USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 869 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 119 GLN : amide:sc= -0.424 X(o=0.41,f=0.63) USER MOD Set 1.2: A 123 THR OG1 : rot 82:sc= 0.832 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -143:sc= -0.421 (180deg=0) USER MOD Set 2.2: A 114 ASN : amide:sc= -2.04 K(o=-2.5,f=-5.3!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.441 F(o=-3.5!,f=-0.44) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN :FLIP amide:sc= -2.08 F(o=-5.3!,f=-2.1) USER MOD Single : A 42 THR OG1 : rot 167:sc= -0.075 USER MOD Single : A 49 ASN : amide:sc= -0.224 K(o=-0.22,f=-8.7!) USER MOD Single : A 51 MET CE :methyl -137:sc= -4.12! (180deg=-5.74!) USER MOD Single : A 61 CYS SG : rot -80:sc= -4.89! USER MOD Single : A 65 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.178 F(o=-4.2!,f=-0.18) USER MOD Single : A 71 SER OG : rot 65:sc= -3.19! USER MOD Single : A 73 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0129 F(o=-1.2,f=-0.013) USER MOD Single : A 80 GLN :FLIP amide:sc= -0.471 F(o=-2.8!,f=-0.47) USER MOD Single : A 81 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.21) USER MOD Single : A 83 HIS : +bothHN:sc= 0.105 K(o=0.1,f=-3.8!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.9!) USER MOD Single : A 90 ASN : amide:sc= -5.09 K(o=-5.1,f=-9.2!) USER MOD Single : A 96 LYS NZ :NH3+ -134:sc= -0.0241 (180deg=-1.93!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 168:sc= -0.0367 (180deg=-0.299) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -0.0139 F(o=-0.54,f=-0.014) USER MOD Single : A 109 ASN : amide:sc= -1.9 K(o=-1.9,f=-4.4!) USER MOD Single : A 115 THR OG1 : rot 180:sc= -2.53! USER MOD Single : A 116 ASN :FLIP amide:sc= -3.08! C(o=-5.7!,f=-3.1!) USER MOD Single : A 117 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-6.4!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.39) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 69:sc= 0.083 USER MOD Single : A 130 GLN : amide:sc= -4.77! C(o=-4.8!,f=-9.3!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -17.573 -5.665 -12.223 1.00 0.00 N ATOM 2 CA MET A 27 -16.540 -5.989 -11.206 1.00 0.00 C ATOM 3 C MET A 27 -15.152 -5.547 -11.666 1.00 0.00 C ATOM 4 O MET A 27 -14.776 -5.763 -12.818 1.00 0.00 O ATOM 5 CB MET A 27 -16.558 -7.499 -10.958 1.00 0.00 C ATOM 6 CG MET A 27 -17.892 -8.015 -10.441 1.00 0.00 C ATOM 7 SD MET A 27 -18.368 -7.262 -8.874 1.00 0.00 S ATOM 8 CE MET A 27 -19.936 -8.073 -8.571 1.00 0.00 C ATOM 0 HA MET A 27 -16.765 -5.453 -10.284 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.314 -8.014 -11.887 1.00 0.00 H new ATOM 0 HB3 MET A 27 -15.778 -7.750 -10.240 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.665 -7.819 -11.184 1.00 0.00 H new ATOM 0 HG3 MET A 27 -17.836 -9.097 -10.318 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.358 -7.711 -7.633 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.624 -7.852 -9.387 1.00 0.00 H new ATOM 0 HE3 MET A 27 -19.782 -9.150 -8.508 1.00 0.00 H new ATOM 20 N PRO A 28 -14.371 -4.919 -10.768 1.00 0.00 N ATOM 21 CA PRO A 28 -13.019 -4.446 -11.091 1.00 0.00 C ATOM 22 C PRO A 28 -12.114 -5.572 -11.579 1.00 0.00 C ATOM 23 O PRO A 28 -12.088 -6.657 -10.996 1.00 0.00 O ATOM 24 CB PRO A 28 -12.503 -3.886 -9.762 1.00 0.00 C ATOM 25 CG PRO A 28 -13.727 -3.588 -8.967 1.00 0.00 C ATOM 26 CD PRO A 28 -14.740 -4.619 -9.373 1.00 0.00 C ATOM 0 HA PRO A 28 -13.029 -3.714 -11.899 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -11.866 -4.608 -9.250 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.905 -2.988 -9.918 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.521 -3.642 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.091 -2.581 -9.172 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.687 -5.506 -8.742 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.758 -4.235 -9.299 1.00 0.00 H new ATOM 34 N GLN A 29 -11.372 -5.306 -12.651 1.00 0.00 N ATOM 35 CA GLN A 29 -10.464 -6.298 -13.218 1.00 0.00 C ATOM 36 C GLN A 29 -9.281 -6.554 -12.285 1.00 0.00 C ATOM 37 O GLN A 29 -9.436 -6.556 -11.064 1.00 0.00 O ATOM 38 CB GLN A 29 -9.969 -5.834 -14.590 1.00 0.00 C ATOM 39 CG GLN A 29 -11.084 -5.621 -15.601 1.00 0.00 C ATOM 40 CD GLN A 29 -10.580 -5.165 -16.959 1.00 0.00 C ATOM 41 OE1 GLN A 29 -9.265 -5.016 -17.092 1.00 0.00 O flip ATOM 42 NE2 GLN A 29 -11.365 -4.949 -17.881 1.00 0.00 N flip ATOM 0 H GLN A 29 -11.382 -4.413 -13.144 1.00 0.00 H new ATOM 0 HA GLN A 29 -11.010 -7.234 -13.336 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.415 -4.903 -14.471 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.270 -6.572 -14.983 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.640 -6.551 -15.720 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.782 -4.880 -15.212 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.367 -5.075 -17.738 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.014 -4.644 -18.789 1.00 0.00 H new ATOM 51 N THR A 30 -8.100 -6.769 -12.865 1.00 0.00 N ATOM 52 CA THR A 30 -6.896 -7.027 -12.081 1.00 0.00 C ATOM 53 C THR A 30 -5.642 -6.581 -12.827 1.00 0.00 C ATOM 54 O THR A 30 -5.499 -6.837 -14.023 1.00 0.00 O ATOM 55 CB THR A 30 -6.751 -8.525 -11.738 1.00 0.00 C ATOM 56 OG1 THR A 30 -6.759 -9.306 -12.938 1.00 0.00 O ATOM 57 CG2 THR A 30 -7.868 -8.992 -10.816 1.00 0.00 C ATOM 0 H THR A 30 -7.953 -6.769 -13.874 1.00 0.00 H new ATOM 0 HA THR A 30 -7.000 -6.453 -11.160 1.00 0.00 H new ATOM 0 HB THR A 30 -5.801 -8.660 -11.220 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.665 -10.255 -12.711 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.737 -10.051 -10.593 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.838 -8.420 -9.889 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.830 -8.840 -11.305 1.00 0.00 H new ATOM 65 N GLU A 31 -4.738 -5.924 -12.099 1.00 0.00 N ATOM 66 CA GLU A 31 -3.475 -5.435 -12.657 1.00 0.00 C ATOM 67 C GLU A 31 -3.680 -4.217 -13.558 1.00 0.00 C ATOM 68 O GLU A 31 -3.024 -3.192 -13.380 1.00 0.00 O ATOM 69 CB GLU A 31 -2.763 -6.545 -13.436 1.00 0.00 C ATOM 70 CG GLU A 31 -2.448 -7.777 -12.602 1.00 0.00 C ATOM 71 CD GLU A 31 -1.499 -7.487 -11.455 1.00 0.00 C ATOM 72 OE1 GLU A 31 -1.864 -6.687 -10.567 1.00 0.00 O ATOM 73 OE2 GLU A 31 -0.389 -8.059 -11.444 1.00 0.00 O ATOM 0 H GLU A 31 -4.860 -5.716 -11.108 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.852 -5.128 -11.817 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.385 -6.839 -14.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.834 -6.149 -13.847 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.376 -8.187 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.011 -8.542 -13.244 1.00 0.00 H new ATOM 80 N ARG A 32 -4.580 -4.334 -14.529 1.00 0.00 N ATOM 81 CA ARG A 32 -4.848 -3.238 -15.452 1.00 0.00 C ATOM 82 C ARG A 32 -5.427 -2.028 -14.724 1.00 0.00 C ATOM 83 O ARG A 32 -4.925 -0.912 -14.859 1.00 0.00 O ATOM 84 CB ARG A 32 -5.809 -3.693 -16.549 1.00 0.00 C ATOM 85 CG ARG A 32 -6.082 -2.625 -17.594 1.00 0.00 C ATOM 86 CD ARG A 32 -7.025 -3.130 -18.670 1.00 0.00 C ATOM 87 NE ARG A 32 -6.478 -4.282 -19.383 1.00 0.00 N ATOM 88 CZ ARG A 32 -7.111 -4.904 -20.373 1.00 0.00 C ATOM 89 NH1 ARG A 32 -8.307 -4.488 -20.767 1.00 0.00 N ATOM 90 NH2 ARG A 32 -6.547 -5.944 -20.971 1.00 0.00 N ATOM 0 H ARG A 32 -5.134 -5.174 -14.697 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.900 -2.943 -15.903 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.397 -4.574 -17.040 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.752 -3.994 -16.093 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -6.513 -1.746 -17.114 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.143 -2.311 -18.049 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.978 -3.403 -18.217 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.228 -2.328 -19.380 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.559 -4.628 -19.106 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.745 -3.688 -20.310 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.789 -4.968 -21.527 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.627 -6.267 -20.672 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.033 -6.421 -21.730 1.00 0.00 H new ATOM 104 N GLN A 33 -6.488 -2.257 -13.958 1.00 0.00 N ATOM 105 CA GLN A 33 -7.141 -1.185 -13.214 1.00 0.00 C ATOM 106 C GLN A 33 -6.360 -0.820 -11.954 1.00 0.00 C ATOM 107 O GLN A 33 -6.285 0.349 -11.581 1.00 0.00 O ATOM 108 CB GLN A 33 -8.568 -1.589 -12.844 1.00 0.00 C ATOM 109 CG GLN A 33 -9.449 -1.881 -14.049 1.00 0.00 C ATOM 110 CD GLN A 33 -10.881 -2.223 -13.673 1.00 0.00 C ATOM 111 OE1 GLN A 33 -11.183 -2.201 -12.378 1.00 0.00 O flip ATOM 112 NE2 GLN A 33 -11.708 -2.503 -14.539 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.915 -3.175 -13.836 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.170 -0.306 -13.859 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.533 -2.473 -12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.022 -0.791 -12.257 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.450 -1.013 -14.709 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.020 -2.710 -14.613 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.435 -2.508 -15.522 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.667 -2.730 -14.274 1.00 0.00 H new ATOM 121 N LEU A 34 -5.797 -1.827 -11.294 1.00 0.00 N ATOM 122 CA LEU A 34 -5.037 -1.611 -10.065 1.00 0.00 C ATOM 123 C LEU A 34 -3.894 -0.618 -10.267 1.00 0.00 C ATOM 124 O LEU A 34 -3.731 0.316 -9.483 1.00 0.00 O ATOM 125 CB LEU A 34 -4.480 -2.940 -9.549 1.00 0.00 C ATOM 126 CG LEU A 34 -5.530 -3.981 -9.154 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.860 -5.283 -8.742 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.406 -3.454 -8.027 1.00 0.00 C ATOM 0 H LEU A 34 -5.852 -2.802 -11.589 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.721 -1.188 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.839 -3.369 -10.319 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.849 -2.739 -8.684 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.163 -4.177 -10.020 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.621 -6.012 -8.464 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.274 -5.670 -9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.204 -5.101 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.147 -4.207 -7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.786 -3.230 -7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.913 -2.547 -8.355 1.00 0.00 H new ATOM 140 N ARG A 35 -3.098 -0.832 -11.309 1.00 0.00 N ATOM 141 CA ARG A 35 -1.962 0.042 -11.593 1.00 0.00 C ATOM 142 C ARG A 35 -2.412 1.462 -11.932 1.00 0.00 C ATOM 143 O ARG A 35 -1.940 2.428 -11.335 1.00 0.00 O ATOM 144 CB ARG A 35 -1.128 -0.528 -12.742 1.00 0.00 C ATOM 145 CG ARG A 35 -0.496 -1.873 -12.427 1.00 0.00 C ATOM 146 CD ARG A 35 0.321 -2.393 -13.599 1.00 0.00 C ATOM 147 NE ARG A 35 -0.494 -2.581 -14.796 1.00 0.00 N ATOM 148 CZ ARG A 35 -0.015 -3.025 -15.953 1.00 0.00 C ATOM 149 NH1 ARG A 35 1.272 -3.326 -16.071 1.00 0.00 N ATOM 150 NH2 ARG A 35 -0.822 -3.170 -16.995 1.00 0.00 N ATOM 0 H ARG A 35 -3.216 -1.600 -11.970 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.352 0.090 -10.691 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.761 -0.631 -13.623 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.342 0.183 -12.996 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.144 -1.779 -11.549 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.275 -2.593 -12.178 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.128 -1.693 -13.817 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.786 -3.340 -13.325 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.488 -2.359 -14.741 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.897 -3.217 -15.272 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.637 -3.667 -16.961 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.812 -2.941 -16.909 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.453 -3.511 -17.883 1.00 0.00 H new ATOM 164 N VAL A 36 -3.319 1.582 -12.894 1.00 0.00 N ATOM 165 CA VAL A 36 -3.822 2.887 -13.315 1.00 0.00 C ATOM 166 C VAL A 36 -4.476 3.636 -12.157 1.00 0.00 C ATOM 167 O VAL A 36 -4.366 4.858 -12.054 1.00 0.00 O ATOM 168 CB VAL A 36 -4.841 2.749 -14.464 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.376 4.113 -14.876 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.211 2.038 -15.653 1.00 0.00 C ATOM 0 H VAL A 36 -3.722 0.792 -13.398 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.960 3.456 -13.664 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.679 2.149 -14.109 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.093 3.992 -15.688 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.868 4.583 -14.024 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.551 4.741 -15.211 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.945 1.949 -16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.354 2.611 -16.007 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.883 1.044 -15.350 1.00 0.00 H new ATOM 180 N TRP A 37 -5.165 2.897 -11.297 1.00 0.00 N ATOM 181 CA TRP A 37 -5.852 3.483 -10.150 1.00 0.00 C ATOM 182 C TRP A 37 -4.884 4.180 -9.191 1.00 0.00 C ATOM 183 O TRP A 37 -4.945 5.398 -9.017 1.00 0.00 O ATOM 184 CB TRP A 37 -6.657 2.393 -9.420 1.00 0.00 C ATOM 185 CG TRP A 37 -6.744 2.563 -7.929 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.972 3.717 -7.235 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.601 1.529 -6.948 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.950 3.468 -5.886 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.737 2.131 -5.683 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.369 0.154 -7.017 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.646 1.405 -4.499 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.281 -0.567 -5.840 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.421 0.060 -4.597 1.00 0.00 C ATOM 0 H TRP A 37 -5.264 1.885 -11.372 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.532 4.250 -10.520 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.667 2.373 -9.828 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.207 1.424 -9.635 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.144 4.685 -7.683 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -7.073 4.166 -5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.260 -0.338 -7.