USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=23 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 80 GLN :FLIP amide:sc= -0.513 X(o=-3,f=-2.6) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -2.09 X(o=-2.6,f=-3!) USER MOD Single : A 27 MET CE :methyl -160:sc= -0.195 (180deg=-0.778) USER MOD Single : A 29 GLN : amide:sc= -2.15 K(o=-2.2,f=-2.9!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 49 ASN : amide:sc= 0.0315 K(o=0.032,f=-9.6!) USER MOD Single : A 51 MET CE :methyl 178:sc= -2.48 (180deg=-2.49) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot -79:sc= -0.199 USER MOD Single : A 65 ASN : amide:sc= -0.518 K(o=-0.52,f=-2.3!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-2.4!,f=0) USER MOD Single : A 71 SER OG : rot 73:sc= -4.1! USER MOD Single : A 73 GLN : amide:sc=-0.000222 X(o=-0.00022,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.101 F(o=-1.4!,f=-0.1) USER MOD Single : A 81 ASN : amide:sc= -0.811 K(o=-0.81,f=-3.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN :FLIP amide:sc= 0.221 F(o=-3.8!,f=0.22) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.219 F(o=-1.7,f=-0.22) USER MOD Single : A 96 LYS NZ :NH3+ -127:sc= -0.238 (180deg=-0.407) USER MOD Single : A 97 HIS : no HD1:sc=-0.000235 X(o=-0.00023,f=-0.02) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= -0.0124 (180deg=-0.218) USER MOD Single : A 103 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0) USER MOD Single : A 109 ASN : amide:sc= -1.83 K(o=-1.8,f=-5.5!) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 115 THR OG1 : rot 170:sc= -1.24 USER MOD Single : A 116 ASN : amide:sc= -0.327 K(o=-0.33,f=-6.5!) USER MOD Single : A 117 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-6.1!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 GLN :FLIP amide:sc= -3.21! C(o=-4.7!,f=-3.2!) USER MOD Single : A 121 GLN :FLIP amide:sc= -2.29! C(o=-4.5!,f=-2.3!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 75:sc= 0.701 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN :FLIP amide:sc= -3.19! C(o=-5!,f=-3.2!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot -25:sc= 0.392 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 27 -16.205 -7.748 -11.973 1.00 0.00 N ATOM 2 CA MET A 27 -15.139 -7.991 -10.967 1.00 0.00 C ATOM 3 C MET A 27 -13.836 -7.301 -11.366 1.00 0.00 C ATOM 4 O MET A 27 -13.414 -7.378 -12.520 1.00 0.00 O ATOM 5 CB MET A 27 -14.922 -9.501 -10.841 1.00 0.00 C ATOM 6 CG MET A 27 -13.856 -9.882 -9.827 1.00 0.00 C ATOM 7 SD MET A 27 -13.628 -11.666 -9.693 1.00 0.00 S ATOM 8 CE MET A 27 -15.260 -12.179 -9.163 1.00 0.00 C ATOM 0 HA MET A 27 -15.450 -7.575 -10.008 1.00 0.00 H new ATOM 0 HB2 MET A 27 -15.864 -9.972 -10.560 1.00 0.00 H new ATOM 0 HB3 MET A 27 -14.644 -9.902 -11.816 1.00 0.00 H new ATOM 0 HG2 MET A 27 -12.910 -9.419 -10.109 1.00 0.00 H new ATOM 0 HG3 MET A 27 -14.129 -9.480 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 27 -15.200 -13.165 -8.702 1.00 0.00 H new ATOM 0 HE2 MET A 27 -15.649 -11.463 -8.439 1.00 0.00 H new ATOM 0 HE3 MET A 27 -15.926 -12.222 -10.025 1.00 0.00 H new ATOM 20 N PRO A 28 -13.178 -6.615 -10.413 1.00 0.00 N ATOM 21 CA PRO A 