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.749 1.887 -3.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.101 -1.631 -5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.350 -0.531 -3.696 1.00 0.00 H new ATOM 204 N ILE A 38 -4.019 3.405 -8.544 1.00 0.00 N ATOM 205 CA ILE A 38 -3.076 3.957 -7.576 1.00 0.00 C ATOM 206 C ILE A 38 -2.057 4.890 -8.230 1.00 0.00 C ATOM 207 O ILE A 38 -1.852 6.010 -7.763 1.00 0.00 O ATOM 208 CB ILE A 38 -2.341 2.836 -6.819 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.347 1.976 -6.050 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.300 3.421 -5.874 1.00 0.00 C ATOM 211 CD1 ILE A 38 -2.729 0.769 -5.380 1.00 0.00 C ATOM 0 H ILE A 38 -3.951 2.395 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.664 4.542 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.824 2.205 -7.542 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.833 2.591 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.125 1.641 -6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.791 2.613 -5.348 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.572 3.997 -6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.790 4.072 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.502 0.208 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.267 0.131 -6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.971 1.096 -4.668 1.00 0.00 H new ATOM 223 N GLU A 39 -1.422 4.434 -9.306 1.00 0.00 N ATOM 224 CA GLU A 39 -0.434 5.254 -10.000 1.00 0.00 C ATOM 225 C GLU A 39 -1.066 6.553 -10.487 1.00 0.00 C ATOM 226 O GLU A 39 -0.501 7.633 -10.316 1.00 0.00 O ATOM 227 CB GLU A 39 0.173 4.491 -11.179 1.00 0.00 C ATOM 228 CG GLU A 39 0.978 3.269 -10.766 1.00 0.00 C ATOM 229 CD GLU A 39 1.565 2.526 -11.951 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.345 2.968 -13.098 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.245 1.502 -11.731 1.00 0.00 O ATOM 0 H GLU A 39 -1.572 3.511 -9.713 1.00 0.00 H new ATOM 0 HA GLU A 39 0.363 5.493 -9.295 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.628 4.178 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.817 5.165 -11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.784 3.578 -10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.339 2.593 -10.199 1.00 0.00 H new ATOM 238 N GLY A 40 -2.244 6.438 -11.088 1.00 0.00 N ATOM 239 CA GLY A 40 -2.946 7.606 -11.585 1.00 0.00 C ATOM 240 C GLY A 40 -3.447 8.498 -10.464 1.00 0.00 C ATOM 241 O GLY A 40 -3.576 9.710 -10.637 1.00 0.00 O ATOM 0 H GLY A 40 -2.727 5.553 -11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.281 8.178 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.790 7.287 -12.197 1.00 0.00 H new ATOM 245 N ALA A 41 -3.739 7.888 -9.317 1.00 0.00 N ATOM 246 CA ALA A 41 -4.241 8.621 -8.158 1.00 0.00 C ATOM 247 C ALA A 41 -3.373 9.836 -7.845 1.00 0.00 C ATOM 248 O ALA A 41 -3.865 10.963 -7.787 1.00 0.00 O ATOM 249 CB ALA A 41 -4.309 7.700 -6.949 1.00 0.00 C ATOM 0 H ALA A 41 -3.636 6.885 -9.166 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.242 8.980 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.684 8.255 -6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.978 6.867 -7.163 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.313 7.317 -6.727 1.00 0.00 H new ATOM 255 N THR A 42 -2.083 9.600 -7.645 1.00 0.00 N ATOM 256 CA THR A 42 -1.147 10.675 -7.337 1.00 0.00 C ATOM 257 C THR A 42 -0.266 10.997 -8.538 1.00 0.00 C ATOM 258 O THR A 42 -0.123 12.156 -8.929 1.00 0.00 O ATOM 259 CB THR A 42 -0.247 10.308 -6.142 1.00 0.00 C ATOM 260 OG1 THR A 42 0.459 9.093 -6.417 1.00 0.00 O ATOM 261 CG2 THR A 42 -1.071 10.146 -4.874 1.00 0.00 C ATOM 0 H THR A 42 -1.660 8.673 -7.690 1.00 0.00 H new ATOM 0 HA THR A 42 -1.743 11.551 -7.081 1.00 0.00 H new ATOM 0 HB THR A 42 0.468 11.117 -5.991 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.178 8.977 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.414 9.887 -4.044 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.585 11.081 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.806 9.353 -5.016 1.00 0.00 H new ATOM 269 N GLY A 43 0.333 9.958 -9.108 1.00 0.00 N ATOM 270 CA GLY A 43 1.208 10.130 -10.248 1.00 0.00 C ATOM 271 C GLY A 43 2.578 9.554 -9.973 1.00 0.00 C ATOM 272 O GLY A 43 3.597 10.164 -10.295 1.00 0.00 O ATOM 0 H GLY A 43 0.226 8.993 -8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.774 9.643 -11.121 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.297 11.190 -10.486 1.00 0.00 H new ATOM 276 N ARG A 44 2.596 8.377 -9.354 1.00 0.00 N ATOM 277 CA ARG A 44 3.843 7.715 -9.007 1.00 0.00 C ATOM 278 C ARG A 44 3.851 6.266 -9.477 1.00 0.00 C ATOM 279 O ARG A 44 2.937 5.498 -9.173 1.00 0.00 O ATOM 280 CB ARG A 44 4.049 7.762 -7.491 1.00 0.00 C ATOM 281 CG ARG A 44 3.975 9.161 -6.908 1.00 0.00 C ATOM 282 CD ARG A 44 5.022 10.063 -7.528 1.00 0.00 C ATOM 283 NE ARG A 44 4.911 11.442 -7.060 1.00 0.00 N ATOM 284 CZ ARG A 44 5.715 12.423 -7.459 1.00 0.00 C ATOM 285 NH1 ARG A 44 6.684 12.178 -8.330 1.00 0.00 N ATOM 286 NH2 ARG A 44 5.548 13.651 -6.988 1.00 0.00 N ATOM 0 H ARG A 44 1.757 7.864 -9.083 1.00 0.00 H new ATOM 0 HA ARG A 44 4.655 8.241 -9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.295 7.138 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.020 7.329 -7.252 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.983 9.578 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.120 9.117 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.015 9.680 -7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.922 10.040 -8.613 1.00 0.00 H new ATOM 0 HE ARG A 44 4.175 11.665 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.814 11.235 -8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.299 12.933 -8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.802 13.844 -6.319 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.165 14.403 -7.294 1.00 0.00 H new ATOM 300 N ARG A 45 4.896 5.895 -10.206 1.00 0.00 N ATOM 301 CA ARG A 45 5.036 4.533 -10.704 1.00 0.00 C ATOM 302 C ARG A 45 5.547 3.619 -9.597 1.00 0.00 C ATOM 303 O ARG A 45 6.498 3.959 -8.893 1.00 0.00 O ATOM 304 CB ARG A 45 5.990 4.497 -11.899 1.00 0.00 C ATOM 305 CG ARG A 45 5.532 5.348 -13.073 1.00 0.00 C ATOM 306 CD ARG A 45 4.208 4.857 -13.639 1.00 0.00 C ATOM 307 NE ARG A 45 4.293 3.482 -14.125 1.00 0.00 N ATOM 308 CZ ARG A 45 5.075 3.099 -15.131 1.00 0.00 C ATOM 309 NH1 ARG A 45 5.827 3.986 -15.769 1.00 0.00 N ATOM 310 NH2 ARG A 45 5.102 1.826 -15.502 1.00 0.00 N ATOM 0 H ARG A 45 5.660 6.519 -10.466 1.00 0.00 H new ATOM 0 HA ARG A 45 4.057 4.180 -11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.974 4.837 -11.577 1.00 0.00 H new ATOM 0 HB3 ARG A 45 6.103 3.465 -12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.429 6.385 -12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.292 5.329 -13.855 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.439 4.922 -12.869 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.898 5.511 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 45 3.719 2.774 -13.666 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.807 4.967 -15.489 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.425 3.687 -16.540 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.523 1.141 -15.016 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.701 1.532 -16.273 1.00 0.00 H new ATOM 324 N ILE A 46 4.913 2.462 -9.444 1.00 0.00 N ATOM 325 CA ILE A 46 5.309 1.509 -8.415 1.00 0.00 C ATOM 326 C ILE A 46 6.793 1.166 -8.531 1.00 0.00 C ATOM 327 O ILE A 46 7.539 1.259 -7.556 1.00 0.00 O ATOM 328 CB ILE A 46 4.480 0.211 -8.506 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.987 0.526 -8.378 1.00 0.00 C ATOM 330 CG2 ILE A 46 4.914 -0.773 -7.430 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.095 -0.691 -8.511 1.00 0.00 C ATOM 0 H ILE A 46 4.125 2.162 -10.018 1.00 0.00 H new ATOM 0 HA ILE A 46 5.123 1.981 -7.451 1.00 0.00 H new ATOM 0 HB ILE A 46 4.655 -0.247 -9.479 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.805 0.995 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.711 1.253 -9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.319 -1.683 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.968 -1.016 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.766 -0.326 -6.447 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.052 -0.391 -8.410 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.247 -1.149 -9.488 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.343 -1.411 -7.731 1.00 0.00 H new ATOM 343 N GLY A 47 7.212 0.777 -9.731 1.00 0.00 N ATOM 344 CA GLY A 47 8.605 0.434 -9.958 1.00 0.00 C ATOM 345 C GLY A 47 8.772 -0.626 -11.029 1.00 0.00 C ATOM 346 O GLY A 47 7.972 -0.705 -11.961 1.00 0.00 O ATOM 0 H GLY A 47 6.612 0.693 -10.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.154 1.330 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.045 0.078 -9.027 1.00 0.00 H new ATOM 350 N ASP A 48 9.806 -1.451 -10.888 1.00 0.00 N ATOM 351 CA ASP A 48 10.063 -2.519 -11.847 1.00 0.00 C ATOM 352 C ASP A 48 9.112 -3.685 -11.605 1.00 0.00 C ATOM 353 O ASP A 48 8.367 -4.089 -12.498 1.00 0.00 O ATOM 354 CB ASP A 48 11.513 -2.993 -11.742 1.00 0.00 C ATOM 355 CG ASP A 48 11.832 -4.103 -12.724 1.00 0.00 C ATOM 356 OD1 ASP A 48 11.699 -3.873 -13.943 1.00 0.00 O ATOM 357 OD2 ASP A 48 12.215 -5.203 -12.273 1.00 0.00 O ATOM 0 H ASP A 48 10.477 -1.400 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 48 9.895 -2.130 -12.851 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.181 -2.151 -11.921 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.705 -3.343 -10.728 1.00 0.00 H new ATOM 362 N ASN A 49 9.139 -4.212 -10.385 1.00 0.00 N ATOM 363 CA ASN A 49 8.274 -5.323 -10.008 1.00 0.00 C ATOM 364 C ASN A 49 6.989 -4.797 -9.377 1.00 0.00 C ATOM 365 O ASN A 49 7.012 -3.811 -8.639 1.00 0.00 O ATOM 366 CB ASN A 49 8.997 -6.255 -9.036 1.00 0.00 C ATOM 367 CG ASN A 49 8.205 -7.513 -8.736 1.00 0.00 C ATOM 368 OD1 ASN A 49 7.095 -7.453 -8.209 1.00 0.00 O ATOM 369 ND2 ASN A 49 8.776 -8.665 -9.073 1.00 0.00 N ATOM 0 H ASN A 49 9.753 -3.886 -9.639 1.00 0.00 H new ATOM 0 HA ASN A 49 8.020 -5.887 -10.905 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.965 -6.531 -9.455 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.192 -5.722 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.292 -9.545 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.698 -8.669 -9.508 1.00 0.00 H new ATOM 376 N PHE A 50 5.873 -5.449 -9.675 1.00 0.00 N ATOM 377 CA PHE A 50 4.583 -5.034 -9.139 1.00 0.00 C ATOM 378 C PHE A 50 4.576 -5.064 -7.612 1.00 0.00 C ATOM 379 O PHE A 50 4.207 -4.083 -6.967 1.00 0.00 O ATOM 380 CB PHE A 50 3.471 -5.935 -9.682 1.00 0.00 C ATOM 381 CG PHE A 50 2.095 -5.539 -9.228 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.642 -4.238 -9.390 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.252 -6.468 -8.639 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.376 -3.873 -8.974 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.014 -6.109 -8.222 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.454 -4.809 -8.389 1.00 0.00 C ATOM 0 H PHE A 50 5.835 -6.266 -10.284 1.00 0.00 H new ATOM 0 HA PHE A 50 4.406 -4.007 -9.458 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.503 -5.919 -10.771 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.664 -6.962 -9.372 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.287 -3.502 -9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.590 -7.485 -8.505 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.036 -2.857 -9.106 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.661 -6.844 -7.765 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.444 -4.526 -8.063 1.00 0.00 H new ATOM 396 N MET A 51 4.972 -6.197 -7.039 1.00 0.00 N ATOM 397 CA MET A 51 4.997 -6.357 -5.586 1.00 0.00 C ATOM 398 C MET A 51 6.193 -5.649 -4.966 1.00 0.00 C ATOM 399 O MET A 51 6.045 -4.846 -4.046 1.00 0.00 O ATOM 400 CB MET A 51 5.045 -7.839 -5.224 1.00 0.00 C ATOM 401 CG MET A 51 4.052 -8.670 -5.999 1.00 0.00 C ATOM 402 SD MET A 51 2.355 -8.140 -5.716 1.00 0.00 S ATOM 403 CE MET A 51 1.474 -9.374 -6.657 1.00 0.00 C ATOM 0 H MET A 51 5.280 -7.019 -7.558 1.00 0.00 H new ATOM 0 HA MET A 51 4.087 -5.906 -5.189 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.050 -8.219 -5.408 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.851 -7.953 -4.157 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.279 -8.605 -7.063 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.156 -9.717 -5.714 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.675 -8.897 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.162 -9.868 -7.343 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.046 -10.112 -5.979 1.00 0.00 H new ATOM 413 N ASP A 52 7.379 -5.968 -5.471 1.00 0.00 N ATOM 414 CA ASP A 52 8.611 -5.381 -4.965 1.00 0.00 C ATOM 415 C ASP A 52 8.514 -3.860 -4.896 1.00 0.00 C ATOM 416 O ASP A 52 8.944 -3.244 -3.922 1.00 0.00 O ATOM 417 CB ASP A 52 9.785 -5.794 -5.848 1.00 0.00 C ATOM 418 CG ASP A 52 9.976 -7.299 -5.899 1.00 0.00 C ATOM 419 OD1 ASP A 52 9.194 -8.021 -5.245 1.00 0.00 O ATOM 420 OD2 ASP A 52 10.909 -7.755 -6.592 1.00 0.00 O ATOM 0 H ASP A 52 7.512 -6.633 -6.233 1.00 0.00 H new ATOM 0 HA ASP A 52 8.773 -5.752 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.625 -5.417 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.697 -5.328 -5.475 1.00 0.00 H new ATOM 425 N GLY A 53 7.942 -3.257 -5.930 1.00 0.00 N ATOM 426 CA GLY A 53 7.799 -1.815 -5.951 1.00 0.00 C ATOM 427 C GLY A 53 6.906 -1.307 -4.835 1.00 0.00 C ATOM 428 O GLY A 53 7.202 -0.291 -4.210 1.00 0.00 O ATOM 0 H GLY A 53 7.576 -3.739 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.783 -1.354 -5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.386 -1.507 -6.912 1.00 0.00 H new ATOM 432 N LEU A 54 5.808 -2.019 -4.593 1.00 0.00 N ATOM 433 CA LEU A 54 4.851 -1.648 -3.552 1.00 0.00 C ATOM 434 C LEU A 54 5.509 -1.557 -2.176 1.00 0.00 C ATOM 435 O LEU A 54 5.068 -0.788 -1.322 1.00 0.00 O ATOM 436 CB LEU A 54 3.703 -2.660 -3.506 1.00 0.00 C ATOM 437 CG LEU A 54 2.801 -2.679 -4.741 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.822 -3.839 -4.668 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.051 -1.363 -4.874 1.00 0.00 C ATOM 0 H LEU A 54 5.557 -2.863 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 54 4.464 -0.661 -3.804 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.123 -3.656 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.089 -2.449 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 54 3.429 -2.810 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.188 -3.837 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.373 -4.778 -4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.201 -3.736 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.414 -1.395 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.435 -1.204 -3.989 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.765 -0.545 -4.971 1.00 0.00 H new ATOM 451 N LYS A 55 6.550 -2.357 -1.961 1.00 0.00 N ATOM 452 CA LYS A 55 7.252 -2.380 -0.682 1.00 0.00 C ATOM 453 C LYS A 55 7.579 -0.974 -0.177 1.00 0.00 C ATOM 454 O LYS A 55 7.637 -0.746 1.031 1.00 0.00 O ATOM 455 CB LYS A 55 8.533 -3.202 -0.802 1.00 0.00 C ATOM 456 CG LYS A 55 8.294 -4.606 -1.329 1.00 0.00 C ATOM 457 CD LYS A 55 9.568 -5.434 -1.333 1.00 0.00 C ATOM 458 CE LYS A 55 10.661 -4.787 -2.169 1.00 0.00 C ATOM 459 NZ LYS A 55 11.907 -5.601 -2.180 1.00 0.00 N ATOM 0 H LYS A 55 6.926 -2.999 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 55 6.586 -2.842 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.228 -2.686 -1.464 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.011 -3.264 0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.541 -5.101 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.894 -4.551 -2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.921 -5.562 -0.310 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.353 -6.429 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.306 -4.654 -3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.879 -3.794 -1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.734 -4.970 -2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.928 -6.215 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.931 -6.187 -3.039 1.00 0.00 H new ATOM 473 N ASP A 56 7.798 -0.036 -1.095 1.00 0.00 N ATOM 474 CA ASP A 56 8.123 1.335 -0.710 1.00 0.00 C ATOM 475 C ASP A 56 7.076 1.887 0.253 1.00 0.00 C ATOM 476 O ASP A 56 7.409 2.564 1.226 1.00 0.00 O ATOM 477 CB ASP A 56 8.230 2.236 -1.940 1.00 0.00 C ATOM 478 CG ASP A 56 6.881 2.524 -2.570 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.166 1.561 -2.917 1.00 0.00 O ATOM 480 OD2 ASP A 56 6.538 3.716 -2.718 1.00 0.00 O ATOM 0 H ASP A 56 7.757 -0.197 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 56 9.089 1.320 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.703 3.176 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.878 1.762 -2.678 1.00 0.00 H new ATOM 485 N GLY A 57 5.809 1.584 -0.020 1.00 0.00 N ATOM 486 CA GLY A 57 4.732 2.048 0.836 1.00 0.00 C ATOM 487 C GLY A 57 4.360 3.499 0.596 1.00 0.00 C ATOM 488 O GLY A 57 3.228 3.894 0.847 1.00 0.00 O ATOM 0 H GLY A 57 5.510 1.025 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.854 1.423 0.675 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.025 1.923 1.878 1.00 0.00 H new ATOM 492 N VAL A 58 5.317 4.292 0.130 1.00 0.00 N ATOM 493 CA VAL A 58 5.095 5.712 -0.129 1.00 0.00 C ATOM 494 C VAL A 58 3.891 5.952 -1.033 1.00 0.00 C ATOM 495 O VAL A 58 2.940 6.626 -0.643 1.00 0.00 O ATOM 496 CB VAL A 58 6.328 6.351 -0.794 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.097 7.834 -1.047 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.567 6.135 0.060 1.00 0.00 C ATOM 0 H VAL A 58 6.263 3.973 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 58 4.908 6.170 0.842 1.00 0.00 H new ATOM 0 HB VAL A 58 6.488 5.866 -1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.981 8.265 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.237 7.961 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.907 8.339 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.428 6.593 -0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.418 6.590 1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.744 5.066 0.180 1.00 0.00 H new ATOM 508 N ILE A 59 3.946 5.413 -2.249 1.00 0.00 N ATOM 509 CA ILE A 59 2.865 5.595 -3.210 1.00 0.00 C ATOM 510 C ILE A 59 1.534 5.106 -2.652 1.00 0.00 C ATOM 511 O ILE A 59 0.540 5.831 -2.684 1.00 0.00 O ATOM 512 CB ILE A 59 3.160 4.868 -4.539 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.491 5.358 -5.120 1.00 0.00 C ATOM 514 CG2 ILE A 59 2.023 5.091 -5.528 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.848 4.739 -6.455 1.00 0.00 C ATOM 0 H ILE A 59 4.725 4.849 -2.590 1.00 0.00 H new ATOM 0 HA ILE A 59 2.796 6.666 -3.402 1.00 0.00 H new ATOM 0 HB ILE A 59 3.239 3.798 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.449 6.441 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.287 5.143 -4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.245 4.572 -6.461 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.095 4.703 -5.109 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.914 6.158 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.803 5.138 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.925 3.657 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.073 4.976 -7.185 1.00 0.00 H new ATOM 527 N LEU A 60 1.515 3.884 -2.126 1.00 0.00 N ATOM 528 CA LEU A 60 0.294 3.335 -1.549 1.00 0.00 C ATOM 529 C LEU A 60 -0.174 4.225 -0.410 1.00 0.00 C ATOM 530 O LEU A 60 -1.366 4.496 -0.261 1.00 0.00 O ATOM 531 CB LEU A 60 0.521 1.904 -1.062 1.00 0.00 C ATOM 532 CG LEU A 60 0.899 0.907 -2.160 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.017 -0.497 -1.589 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.121 0.946 -3.291 1.00 0.00 C ATOM 0 H LEU A 60 2.322 3.262 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.480 3.305 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.310 1.912 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.386 1.554 -0.569 1.00 0.00 H new ATOM 0 HG LEU A 60 1.870 1.192 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.286 -1.192 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.787 -0.513 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.062 -0.795 -1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.164 0.231 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.106 0.687 -2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.152 1.948 -3.719 1.00 0.00 H new ATOM 546 N CYS A 61 0.787 4.710 0.366 1.00 0.00 N ATOM 547 CA CYS A 61 0.507 5.610 1.470 1.00 0.00 C ATOM 548 C CYS A 61 -0.175 6.860 0.934 1.00 0.00 C ATOM 549 O CYS A 61 -1.098 7.396 1.545 1.00 0.00 O ATOM 550 CB CYS A 61 1.808 5.976 2.194 1.00 0.00 C ATOM 551 SG CYS A 61 1.789 7.606 2.974 1.00 0.00 S ATOM 0 H CYS A 61 1.776 4.490 0.246 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.154 5.119 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.011 5.223 2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.631 5.937 1.480 1.00 0.00 H new ATOM 0 HG CYS A 61 2.015 8.519 2.077 1.00 0.00 H new ATOM 557 N GLU A 62 0.291 7.301 -0.229 1.00 0.00 N ATOM 558 CA GLU A 62 -0.254 8.471 -0.896 1.00 0.00 C ATOM 559 C GLU A 62 -1.682 8.209 -1.374 1.00 0.00 C ATOM 560 O GLU A 62 -2.544 9.084 -1.292 1.00 0.00 O ATOM 561 CB GLU A 62 0.641 8.846 -2.080 1.00 0.00 C ATOM 562 CG GLU A 62 2.033 9.296 -1.668 1.00 0.00 C ATOM 563 CD GLU A 62 2.880 9.736 -2.847 1.00 0.00 C ATOM 564 OE1 GLU A 62 2.380 9.685 -3.991 1.00 0.00 O ATOM 565 OE2 GLU A 62 4.045 10.132 -2.627 1.00 0.00 O ATOM 0 H GLU A 62 1.057 6.855 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.283 9.298 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.727 7.988 -2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.163 9.644 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.949 10.120 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.536 8.479 -1.150 1.00 0.00 H new ATOM 572 N LEU A 63 -1.920 6.998 -1.874 1.00 0.00 N ATOM 573 CA LEU A 63 -3.234 6.611 -2.368 1.00 0.00 C ATOM 574 C LEU A 63 -4.278 6.693 -1.261 1.00 0.00 C ATOM 575 O LEU A 63 -5.267 7.418 -1.379 1.00 0.00 O ATOM 576 CB LEU A 63 -3.157 5.187 -2.934 1.00 0.00 C ATOM 577 CG LEU A 63 -4.448 4.621 -3.534 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.424 4.202 -2.445 1.00 0.00 C ATOM 579 CD2 LEU A 63 -5.096 5.630 -4.471 1.00 0.00 C ATOM 0 H LEU A 63 -1.213 6.266 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.537 7.300 -3.157 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.385 5.167 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.830 4.520 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.185 3.734 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.330 3.804 -2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.966 3.435 -1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.676 5.066 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.011 5.206 -4.885 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -5.335 6.539 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.407 5.868 -5.281 1.00 0.00 H new ATOM 591 N ILE A 64 -4.049 5.949 -0.185 1.00 0.00 N ATOM 592 CA ILE A 64 -4.969 5.939 0.945 1.00 0.00 C ATOM 593 C ILE A 64 -5.039 7.316 1.593 1.00 0.00 C ATOM 594 O ILE A 64 -6.074 7.715 2.121 1.00 0.00 O ATOM 595 CB ILE A 64 -4.553 4.899 2.004 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.584 4.834 3.129 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.174 5.220 2.558 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.948 4.358 2.679 1.00 0.00 C ATOM 0 H ILE A 64 -3.235 5.345 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.951 5.668 0.558 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.509 3.921 1.524 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.216 4.168 3.909 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.684 5.823 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.899 4.474 3.304 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.445 5.209 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.188 6.207 3.020 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.626 4.338 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.338 5.037 1.921 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.863 3.356 2.259 1.00 0.00 H new ATOM 610 N ASN A 65 -3.926 8.036 1.548 1.00 0.00 N ATOM 611 CA ASN A 65 -3.849 9.371 2.127 1.00 0.00 C ATOM 612 C ASN A 65 -4.927 10.278 1.539 1.00 0.00 C ATOM 613 O ASN A 65 -5.460 11.151 2.225 1.00 0.00 O ATOM 614 CB ASN A 65 -2.465 9.971 1.869 1.00 0.00 C ATOM 615 CG ASN A 65 -2.218 11.238 2.656 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.947 12.221 2.527 1.00 0.00 O ATOM 617 ND2 ASN A 65 -1.173 11.219 3.475 1.00 0.00 N ATOM 0 H ASN A 65 -3.060 7.716 1.114 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.013 9.292 3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.702 9.236 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.359 10.183 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.946 12.043 4.031 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.598 10.380 3.548 1.00 0.00 H new ATOM 624 N LYS A 66 -5.239 10.065 0.264 1.00 0.00 N ATOM 625 CA LYS A 66 -6.240 10.854 -0.428 1.00 0.00 C ATOM 626 C LYS A 66 -7.650 10.409 -0.054 1.00 0.00 C ATOM 627 O LYS A 66 -8.490 11.226 0.327 1.00 0.00 O ATOM 628 CB LYS A 66 -6.038 10.715 -1.934 1.00 0.00 C ATOM 629 CG LYS A 66 -4.686 11.199 -2.422 1.00 0.00 C ATOM 630 CD LYS A 66 -4.497 12.682 -2.155 1.00 0.00 C ATOM 631 CE LYS A 66 -3.194 13.183 -2.748 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.994 14.638 -2.507 1.00 0.00 N ATOM 0 H LYS A 66 -4.805 9.343 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.125 11.896 -0.130 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.159 9.668 -2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.820 11.274 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.896 10.635 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.593 11.006 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.331 13.240 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.505 12.865 -1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.362 12.626 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.186 12.989 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.092 14.939 -2.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.774 15.172 -2.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.976 14.821 -1.483 1.00 0.00 H new ATOM 646 N LEU A 67 -7.901 9.111 -0.174 1.00 0.00 N ATOM 647 CA LEU A 67 -9.209 8.548 0.140 1.00 0.00 C ATOM 648 C LEU A 67 -9.534 8.718 1.619 1.00 0.00 C ATOM 649 O LEU A 67 -10.541 9.326 1.980 1.00 0.00 O ATOM 650 CB LEU A 67 -9.239 7.064 -0.231 1.00 0.00 C ATOM 651 CG LEU A 67 -8.823 6.751 -1.671 1.00 0.00 C ATOM 652 CD1 LEU A 67 -8.791 5.248 -1.899 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.766 7.421 -2.659 1.00 0.00 C ATOM 0 H LEU A 67 -7.213 8.426 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.961 9.083 -0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.581 6.521 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.248 6.684 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.820 7.147 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.494 5.042 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.075 4.792 -1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.782 4.831 -1.718 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.453 7.186 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.781 7.057 -2.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.741 8.501 -2.511 1.00 0.00 H new ATOM 665 N GLN A 68 -8.672 8.174 2.470 1.00 0.00 N ATOM 666 CA GLN A 68 -8.858 8.261 3.911 1.00 0.00 C ATOM 667 C GLN A 68 -8.074 9.434 4.496 1.00 0.00 C ATOM 668 O GLN A 68 -6.913 9.654 4.150 1.00 0.00 O ATOM 669 CB GLN A 68 -8.431 6.954 4.584 1.00 0.00 C ATOM 670 CG GLN A 68 -8.552 6.986 6.100 1.00 0.00 C ATOM 671 CD GLN A 68 -8.097 5.697 6.762 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.665 4.728 5.961 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.133 5.573 7.987 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.835 7.666 2.184 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.918 8.429 4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.041 6.138 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.398 6.736 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.960 7.815 6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.590 7.180 6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.471 6.340 8.568 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.824 4.703 8.421 1.00 0.00 H new ATOM 682 N PRO A 69 -8.707 10.203 5.394 1.00 0.00 N ATOM 683 CA PRO A 69 -8.080 11.357 6.038 1.00 0.00 C ATOM 684 C PRO A 69 -7.010 10.958 7.050 1.00 0.00 C ATOM 685 O PRO A 69 -7.227 10.074 7.880 1.00 0.00 O ATOM 686 CB PRO A 69 -9.246 12.040 6.745 1.00 0.00 C ATOM 687 CG PRO A 69 -10.229 10.961 6.993 1.00 0.00 C ATOM 688 CD PRO A 69 -10.087 10.001 5.851 1.00 0.00 C ATOM 0 HA PRO A 69 -7.563 11.990 5.317 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.925 12.504 7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.674 12.830 6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -10.034 10.467 7.945 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -11.242 11.360 7.043 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.257 8.972 6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.806 10.212 5.059 1.00 0.00 H new ATOM 696 N GLY A 70 -5.860 11.622 6.979 1.00 0.00 N ATOM 697 CA GLY A 70 -4.771 11.333 7.896 1.00 0.00 C ATOM 698 C GLY A 70 -4.399 9.863 7.921 1.00 0.00 C ATOM 699 O GLY A 70 -4.092 9.311 8.977 1.00 0.00 O ATOM 0 H GLY A 70 -5.662 12.357 6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.897 11.920 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.054 11.649 8.900 1.00 0.00 H new ATOM 703 N SER A 71 -4.426 9.230 6.754 1.00 0.00 N ATOM 704 CA SER A 71 -4.090 7.814 6.642 1.00 0.00 C ATOM 705 C SER A 71 -2.659 7.551 7.099 1.00 0.00 C ATOM 706 O SER A 71 -2.389 6.567 7.786 1.00 0.00 O ATOM 707 CB SER A 71 -4.263 7.341 5.199 1.00 0.00 C ATOM 708 OG SER A 71 -5.585 7.555 4.748 1.00 0.00 O ATOM 0 H SER A 71 -4.677 9.674 5.871 1.00 0.00 H new ATOM 0 HA SER A 71 -4.768 7.258 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.565 7.873 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.019 6.281 5.129 1.00 0.00 H new ATOM 0 HG SER A 71 -5.769 8.517 4.717 1.00 0.00 H new ATOM 714 N VAL A 72 -1.746 8.434 6.705 1.00 0.00 N ATOM 715 CA VAL A 72 -0.340 8.291 7.066 1.00 0.00 C ATOM 716 C VAL A 72 0.290 9.645 7.370 1.00 0.00 C ATOM 717 O VAL A 72 0.067 10.620 6.653 1.00 0.00 O ATOM 718 CB VAL A 72 0.466 7.621 5.935 1.00 0.00 C ATOM 719 CG1 VAL A 72 1.912 7.412 6.359 1.00 0.00 C ATOM 720 CG2 VAL A 72 -0.170 6.303 5.514 1.00 0.00 C ATOM 0 H VAL A 72 -1.955 9.255 6.137 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.308 7.662 7.956 1.00 0.00 H new ATOM 0 HB VAL A 72 0.454 8.287 5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.464 6.938 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.366 8.375 6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.944 6.773 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.420 5.853 4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.202 5.625 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.184 6.486 5.158 1.00 0.00 H new ATOM 730 N GLN A 73 1.089 9.695 8.435 1.00 0.00 N ATOM 731 CA GLN A 73 1.764 10.926 8.829 1.00 0.00 C ATOM 732 C GLN A 73 2.840 11.297 7.806 1.00 0.00 C ATOM 733 O GLN A 73 2.624 11.175 6.600 1.00 0.00 O ATOM 734 CB GLN A 73 2.376 10.766 10.221 1.00 0.00 C ATOM 735 CG GLN A 73 3.365 9.618 10.318 1.00 0.00 C ATOM 736 CD GLN A 73 4.016 9.503 11.686 1.00 0.00 C ATOM 737 OE1 GLN A 73 3.648 10.392 12.604 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 4.843 8.621 11.916 1.00 0.00 N flip ATOM 0 H GLN A 73 1.283 8.896 9.039 1.00 0.00 H new ATOM 0 HA GLN A 73 1.032 11.733 8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 73 2.879 11.693 10.497 1.00 0.00 H new ATOM 0 HB3 GLN A 73 1.577 10.609 10.945 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.852 8.684 10.087 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.141 9.750 9.564 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.098 7.958 11.184 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.273 8.553 12.838 1.00 0.00 H new ATOM 747 N LYS A 74 3.999 11.745 8.284 1.00 0.00 N ATOM 748 CA LYS A 74 5.091 12.121 7.393 1.00 0.00 C ATOM 749 C LYS A 74 5.568 10.915 6.592 1.00 0.00 C ATOM 750 O LYS A 74 5.935 9.886 7.160 1.00 0.00 O ATOM 751 CB LYS A 74 6.255 12.709 8.196 1.00 0.00 C ATOM 752 CG LYS A 74 5.900 13.958 8.994 1.00 0.00 C ATOM 753 CD LYS A 74 5.749 15.193 8.111 1.00 0.00 C ATOM 754 CE LYS A 74 4.442 15.190 7.331 1.00 0.00 C ATOM 755 NZ LYS A 74 4.297 16.406 6.484 1.00 0.00 N ATOM 0 H LYS A 74 4.204 11.856 9.277 1.00 0.00 H new ATOM 0 HA LYS A 74 4.722 12.877 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.629 11.948 8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.069 12.949 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.970 13.787 9.536 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.674 14.141 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.797 16.088 8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.585 15.243 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.397 14.302 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.605 15.130 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.394 16.365 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.314 17.253 7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.082 16.450 5.803 1.00 0.00 H new ATOM 769 N VAL A 75 5.554 11.044 5.270 1.00 0.00 N ATOM 770 CA VAL A 75 5.981 9.961 4.391 1.00 0.00 C ATOM 771 C VAL A 75 7.502 9.862 4.328 1.00 0.00 C ATOM 772 O VAL A 75 8.187 10.847 4.051 1.00 0.00 O ATOM 773 CB VAL A 75 5.431 10.147 2.963 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.870 8.997 2.071 1.00 0.00 C ATOM 775 CG2 VAL A 75 3.915 10.268 2.984 1.00 0.00 C ATOM 0 H VAL A 75 5.252 11.888 4.783 1.00 0.00 H new ATOM 0 HA VAL A 75 5.580 9.039 4.813 1.00 0.00 H new ATOM 0 HB VAL A 75 5.838 11.071 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.473 9.144 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.959 8.964 2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.493 8.058 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.546 10.399 1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.484 9.363 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.627 11.129 3.588 1.00 0.00 H new ATOM 785 N ASN A 76 8.022 8.665 4.578 1.00 0.00 N ATOM 786 CA ASN A 76 9.461 8.432 4.541 1.00 0.00 C ATOM 787 C ASN A 76 9.909 8.023 3.142 1.00 0.00 C ATOM 788 O ASN A 76 9.302 7.151 2.518 1.00 0.00 O ATOM 789 CB ASN A 76 9.852 7.347 5.545 1.00 0.00 C ATOM 790 CG ASN A 76 9.483 7.709 6.970 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.683 6.860 7.605 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 9.914 8.735 7.494 1.00 0.00 N flip ATOM 0 H ASN A 76 7.468 7.840 4.809 1.00 0.00 H new ATOM 0 HA ASN A 76 9.959 9.364 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.362 6.412 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 76 10.926 7.172 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.526 9.358 6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.659 8.963 8.455 1.00 0.00 H new ATOM 799 N ASP A 77 10.977 8.646 2.656 1.00 0.00 N ATOM 800 CA ASP A 77 11.505 8.331 1.333 1.00 0.00 C ATOM 801 C ASP A 77 12.034 6.899 1.298 1.00 0.00 C ATOM 802 O ASP A 77 12.719 6.464 2.222 1.00 0.00 O ATOM 803 CB ASP A 77 12.619 9.310 0.957 1.00 0.00 C ATOM 804 CG ASP A 77 12.137 10.747 0.918 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.222 11.045 0.122 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.676 11.576 1.682 1.00 0.00 O ATOM 0 H ASP A 77 11.493 9.370 3.156 1.00 0.00 H new ATOM 0 HA ASP A 77 10.696 8.424 0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.434 9.222 1.676 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.024 9.039 -0.018 1.00 0.00 H new ATOM 811 N PRO A 78 11.716 6.139 0.236 1.00 0.00 N ATOM 812 CA PRO A 78 12.161 4.749 0.100 1.00 0.00 C ATOM 813 C PRO A 78 13.636 4.635 -0.283 1.00 0.00 C ATOM 814 O PRO A 78 14.018 3.762 -1.063 1.00 0.00 O ATOM 815 CB PRO A 78 11.271 4.215 -1.021 1.00 0.00 C ATOM 816 CG PRO A 78 10.988 5.406 -1.865 1.00 0.00 C ATOM 817 CD PRO A 78 10.893 6.568 -0.913 1.00 0.00 C ATOM 0 HA PRO A 78 12.078 4.198 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.775 3.434 -1.591 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.353 3.780 -0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.780 5.564 -2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.060 5.279 -2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.275 7.486 -1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.862 6.762 -0.618 1.00 0.00 H new ATOM 825 N VAL A 79 14.463 5.521 0.270 1.00 0.00 N ATOM 826 CA VAL A 79 15.893 5.514 -0.015 1.00 0.00 C ATOM 827 C VAL A 79 16.607 4.426 0.782 1.00 0.00 C ATOM 828 O VAL A 79 17.290 3.573 0.216 1.00 0.00 O ATOM 829 CB VAL A 79 16.537 6.875 0.313 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.012 6.877 -0.062 1.00 0.00 C ATOM 831 CG2 VAL A 79 15.797 8.001 -0.392 1.00 0.00 C ATOM 0 H VAL A 79 14.166 6.251 0.917 1.00 0.00 H new ATOM 0 HA VAL A 79 16.002 5.314 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 79 16.462 7.040 1.388 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.447 7.847 0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.531 6.098 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.116 6.687 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.267 8.954 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 79 15.836 7.843 -1.470 1.00 0.00 H new ATOM 0 HG23 VAL A 79 14.758 8.014 -0.064 1.00 0.00 H new ATOM 841 N GLN A 80 16.441 4.467 2.100 1.00 0.00 N ATOM 842 CA GLN A 80 17.064 3.489 2.986 1.00 0.00 C ATOM 843 C GLN A 80 16.380 2.128 2.865 1.00 0.00 C ATOM 844 O GLN A 80 16.221 1.604 1.763 1.00 0.00 O ATOM 845 CB GLN A 80 17.022 3.989 4.433 1.00 0.00 C ATOM 846 CG GLN A 80 17.791 5.283 4.653 1.00 0.00 C ATOM 847 CD GLN A 80 19.293 5.129 4.469 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.751 3.898 4.258 1.00 0.00 O flip ATOM 849 NE2 GLN A 80 20.036 6.107 4.528 1.00 0.00 N flip ATOM 0 H GLN A 80 15.878 5.169 2.580 1.00 0.00 H new ATOM 0 HA GLN A 80 18.105 3.367 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 80 15.983 4.139 4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 80 17.430 3.218 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 80 17.423 6.039 3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 80 17.591 5.650 5.660 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.646 7.035 4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.043 5.990 4.413 1.00 0.00 H new ATOM 858 N ASN A 81 15.978 1.556 4.000 1.00 0.00 N ATOM 859 CA ASN A 81 15.317 0.256 4.002 1.00 0.00 C ATOM 860 C ASN A 81 14.183 0.221 5.022 1.00 0.00 C ATOM 861 O ASN A 81 13.070 -0.203 4.708 1.00 0.00 O ATOM 862 CB ASN A 81 16.325 -0.853 4.311 1.00 0.00 C ATOM 863 CG ASN A 81 17.456 -0.904 3.303 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.231 -1.098 2.109 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.683 -0.730 3.782 1.00 0.00 N ATOM 0 H ASN A 81 16.099 1.971 4.924 1.00 0.00 H new ATOM 0 HA ASN A 81 14.896 0.092 3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.737 -0.698 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.811 -1.814 4.325 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.485 -0.754 3.152 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.823 -0.572 4.780 1.00 0.00 H new ATOM 872 N TRP A 82 14.467 0.669 6.242 1.00 0.00 N ATOM 873 CA TRP A 82 13.460 0.682 7.296 1.00 0.00 C ATOM 874 C TRP A 82 12.372 1.710 6.998 1.00 0.00 C ATOM 875 O TRP A 82 11.261 1.618 7.523 1.00 0.00 O ATOM 876 CB TRP A 82 14.103 0.928 8.666 1.00 0.00 C ATOM 877 CG TRP A 82 14.865 2.214 8.779 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.189 2.406 8.503 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.365 3.473 9.242 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.537 3.712 8.747 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.435 4.387 9.204 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.114 3.919 9.678 1.00 0.00 C ATOM 883 CZ2 TRP A 82 15.292 5.719 9.588 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.973 5.241 10.059 1.00 0.00 C ATOM 885 CH2 TRP A 82 14.057 6.127 10.011 1.00 0.00 C ATOM 0 H TRP A 82 15.380 1.025 6.523 1.00 0.00 H new ATOM 0 HA TRP A 82 12.987 -0.300 7.325 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.322 0.916 9.426 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.777 0.101 8.889 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.864 1.642 8.145 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.464 4.114 8.610 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.272 3.243 9.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 16.126 6.404 9.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 12.011 5.596 10.399 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.915 7.154 10.314 1.00 0.00 H new ATOM 896 N HIS A 83 12.688 2.676 6.136 1.00 0.00 N ATOM 897 CA HIS A 83 11.722 3.703 5.753 1.00 0.00 C ATOM 898 C HIS A 83 10.474 3.063 5.157 1.00 0.00 C ATOM 899 O HIS A 83 9.349 3.434 5.496 1.00 0.00 O ATOM 900 CB HIS A 83 12.341 4.672 4.740 1.00 0.00 C ATOM 901 CG HIS A 83 13.399 5.562 5.315 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.134 6.448 4.554 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.837 5.712 6.586 1.00 0.00 C ATOM 904 CE1 HIS A 83 14.975 7.102 5.333 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.814 6.675 6.570 1.00 0.00 N ATOM 0 H HIS A 83 13.602 2.768 5.692 1.00 0.00 H new ATOM 0 HA HIS A 83 11.443 4.259 6.648 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.771 4.098 3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.551 5.292 4.316 1.00 0.00 H new ATOM 0 HD1 HIS A 83 14.042 6.577 3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.483 5.173 7.453 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.676 7.858 5.012 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.332 7.007 7.384 1.00 0.00 H new ATOM 914 N LYS A 84 10.682 2.091 4.272 1.00 0.00 N ATOM 915 CA LYS A 84 9.578 1.387 3.629 1.00 0.00 C ATOM 916 C LYS A 84 8.719 0.673 4.667 1.00 0.00 C ATOM 917 O LYS A 84 7.492 0.681 4.584 1.00 0.00 O ATOM 918 CB LYS A 84 10.112 0.369 2.618 1.00 0.00 C ATOM 919 CG LYS A 84 10.945 0.981 1.503 1.00 0.00 C ATOM 920 CD LYS A 84 11.478 -0.089 0.563 1.00 0.00 C ATOM 921 CE LYS A 84 12.304 0.515 -0.561 1.00 0.00 C ATOM 922 NZ LYS A 84 12.830 -0.526 -1.485 1.00 0.00 N ATOM 0 H LYS A 84 11.607 1.773 3.984 1.00 0.00 H new ATOM 0 HA LYS A 84 8.965 2.122 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.717 -0.369 3.146 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.270 -0.165 2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.339 1.693 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.777 1.539 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.089 -0.796 1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.645 -0.652 0.141 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.692 1.222 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.136 1.078 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.388 -0.073 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.435 -1.186 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.036 -1.047 -1.909 1.00 0.00 H new ATOM 936 N LEU A 85 9.380 0.054 5.641 1.00 0.00 N ATOM 937 CA LEU A 85 8.697 -0.675 6.701 1.00 0.00 C ATOM 938 C LEU A 85 7.650 0.195 7.391 1.00 0.00 C ATOM 939 O LEU A 85 6.581 -0.286 7.765 1.00 0.00 O ATOM 940 CB LEU A 85 9.718 -1.173 7.723 1.00 0.00 C ATOM 941 CG LEU A 85 10.794 -2.106 7.164 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.802 -2.464 8.246 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.165 -3.364 6.585 1.00 0.00 C ATOM 0 H LEU A 85 10.397 0.044 5.716 1.00 0.00 H new ATOM 0 HA LEU A 85 8.182 -1.525 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.207 -0.310 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.187 -1.693 8.520 1.00 0.00 H new ATOM 0 HG LEU A 85 11.317 -1.585 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.560 -3.128 7.831 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.278 -1.555 8.615 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.291 -2.965 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.947 -4.014 6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.615 -3.888 7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.482 -3.092 5.780 1.00 0.00 H new ATOM 955 N GLU A 86 7.966 1.474 7.559 1.00 0.00 N ATOM 956 CA GLU A 86 7.051 2.406 8.207 1.00 0.00 C ATOM 957 C GLU A 86 5.827 2.655 7.339 1.00 0.00 C ATOM 958 O GLU A 86 4.693 2.495 7.789 1.00 0.00 O ATOM 959 CB GLU A 86 7.749 3.728 8.498 1.00 0.00 C ATOM 960 CG GLU A 86 6.864 4.706 9.249 1.00 0.00 C ATOM 961 CD GLU A 86 6.388 4.159 10.580 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.245 3.847 11.434 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.158 4.044 10.769 1.00 0.00 O ATOM 0 H GLU A 86 8.847 1.889 7.256 1.00 0.00 H new ATOM 0 HA GLU A 86 6.730 1.958 9.147 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.650 3.538 9.082 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.068 4.180 7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.414 5.632 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.000 4.955 8.633 1.00 0.00 H new ATOM 970 N ASN A 87 6.067 3.047 6.092 1.00 0.00 N ATOM 971 CA ASN A 87 4.994 3.320 5.156 1.00 0.00 C ATOM 972 C ASN A 87 4.057 2.125 5.041 1.00 0.00 C ATOM 973 O ASN A 87 2.843 2.287 4.933 1.00 0.00 O ATOM 974 CB ASN A 87 5.579 3.668 3.790 1.00 0.00 C ATOM 975 CG ASN A 87 6.458 4.902 3.834 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.005 5.988 4.199 1.00 0.00 O ATOM 977 ND2 ASN A 87 7.722 4.742 3.461 1.00 0.00 N ATOM 0 H ASN A 87 7.003 3.182 5.709 1.00 0.00 H new ATOM 0 HA ASN A 87 4.416 4.167 5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.162 2.824 3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 87 4.767 3.829 3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.361 5.537 3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.054 3.824 3.166 1.00 0.00 H new ATOM 984 N ILE A 88 4.628 0.925 5.066 1.00 0.00 N ATOM 985 CA ILE A 88 3.836 -0.295 4.967 1.00 0.00 C ATOM 986 C ILE A 88 3.044 -0.543 6.248 1.00 0.00 C ATOM 987 O ILE A 88 1.876 -0.930 6.202 1.00 0.00 O ATOM 988 CB ILE A 88 4.717 -1.526 4.683 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.535 -1.315 3.408 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.852 -2.772 4.564 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.428 -2.488 3.061 1.00 0.00 C ATOM 0 H ILE A 88 5.633 0.772 5.154 1.00 0.00 H new ATOM 0 HA ILE A 88 3.148 -0.151 4.134 1.00 0.00 H new ATOM 0 HB ILE A 88 5.409 -1.661 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.855 -1.128 2.577 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.150 -0.423 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.485 -3.636 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.309 -2.928 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.141 -2.645 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.978 -2.268 2.146 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.132 -2.662 3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.817 -3.379 2.912 1.00 0.00 H new ATOM 1003 N GLY A 89 3.692 -0.330 7.390 1.00 0.00 N ATOM 1004 CA GLY A 89 3.039 -0.548 8.668 1.00 0.00 C ATOM 1005 C GLY A 89 1.812 0.320 8.863 1.00 0.00 C ATOM 1006 O GLY A 89 0.719 -0.190 9.104 1.00 0.00 O ATOM 0 H GLY A 89 4.658 -0.010 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.752 -1.596 8.749 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.749 -0.349 9.471 1.00 0.00 H new ATOM 1010 N ASN A 90 1.989 1.634 8.762 1.00 0.00 N ATOM 1011 CA ASN A 90 0.880 2.568 8.935 1.00 0.00 C ATOM 1012 C ASN A 90 -0.201 2.341 7.886 1.00 0.00 C ATOM 1013 O ASN A 90 -1.393 2.405 8.185 1.00 0.00 O ATOM 1014 CB ASN A 90 1.384 4.012 8.878 1.00 0.00 C ATOM 1015 CG ASN A 90 2.221 4.306 7.651 1.00 0.00 C ATOM 1016 OD1 ASN A 90 1.776 4.130 6.518 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.444 4.771 7.877 1.00 0.00 N ATOM 0 H ASN A 90 2.886 2.076 8.562 1.00 0.00 H new ATOM 0 HA ASN A 90 0.440 2.388 9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.530 4.689 8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.975 4.219 9.770 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.056 4.998 7.093 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.771 4.901 8.834 1.00 0.00 H new ATOM 1024 N PHE A 91 0.224 2.081 6.658 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.707 1.848 5.555 1.00 0.00 C ATOM 1026 C PHE A 91 -1.635 0.670 5.848 1.00 0.00 C ATOM 1027 O PHE A 91 -2.852 0.780 5.702 1.00 0.00 O ATOM 1028 CB PHE A 91 0.066 1.588 4.259 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.813 1.266 3.081 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.912 2.056 2.779 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.537 0.174 2.275 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.718 1.760 1.696 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.340 -0.127 1.191 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.432 0.667 0.901 1.00 0.00 C ATOM 0 H PHE A 91 1.208 2.025 6.397 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.319 2.743 5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.667 2.466 4.023 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.759 0.762 4.420 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.141 2.912 3.397 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.316 -0.450 2.496 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.571 2.383 1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.114 -0.982 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.061 0.434 0.055 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.055 -0.456 6.250 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.833 -1.654 6.549 1.00 0.00 C ATOM 1046 C LEU A 92 -2.710 -1.463 7.778 1.00 0.00 C ATOM 1047 O LEU A 92 -3.896 -1.780 7.751 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.909 -2.854 6.740 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.174 -3.291 5.476 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.857 -4.361 5.800 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.162 -3.796 4.438 1.00 0.00 C ATOM 0 H LEU A 92 -0.049 -0.565 6.376 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.489 -1.841 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.174 -2.613 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.496 -3.693 7.113 1.00 0.00 H new ATOM 0 HG LEU A 92 0.349 -2.428 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.371 -4.660 4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.582 -3.964 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.358 -5.227 6.236 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.623 -4.104 3.542 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.711 -4.647 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.862 -3.000 4.184 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.133 -0.944 8.854 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.889 -0.715 10.079 1.00 0.00 C ATOM 1065 C ARG A 93 -4.074 0.194 9.800 1.00 0.00 C ATOM 1066 O ARG A 93 -5.151 0.036 10.374 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.997 -0.096 11.155 1.00 0.00 C ATOM 1068 CG ARG A 93 -0.818 -0.972 11.531 1.00 0.00 C ATOM 1069 CD ARG A 93 -1.266 -2.372 11.898 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.138 -3.256 12.179 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.270 -4.534 12.522 1.00 0.00 C ATOM 1072 NH1 ARG A 93 -1.477 -5.075 12.625 1.00 0.00 N ATOM 1073 NH2 ARG A 93 0.805 -5.273 12.761 1.00 0.00 N ATOM 0 H ARG A 93 -1.150 -0.675 8.904 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.255 -1.675 10.442 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.628 0.867 10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.595 0.099 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.117 -1.019 10.698 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.285 -0.527 12.371 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.916 -2.326 12.772 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.857 -2.788 11.082 1.00 0.00 H new ATOM 0 HE ARG A 93 0.804 -2.872 12.108 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.306 -4.510 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.576 -6.056 12.888 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.735 -4.861 12.682 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.702 -6.253 13.024 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.853 1.147 8.908 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.885 2.103 8.529 1.00 0.00 C ATOM 1089 C ALA A 94 -6.003 1.439 7.729 1.00 0.00 C ATOM 1090 O ALA A 94 -7.179 1.690 7.982 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.275 3.246 7.731 1.00 0.00 C ATOM 0 H ALA A 94 -2.962 1.280 8.429 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.323 2.498 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.056 3.954 7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.525 3.753 8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.807 2.851 6.830 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.635 0.606 6.756 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.625 -0.071 5.918 1.00 0.00 C ATOM 1099 C ILE A 95 -7.353 -1.176 6.684 1.00 0.00 C ATOM 1100 O ILE A 95 -8.561 -1.357 6.527 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.993 -0.665 4.638 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.035 -1.813 4.975 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.271 0.423 3.858 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.455 -2.492 3.754 1.00 0.00 C ATOM 0 H ILE A 95 -4.666 0.385 6.529 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.347 0.692 5.627 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.793 -1.071 4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.220 -1.428 5.588 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.564 -2.553 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.830 -0.006 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.980 1.202 3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.485 0.854 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.786 -3.294 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.262 -2.907 3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.898 -1.765 3.163 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.614 -1.907 7.514 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.190 -2.985 8.306 1.00 0.00 C ATOM 1118 C LYS A 96 -8.298 -2.450 9.204 1.00 0.00 C ATOM 1119 O LYS A 96 -9.353 -3.069 9.349 1.00 0.00 O ATOM 1120 CB LYS A 96 -6.104 -3.655 9.155 1.00 0.00 C ATOM 1121 CG LYS A 96 -5.067 -4.420 8.346 1.00 0.00 C ATOM 1122 CD LYS A 96 -4.011 -5.059 9.240 1.00 0.00 C ATOM 1123 CE LYS A 96 -4.627 -6.040 10.226 1.00 0.00 C ATOM 1124 NZ LYS A 96 -3.600 -6.664 11.104 1.00 0.00 N ATOM 0 H LYS A 96 -5.613 -1.770 7.654 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.616 -3.725 7.628 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.597 -2.892 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.578 -4.340 9.858 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.562 -5.193 7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -4.585 -3.743 7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.276 -5.576 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.477 -4.281 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.364 -5.523 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -5.158 -6.819 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -3.764 -7.690 11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.653 -6.484 10.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -3.664 -6.255 12.058 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.047 -1.289 9.796 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.013 -0.646 10.676 1.00 0.00 C ATOM 1140 C HIS A 97 -10.046 0.124 9.865 1.00 0.00 C ATOM 1141 O HIS A 97 -11.215 0.204 10.241 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.297 0.303 11.637 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.207 0.934 12.646 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.947 0.205 13.552 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.493 2.236 12.889 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.650 1.030 14.307 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.392 2.268 13.925 1.00 0.00 N ATOM 0 H HIS A 97 -7.176 -0.771 9.681 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.524 -1.419 11.250 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.513 -0.246 12.160 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.807 1.088 11.061 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.089 3.089 12.365 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.322 0.741 15.102 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.796 3.111 14.334 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.595 0.697 8.753 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.467 1.476 7.880 1.00 0.00 C ATOM 1158 C TYR A 98 -11.720 0.686 7.518 1.00 0.00 C ATOM 1159 O TYR A 98 -12.826 1.225 7.520 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.726 1.886 6.604 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.509 2.833 5.720 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.991 4.038 6.216 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.762 2.524 4.389 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.704 4.907 5.411 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.474 3.388 3.578 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.942 4.577 4.094 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.652 5.440 3.291 1.00 0.00 O ATOM 0 H TYR A 98 -8.628 0.636 8.435 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.764 2.374 8.421 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.782 2.357 6.879 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.481 0.990 6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.806 4.300 7.247 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.396 1.593 3.981 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.073 5.840 5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.662 3.133 2.546 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.731 5.060 2.391 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.540 -0.595 7.207 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.674 -1.428 6.850 1.00 0.00 C ATOM 1179 C GLY A 99 -12.269 -2.792 6.324 1.00 0.00 C ATOM 1180 O GLY A 99 -12.860 -3.805 6.700 1.00 0.00 O ATOM 0 H GLY A 99 -10.636 -1.068 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.312 -1.557 7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.270 -0.916 6.094 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.272 -2.821 5.446 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.808 -4.076 4.863 1.00 0.00 C ATOM 1186 C VAL A 100 -10.362 -5.054 5.947 1.00 0.00 C ATOM 1187 O VAL A 100 -9.584 -4.703 6.834 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.643 -3.848 3.879 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.291 -5.145 3.166 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -10.001 -2.770 2.868 1.00 0.00 C ATOM 0 H VAL A 100 -10.771 -1.993 5.123 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.651 -4.500 4.318 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.774 -3.514 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.467 -4.968 2.475 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.995 -5.895 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.159 -5.503 2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.167 -2.623 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.883 -3.077 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -10.210 -1.836 3.390 1.00 0.00 H new ATOM 1200 N LYS A 101 -10.865 -6.283 5.865 1.00 0.00 N ATOM 1201 CA LYS A 101 -10.525 -7.319 6.834 1.00 0.00 C ATOM 1202 C LYS A 101 -9.070 -7.755 6.682 1.00 0.00 C ATOM 1203 O LYS A 101 -8.569 -7.886 5.566 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.451 -8.531 6.674 1.00 0.00 C ATOM 1205 CG LYS A 101 -12.914 -8.241 6.980 1.00 0.00 C ATOM 1206 CD LYS A 101 -13.547 -7.333 5.936 1.00 0.00 C ATOM 1207 CE LYS A 101 -15.005 -7.049 6.253 1.00 0.00 C ATOM 1208 NZ LYS A 101 -15.167 -6.381 7.574 1.00 0.00 N ATOM 0 H LYS A 101 -11.511 -6.585 5.136 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.659 -6.899 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.372 -8.903 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.105 -9.328 7.331 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.467 -9.179 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.993 -7.774 7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -12.995 -6.394 5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.472 -7.799 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.430 -6.418 5.473 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.566 -7.983 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.139 -6.023 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.977 -7.065 8.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.498 -5.588 7.646 1.00 0.00 H new ATOM 1222 N PRO A 102 -8.370 -7.990 7.808 1.00 0.00 N ATOM 1223 CA PRO A 102 -6.964 -8.415 7.794 1.00 0.00 C ATOM 1224 C PRO A 102 -6.745 -9.651 6.927 1.00 0.00 C ATOM 1225 O PRO A 102 -5.742 -9.754 6.219 1.00 0.00 O ATOM 1226 CB PRO A 102 -6.671 -8.736 9.261 1.00 0.00 C ATOM 1227 CG PRO A 102 -7.663 -7.934 10.033 1.00 0.00 C ATOM 1228 CD PRO A 102 -8.893 -7.858 9.181 1.00 0.00 C ATOM 0 HA PRO A 102 -6.312 -7.649 7.375 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.782 -9.802 9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.650 -8.465 9.529 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -7.882 -8.404 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.276 -6.938 10.247 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.597 -8.655 9.421 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.420 -6.914 9.321 1.00 0.00 H new ATOM 1236 N HIS A 103 -7.689 -10.584 6.990 1.00 0.00 N ATOM 1237 CA HIS A 103 -7.610 -11.818 6.214 1.00 0.00 C ATOM 1238 C HIS A 103 -7.466 -11.507 4.725 1.00 0.00 C ATOM 1239 O HIS A 103 -6.867 -12.277 3.972 1.00 0.00 O ATOM 1240 CB HIS A 103 -8.859 -12.672 6.456 1.00 0.00 C ATOM 1241 CG HIS A 103 -8.775 -14.059 5.891 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -7.758 -14.714 5.278 1.00 0.00 N flip ATOM 1243 CD2 HIS A 103 -9.827 -14.950 5.935 1.00 0.00 C flip ATOM 1244 CE1 HIS A 103 -8.211 -15.972 4.969 1.00 0.00 C flip ATOM 1245 NE2 HIS A 103 -9.460 -16.090 5.375 1.00 0.00 N flip ATOM 0 H HIS A 103 -8.522 -10.509 7.573 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.731 -12.375 6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.037 -12.739 7.529 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.721 -12.166 6.021 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -6.829 -14.341 5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.799 -14.748 6.361 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.637 -16.741 4.473 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.007 -10.367 4.312 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.935 -9.940 2.923 1.00 0.00 C ATOM 1256 C ASP A 104 -6.953 -8.792 2.794 1.00 0.00 C ATOM 1257 O ASP A 104 -7.167 -7.849 2.030 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.317 -9.510 2.428 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.321 -10.647 2.451 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.082 -11.664 1.766 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -11.345 -10.520 3.155 1.00 0.00 O ATOM 0 H ASP A 104 -8.503 -9.719 4.925 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.593 -10.775 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.684 -8.693 3.049 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -9.232 -9.125 1.412 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.880 -8.874 3.569 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.857 -7.843 3.577 1.00 0.00 C ATOM 1268 C ILE A 105 -3.469 -8.442 3.770 1.00 0.00 C ATOM 1269 O ILE A 105 -3.246 -9.236 4.684 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.123 -6.825 4.700 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.434 -6.080 4.443 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.968 -5.850 4.819 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.807 -5.109 5.541 1.00 0.00 C ATOM 0 H ILE A 105 -5.697 -9.651 4.204 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.895 -7.341 2.610 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.212 -7.364 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.354 -5.537 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.238 -6.807 4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.174 -5.138 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.053 -6.396 5.047 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.846 -5.314 3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.747 -4.619 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.920 -5.649 6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.023 -4.359 5.645 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.540 -8.049 2.907 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.170 -8.539 2.984 1.00 0.00 C ATOM 1287 C PHE A 106 -0.438 -7.912 4.158 1.00 0.00 C ATOM 1288 O PHE A 106 -0.634 -6.738 4.469 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.421 -8.243 1.685 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.301 -6.775 1.375 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.736 -6.023 1.904 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.229 -6.147 0.559 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.846 -4.673 1.624 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -1.124 -4.799 0.276 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.086 -4.061 0.808 1.00 0.00 C ATOM 0 H PHE A 106 -2.711 -7.392 2.146 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.206 -9.618 3.133 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.578 -8.675 1.746 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.933 -8.739 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.467 -6.497 2.542 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.044 -6.718 0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.659 -4.098 2.042 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.854 -4.323 -0.362 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.002 -3.007 0.587 1.00 0.00 H new ATOM 1305 N GLU A 107 0.408 -8.697 4.803 1.00 0.00 N ATOM 1306 CA GLU A 107 1.175 -8.209 5.939 1.00 0.00 C ATOM 1307 C GLU A 107 2.463 -7.545 5.481 1.00 0.00 C ATOM 1308 O GLU A 107 3.000 -7.870 4.421 1.00 0.00 O ATOM 1309 CB GLU A 107 1.478 -9.332 6.922 1.00 0.00 C ATOM 1310 CG GLU A 107 0.248 -9.829 7.653 1.00 0.00 C ATOM 1311 CD GLU A 107 -0.614 -10.752 6.811 1.00 0.00 C ATOM 1312 OE1 GLU A 107 -0.211 -11.072 5.674 1.00 0.00 O ATOM 1313 OE2 GLU A 107 -1.690 -11.161 7.296 1.00 0.00 O ATOM 0 H GLU A 107 0.582 -9.673 4.561 1.00 0.00 H new ATOM 0 HA GLU A 107 0.566 -7.464 6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.935 -10.163 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.210 -8.982 7.650 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.557 -10.355 8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.349 -8.974 7.970 1.00 0.00 H new ATOM 1320 N ALA A 108 2.947 -6.608 6.286 1.00 0.00 N ATOM 1321 CA ALA A 108 4.169 -5.881 5.974 1.00 0.00 C ATOM 1322 C ALA A 108 5.301 -6.826 5.589 1.00 0.00 C ATOM 1323 O ALA A 108 6.105 -6.514 4.711 1.00 0.00 O ATOM 1324 CB ALA A 108 4.580 -5.015 7.154 1.00 0.00 C ATOM 0 H ALA A 108 2.508 -6.333 7.165 1.00 0.00 H new ATOM 0 HA ALA A 108 3.967 -5.241 5.115 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.495 -4.476 6.909 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.787 -4.301 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.753 -5.646 8.026 1.00 0.00 H new ATOM 1330 N ASN A 109 5.369 -7.977 6.251 1.00 0.00 N ATOM 1331 CA ASN A 109 6.413 -8.949 5.972 1.00 0.00 C ATOM 1332 C ASN A 109 6.188 -9.647 4.632 1.00 0.00 C ATOM 1333 O ASN A 109 7.143 -9.947 3.917 1.00 0.00 O ATOM 1334 CB ASN A 109 6.493 -9.971 7.105 1.00 0.00 C ATOM 1335 CG ASN A 109 5.206 -10.749 7.289 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.810 -11.527 6.424 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.546 -10.543 8.422 1.00 0.00 N ATOM 0 H ASN A 109 4.714 -8.256 6.982 1.00 0.00 H new ATOM 0 HA ASN A 109 7.361 -8.416 5.906 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.307 -10.667 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.737 -9.457 8.035 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.674 -11.040 8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 109 4.911 -9.888 9.113 1.00 0.00 H new ATOM 1344 N ASP A 110 4.928 -9.907 4.293 1.00 0.00 N ATOM 1345 CA ASP A 110 4.605 -10.574 3.033 1.00 0.00 C ATOM 1346 C ASP A 110 5.091 -9.756 1.838 1.00 0.00 C ATOM 1347 O ASP A 110 5.707 -10.293 0.918 1.00 0.00 O ATOM 1348 CB ASP A 110 3.097 -10.813 2.913 1.00 0.00 C ATOM 1349 CG ASP A 110 2.571 -11.774 3.960 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.673 -11.457 5.162 1.00 0.00 O ATOM 1351 OD2 ASP A 110 2.054 -12.845 3.578 1.00 0.00 O ATOM 0 H ASP A 110 4.119 -9.669 4.867 1.00 0.00 H new ATOM 0 HA ASP A 110 5.118 -11.536 3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.574 -9.861 3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.873 -11.205 1.921 1.00 0.00 H new ATOM 1356 N LEU A 111 4.802 -8.458 1.855 1.00 0.00 N ATOM 1357 CA LEU A 111 5.202 -7.570 0.769 1.00 0.00 C ATOM 1358 C LEU A 111 6.699 -7.266 0.811 1.00 0.00 C ATOM 1359 O LEU A 111 7.386 -7.355 -0.206 1.00 0.00 O ATOM 1360 CB LEU A 111 4.403 -6.265 0.830 1.00 0.00 C ATOM 1361 CG LEU A 111 4.725 -5.248 -0.270 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.428 -5.831 -1.644 1.00 0.00 C ATOM 1363 CD2 LEU A 111 3.938 -3.965 -0.053 1.00 0.00 C ATOM 0 H LEU A 111 4.292 -7.998 2.609 1.00 0.00 H new ATOM 0 HA LEU A 111 4.990 -8.082 -0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.341 -6.506 0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.578 -5.796 1.798 1.00 0.00 H new ATOM 0 HG LEU A 111 5.788 -5.014 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.663 -5.093 -2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.035 -6.723 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.372 -6.095 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.178 -3.253 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.871 -4.185 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.201 -3.536 0.914 1.00 0.00 H new ATOM 1375 N PHE A 112 7.196 -6.895 1.988 1.00 0.00 N ATOM 1376 CA PHE A 112 8.611 -6.563 2.152 1.00 0.00 C ATOM 1377 C PHE A 112 9.504 -7.752 1.806 1.00 0.00 C ATOM 1378 O PHE A 112 10.378 -7.651 0.944 1.00 0.00 O ATOM 1379 CB PHE A 112 8.889 -6.111 3.588 1.00 0.00 C ATOM 1380 CG PHE A 112 10.297 -5.630 3.807 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.836 -4.627 3.015 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.082 -6.185 4.805 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.130 -4.187 3.216 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.378 -5.749 5.010 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.902 -4.749 4.215 1.00 0.00 C ATOM 0 H PHE A 112 6.643 -6.816 2.841 1.00 0.00 H new ATOM 0 HA PHE A 112 8.841 -5.749 1.465 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.196 -5.311 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.688 -6.940 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.237 -4.185 2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.677 -6.967 5.430 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.538 -3.405 2.593 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.980 -6.190 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.914 -4.406 4.374 1.00 0.00 H new ATOM 1395 N GLU A 113 9.278 -8.877 2.477 1.00 0.00 N ATOM 1396 CA GLU A 113 10.060 -10.083 2.232 1.00 0.00 C ATOM 1397 C GLU A 113 9.678 -10.701 0.897 1.00 0.00 C ATOM 1398 O GLU A 113 10.361 -11.593 0.393 1.00 0.00 O ATOM 1399 CB GLU A 113 9.855 -11.094 3.359 1.00 0.00 C ATOM 1400 CG GLU A 113 10.351 -10.602 4.707 1.00 0.00 C ATOM 1401 CD GLU A 113 11.831 -10.275 4.702 1.00 0.00 C ATOM 1402 OE1 GLU A 113 12.639 -11.187 4.422 1.00 0.00 O ATOM 1403 OE2 GLU A 113 12.183 -9.109 4.977 1.00 0.00 O ATOM 0 H GLU A 113 8.560 -8.978 3.194 1.00 0.00 H new ATOM 0 HA GLU A 113 11.114 -9.807 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.794 -11.332 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.372 -12.020 3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.788 -9.714 4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 113 10.154 -11.363 5.462 1.00 0.00 H new ATOM 1410 N ASN A 114 8.572 -10.223 0.337 1.00 0.00 N ATOM 1411 CA ASN A 114 8.075 -10.722 -0.937 1.00 0.00 C ATOM 1412 C ASN A 114 7.695 -12.193 -0.824 1.00 0.00 C ATOM 1413 O ASN A 114 7.784 -12.947 -1.793 1.00 0.00 O ATOM 1414 CB ASN A 114 9.124 -10.528 -2.033 1.00 0.00 C ATOM 1415 CG ASN A 114 9.467 -9.068 -2.254 1.00 0.00 C ATOM 1416 OD1 ASN A 114 8.601 -8.260 -2.588 1.00 0.00 O ATOM 1417 ND2 ASN A 114 10.735 -8.724 -2.068 1.00 0.00 N ATOM 0 H ASN A 114 8.001 -9.486 0.750 1.00 0.00 H new ATOM 0 HA ASN A 114 7.184 -10.154 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 114 10.029 -11.074 -1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.755 -10.957 -2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 114 11.026 -7.755 -2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.419 -9.428 -1.791 1.00 0.00 H new ATOM 1424 N THR A 115 7.266 -12.592 0.370 1.00 0.00 N ATOM 1425 CA THR A 115 6.862 -13.972 0.613 1.00 0.00 C ATOM 1426 C THR A 115 5.522 -14.270 -0.048 1.00 0.00 C ATOM 1427 O THR A 115 5.353 -15.304 -0.693 1.00 0.00 O ATOM 1428 CB THR A 115 6.758 -14.274 2.119 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.786 -13.417 2.727 1.00 0.00 O ATOM 1430 CG2 THR A 115 8.105 -14.087 2.804 1.00 0.00 C ATOM 0 H THR A 115 7.189 -11.980 1.182 1.00 0.00 H new ATOM 0 HA THR A 115 7.632 -14.609 0.179 1.00 0.00 H new ATOM 0 HB THR A 115 6.449 -15.313 2.236 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.726 -13.618 3.684 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.006 -14.306 3.867 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.836 -14.763 2.361 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.439 -13.057 2.675 1.00 0.00 H new ATOM 1438 N ASN A 116 4.573 -13.353 0.116 1.00 0.00 N ATOM 1439 CA ASN A 116 3.246 -13.513 -0.466 1.00 0.00 C ATOM 1440 C ASN A 116 2.958 -12.380 -1.449 1.00 0.00 C ATOM 1441 O ASN A 116 3.042 -11.203 -1.096 1.00 0.00 O ATOM 1442 CB ASN A 116 2.188 -13.538 0.642 1.00 0.00 C ATOM 1443 CG ASN A 116 0.812 -13.947 0.146 1.00 0.00 C ATOM 1444 OD1 ASN A 116 0.694 -14.219 -1.151 1.00 0.00 O flip ATOM 1445 ND2 ASN A 116 -0.137 -14.026 0.925 1.00 0.00 N flip ATOM 0 H ASN A 116 4.699 -12.492 0.647 1.00 0.00 H new ATOM 0 HA ASN A 116 3.211 -14.458 -1.008 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.506 -14.229 1.423 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.124 -12.550 1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.005 -13.809 1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -1.055 -14.309 0.583 1.00 0.00 H new ATOM 1452 N HIS A 117 2.629 -12.742 -2.687 1.00 0.00 N ATOM 1453 CA HIS A 117 2.340 -11.754 -3.722 1.00 0.00 C ATOM 1454 C HIS A 117 0.854 -11.717 -4.063 1.00 0.00 C ATOM 1455 O HIS A 117 0.258 -10.645 -4.166 1.00 0.00 O ATOM 1456 CB HIS A 117 3.150 -12.056 -4.985 1.00 0.00 C ATOM 1457 CG HIS A 117 4.635 -12.001 -4.786 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.537 -12.262 -5.796 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.376 -11.710 -3.690 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.767 -12.135 -5.329 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.696 -11.800 -4.056 1.00 0.00 N ATOM 0 H HIS A 117 2.556 -13.711 -2.997 1.00 0.00 H new ATOM 0 HA HIS A 117 2.624 -10.777 -3.331 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.879 -13.047 -5.349 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.871 -11.344 -5.762 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.293 -12.514 -6.754 1.00 0.00 H new ATOM 0 HD2 HIS A 117 4.999 -11.455 -2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.676 -12.281 -5.894 1.00 0.00 H new ATOM 1470 N THR A 118 0.264 -12.894 -4.250 1.00 0.00 N ATOM 1471 CA THR A 118 -1.150 -12.998 -4.596 1.00 0.00 C ATOM 1472 C THR A 118 -2.020 -12.187 -3.640 1.00 0.00 C ATOM 1473 O THR A 118 -2.925 -11.471 -4.069 1.00 0.00 O ATOM 1474 CB THR A 118 -1.625 -14.462 -4.586 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.819 -15.245 -5.477 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.085 -14.558 -5.005 1.00 0.00 C ATOM 0 H THR A 118 0.744 -13.790 -4.168 1.00 0.00 H new ATOM 0 HA THR A 118 -1.254 -12.595 -5.603 1.00 0.00 H new ATOM 0 HB THR A 118 -1.525 -14.847 -3.571 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.126 -16.175 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.400 -15.601 -4.991 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.701 -13.984 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.202 -14.157 -6.012 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.739 -12.301 -2.347 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.495 -11.575 -1.335 1.00 0.00 C ATOM 1486 C GLN A 119 -2.398 -10.071 -1.558 1.00 0.00 C ATOM 1487 O GLN A 119 -3.380 -9.345 -1.398 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.980 -11.929 0.059 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.702 -11.203 1.181 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.182 -11.526 1.229 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.572 -12.682 1.400 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -5.016 -10.504 1.080 1.00 0.00 N ATOM 0 H GLN A 119 -0.993 -12.889 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.542 -11.868 -1.416 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -2.079 -13.004 0.211 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.916 -11.696 0.113 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.245 -11.470 2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.573 -10.128 1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.649 -9.563 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.024 -10.660 1.105 1.00 0.00 H new ATOM 1501 N VAL A 120 -1.206 -9.609 -1.920 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.974 -8.189 -2.157 1.00 0.00 C ATOM 1503 C VAL A 120 -1.878 -7.654 -3.265 1.00 0.00 C ATOM 1504 O VAL A 120 -2.490 -6.595 -3.123 1.00 0.00 O ATOM 1505 CB VAL A 120 0.497 -7.915 -2.527 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.713 -6.436 -2.802 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.425 -8.398 -1.422 1.00 0.00 C ATOM 0 H VAL A 120 -0.385 -10.198 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.209 -7.673 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 120 0.731 -8.468 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.757 -6.263 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.077 -6.123 -3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.460 -5.860 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.459 -8.196 -1.701 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.190 -7.874 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.291 -9.470 -1.277 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.955 -8.389 -4.369 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.771 -7.997 -5.498 1.00 0.00 C ATOM 1519 C GLN A 121 -4.250 -7.949 -5.123 1.00 0.00 C ATOM 1520 O GLN A 121 -4.956 -6.998 -5.461 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.548 -8.983 -6.640 1.00 0.00 C ATOM 1522 CG GLN A 121 -3.347 -8.647 -7.873 1.00 0.00 C ATOM 1523 CD GLN A 121 -3.117 -9.625 -9.008 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -1.994 -9.786 -9.486 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -4.184 -10.283 -9.448 1.00 0.00 N ATOM 0 H GLN A 121 -1.454 -9.268 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.478 -6.995 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.488 -9.002 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.813 -9.985 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.407 -8.634 -7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -3.086 -7.643 -8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -5.096 -10.118 -9.022 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -4.091 -10.953 -10.212 1.00 0.00 H new ATOM 1534 N SER A 122 -4.713 -8.984 -4.429 1.00 0.00 N ATOM 1535 CA SER A 122 -6.109 -9.067 -4.011 1.00 0.00 C ATOM 1536 C SER A 122 -6.475 -7.923 -3.069 1.00 0.00 C ATOM 1537 O SER A 122 -7.569 -7.365 -3.153 1.00 0.00 O ATOM 1538 CB SER A 122 -6.378 -10.410 -3.329 1.00 0.00 C ATOM 1539 OG SER A 122 -7.730 -10.514 -2.919 1.00 0.00 O ATOM 0 H SER A 122 -4.141 -9.779 -4.144 1.00 0.00 H new ATOM 0 HA SER A 122 -6.730 -8.985 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 122 -6.139 -11.223 -4.014 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.723 -10.519 -2.464 1.00 0.00 H new ATOM 0 HG SER A 122 -7.875 -11.382 -2.488 1.00 0.00 H new ATOM 1545 N THR A 123 -5.558 -7.589 -2.167 1.00 0.00 N ATOM 1546 CA THR A 123 -5.784 -6.519 -1.200 1.00 0.00 C ATOM 1547 C THR A 123 -6.154 -5.210 -1.891 1.00 0.00 C ATOM 1548 O THR A 123 -7.049 -4.495 -1.441 1.00 0.00 O ATOM 1549 CB THR A 123 -4.542 -6.287 -0.318 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.207 -7.492 0.382 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.787 -5.167 0.683 1.00 0.00 C ATOM 0 H THR A 123 -4.649 -8.045 -2.085 1.00 0.00 H new ATOM 0 HA THR A 123 -6.616 -6.838 -0.572 1.00 0.00 H new ATOM 0 HB THR A 123 -3.714 -5.999 -0.966 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.690 -8.080 -0.207 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.895 -5.023 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.014 -4.244 0.149 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.628 -5.430 1.325 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.459 -4.899 -2.981 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.716 -3.672 -3.725 1.00 0.00 C ATOM 1561 C LEU A 124 -7.175 -3.590 -4.163 1.00 0.00 C ATOM 1562 O LEU A 124 -7.822 -2.553 -4.005 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.800 -3.585 -4.949 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.304 -3.490 -4.636 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.496 -3.422 -5.922 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.015 -2.280 -3.759 1.00 0.00 C ATOM 0 H LEU A 124 -4.715 -5.479 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.507 -2.832 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.970 -4.462 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.088 -2.714 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.010 -4.386 -4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.435 -3.355 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.678 -4.319 -6.514 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.795 -2.543 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -1.947 -2.230 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.325 -1.373 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.566 -2.369 -2.823 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.692 -4.687 -4.708 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.077 -4.731 -5.162 1.00 0.00 C ATOM 1580 C ILE A 125 -10.035 -4.408 -4.019 1.00 0.00 C ATOM 1581 O ILE A 125 -11.013 -3.683 -4.201 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.435 -6.109 -5.753 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.514 -6.435 -6.933 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.894 -6.137 -6.187 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.786 -7.783 -7.566 1.00 0.00 C ATOM 0 H ILE A 125 -7.174 -5.555 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.181 -3.978 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 125 -9.292 -6.868 -4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.622 -5.659 -7.691 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.479 -6.406 -6.593 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -11.131 -7.116 -6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.534 -5.943 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -11.063 -5.371 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -8.095 -7.942 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.649 -8.568 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.810 -7.810 -7.938 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.744 -4.950 -2.840 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.576 -4.720 -1.665 1.00 0.00 C ATOM 1599 C ALA A 126 -10.607 -3.239 -1.297 1.00 0.00 C ATOM 1600 O ALA A 126 -11.667 -2.682 -1.011 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.071 -5.546 -0.491 1.00 0.00 C ATOM 0 H ALA A 126 -8.937 -5.552 -2.674 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.593 -5.031 -1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.701 -5.364 0.379 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.105 -6.604 -0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.044 -5.262 -0.261 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.436 -2.607 -1.308 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.326 -1.191 -0.977 1.00 0.00 C ATOM 1609 C LEU A 127 -10.142 -0.342 -1.948 1.00 0.00 C ATOM 1610 O LEU A 127 -10.797 0.621 -1.549 1.00 0.00 O ATOM 1611 CB LEU A 127 -7.860 -0.750 -1.006 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.614 0.717 -0.639 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.126 1.012 0.763 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.134 1.053 -0.748 1.00 0.00 C ATOM 0 H LEU A 127 -8.550 -3.054 -1.543 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.722 -1.047 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.294 -1.380 -0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.463 -0.930 -2.005 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.162 1.343 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -7.942 2.059 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.196 0.812 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -7.607 0.377 1.481 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.978 2.099 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.566 0.418 -0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -5.797 0.883 -1.770 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.097 -0.711 -3.224 1.00 0.00 N ATOM 1627 CA ALA A 128 -10.830 0.008 -4.258 1.00 0.00 C ATOM 1628 C ALA A 128 -12.326 0.002 -3.968 1.00 0.00 C ATOM 1629 O ALA A 128 -13.006 1.012 -4.145 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.553 -0.603 -5.624 1.00 0.00 C ATOM 0 H ALA A 128 -9.559 -1.507 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.488 1.043 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.107 -0.056 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.486 -0.545 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -10.867 -1.647 -5.626 1.00 0.00 H new ATOM 1636 N SER A 129 -12.828 -1.144 -3.518 1.00 0.00 N ATOM 1637 CA SER A 129 -14.243 -1.287 -3.197 1.00 0.00 C ATOM 1638 C SER A 129 -14.679 -0.228 -2.192 1.00 0.00 C ATOM 1639 O SER A 129 -15.799 0.278 -2.253 1.00 0.00 O ATOM 1640 CB SER A 129 -14.521 -2.684 -2.638 1.00 0.00 C ATOM 1641 OG SER A 129 -14.174 -3.688 -3.576 1.00 0.00 O ATOM 0 H SER A 129 -12.275 -1.988 -3.367 1.00 0.00 H new ATOM 0 HA SER A 129 -14.816 -1.150 -4.114 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.955 -2.830 -1.718 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.576 -2.772 -2.380 1.00 0.00 H new ATOM 0 HG SER A 129 -13.200 -3.712 -3.685 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.786 0.102 -1.264 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.070 1.095 -0.249 1.00 0.00 C ATOM 1649 C GLN A 130 -14.247 2.480 -0.862 1.00 0.00 C ATOM 1650 O GLN A 130 -15.193 3.197 -0.537 1.00 0.00 O ATOM 1651 CB GLN A 130 -12.941 1.114 0.767 1.00 0.00 C ATOM 1652 CG GLN A 130 -12.829 -0.164 1.581 1.00 0.00 C ATOM 1653 CD GLN A 130 -11.765 -0.075 2.656 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -10.593 0.161 2.365 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.168 -0.266 3.906 1.00 0.00 N ATOM 0 H GLN A 130 -12.855 -0.310 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.005 0.828 0.244 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -11.999 1.286 0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -13.089 1.954 1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -13.791 -0.382 2.044 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.600 -0.996 0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.150 -0.459 4.101 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -11.495 -0.220 4.671 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.326 2.853 -1.746 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.373 4.155 -2.402 1.00 0.00 C ATOM 1666 C ALA A 131 -14.371 4.167 -3.558 1.00 0.00 C ATOM 1667 O ALA A 131 -14.087 4.707 -4.628 1.00 0.00 O ATOM 1668 CB ALA A 131 -11.986 4.544 -2.892 1.00 0.00 C ATOM 0 H ALA A 131 -12.537 2.270 -2.025 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.711 4.888 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.032 5.517 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.302 4.595 -2.045 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.629 3.799 -3.602 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.541 3.574 -3.337 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.580 3.520 -4.358 1.00 0.00 C ATOM 1676 C LYS A 132 -17.895 3.023 -3.765 1.00 0.00 C ATOM 1677 O LYS A 132 -18.580 2.185 -4.352 1.00 0.00 O ATOM 1678 CB LYS A 132 -16.142 2.614 -5.508 1.00 0.00 C ATOM 1679 CG LYS A 132 -15.908 1.169 -5.097 1.00 0.00 C ATOM 1680 CD LYS A 132 -15.476 0.310 -6.276 1.00 0.00 C ATOM 1681 CE LYS A 132 -16.554 0.243 -7.348 1.00 0.00 C ATOM 1682 NZ LYS A 132 -16.137 -0.598 -8.503 1.00 0.00 N ATOM 0 H LYS A 132 -15.793 3.123 -2.457 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.737 4.528 -4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -16.902 2.641 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -15.225 3.011 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -15.144 1.131 -4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -16.822 0.761 -4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -14.560 0.716 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -15.246 -0.697 -5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -17.470 -0.161 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -16.783 1.250 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -16.899 -0.618 -9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -15.277 -0.199 -8.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -15.943 -1.566 -8.176 1.00 0.00 H new ATOM 1696 N THR A 133 -18.241 3.551 -2.593 1.00 0.00 N ATOM 1697 CA THR A 133 -19.470 3.167 -1.909 1.00 0.00 C ATOM 1698 C THR A 133 -19.725 4.063 -0.702 1.00 0.00 C ATOM 1699 O THR A 133 -20.870 4.395 -0.394 1.00 0.00 O ATOM 1700 CB THR A 133 -19.423 1.698 -1.446 1.00 0.00 C ATOM 1701 OG1 THR A 133 -20.629 1.365 -0.748 1.00 0.00 O ATOM 1702 CG2 THR A 133 -18.224 1.449 -0.544 1.00 0.00 C ATOM 0 H THR A 133 -17.685 4.248 -2.097 1.00 0.00 H new ATOM 0 HA THR A 133 -20.283 3.285 -2.626 1.00 0.00 H new ATOM 0 HB THR A 133 -19.328 1.067 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 133 -20.592 0.429 -0.459 1.00 0.00 H new ATOM 0 HG21 THR A 133 -18.214 0.405 -0.231 1.00 0.00 H new ATOM 0 HG22 THR A 133 -17.307 1.673 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 133 -18.290 2.090 0.335 1.00 0.00 H new ATOM 1710 N LYS A 134 -18.650 4.448 -0.022 1.00 0.00 N ATOM 1711 CA LYS A 134 -18.751 5.306 1.155 1.00 0.00 C ATOM 1712 C LYS A 134 -19.484 6.602 0.822 1.00 0.00 C ATOM 1713 O LYS A 134 -18.964 7.378 -0.008 1.00 0.00 O ATOM 1714 CB LYS A 134 -17.357 5.622 1.701 1.00 0.00 C ATOM 1715 CG LYS A 134 -16.551 4.388 2.076 1.00 0.00 C ATOM 1716 CD LYS A 134 -17.229 3.588 3.177 1.00 0.00 C ATOM 1717 CE LYS A 134 -16.420 2.357 3.551 1.00 0.00 C ATOM 1718 NZ LYS A 134 -17.076 1.567 4.630 1.00 0.00 N ATOM 1719 OXT LYS A 134 -20.569 6.832 1.395 1.00 0.00 O ATOM 0 H LYS A 134 -17.697 4.179 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 134 -19.321 4.772 1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -16.805 6.192 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -17.457 6.260 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -16.419 3.758 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -15.556 4.689 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -17.362 4.218 4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -18.223 3.285 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.288 1.728 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.426 2.662 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -16.493 0.736 4.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -17.180 2.158 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -18.015 1.254 4.309 1.00 0.00 H new TER 1733 LYS A 134