28 -11.917 -5.909 -10.674 1.00 0.00 C ATOM 22 C PRO A 28 -10.832 -6.844 -11.196 1.00 0.00 C ATOM 23 O PRO A 28 -10.641 -7.942 -10.675 1.00 0.00 O ATOM 24 CB PRO A 28 -11.524 -5.348 -9.303 1.00 0.00 C ATOM 25 CG PRO A 28 -12.793 -5.309 -8.523 1.00 0.00 C ATOM 26 CD PRO A 28 -13.610 -6.469 -9.012 1.00 0.00 C ATOM 0 HA PRO A 28 -12.032 -5.144 -11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.781 -5.980 -8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -11.086 -4.354 -9.394 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.597 -5.392 -7.454 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.319 -4.367 -8.679 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.414 -7.372 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -14.679 -6.269 -8.939 1.00 0.00 H new ATOM 34 N GLN A 29 -10.122 -6.398 -12.228 1.00 0.00 N ATOM 35 CA GLN A 29 -9.053 -7.194 -12.822 1.00 0.00 C ATOM 36 C GLN A 29 -7.955 -7.482 -11.805 1.00 0.00 C ATOM 37 O GLN A 29 -7.530 -6.592 -11.068 1.00 0.00 O ATOM 38 CB GLN A 29 -8.460 -6.471 -14.032 1.00 0.00 C ATOM 39 CG GLN A 29 -9.446 -6.269 -15.172 1.00 0.00 C ATOM 40 CD GLN A 29 -9.940 -7.578 -15.757 1.00 0.00 C ATOM 41 OE1 GLN A 29 -10.613 -8.360 -15.085 1.00 0.00 O ATOM 42 NE2 GLN A 29 -9.599 -7.827 -17.016 1.00 0.00 N ATOM 0 H GLN A 29 -10.267 -5.490 -12.670 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.482 -8.142 -13.146 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.083 -5.499 -13.714 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.606 -7.039 -14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.298 -5.692 -14.812 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.972 -5.681 -15.957 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.040 -7.151 -17.536 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.896 -8.694 -17.463 1.00 0.00 H new ATOM 51 N THR A 30 -7.501 -8.731 -11.770 1.00 0.00 N ATOM 52 CA THR A 30 -6.450 -9.137 -10.844 1.00 0.00 C ATOM 53 C THR A 30 -5.071 -8.713 -11.347 1.00 0.00 C ATOM 54 O THR A 30 -4.081 -9.411 -11.127 1.00 0.00 O ATOM 55 CB THR A 30 -6.459 -10.660 -10.623 1.00 0.00 C ATOM 56 OG1 THR A 30 -6.240 -11.338 -11.867 1.00 0.00 O ATOM 57 CG2 THR A 30 -7.780 -11.112 -10.020 1.00 0.00 C ATOM 0 H THR A 30 -7.845 -9.479 -12.372 1.00 0.00 H new ATOM 0 HA THR A 30 -6.653 -8.637 -9.897 1.00 0.00 H new ATOM 0 HB THR A 30 -5.657 -10.908 -9.928 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.245 -12.306 -11.717 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.762 -12.192 -9.873 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.930 -10.618 -9.060 1.00 0.00 H new ATOM 0 HG23 THR A 30 -8.596 -10.851 -10.694 1.00 0.00 H new ATOM 65 N GLU A 31 -5.015 -7.562 -12.015 1.00 0.00 N ATOM 66 CA GLU A 31 -3.760 -7.037 -12.545 1.00 0.00 C ATOM 67 C GLU A 31 -3.990 -5.712 -13.267 1.00 0.00 C ATOM 68 O GLU A 31 -3.235 -4.756 -13.084 1.00 0.00 O ATOM 69 CB GLU A 31 -3.099 -8.059 -13.483 1.00 0.00 C ATOM 70 CG GLU A 31 -3.960 -8.473 -14.670 1.00 0.00 C ATOM 71 CD GLU A 31 -3.881 -7.499 -15.831 1.00 0.00 C ATOM 72 OE1 GLU A 31 -3.077 -6.545 -15.758 1.00 0.00 O ATOM 73 OE2 GLU A 31 -4.616 -7.699 -16.821 1.00 0.00 O ATOM 0 H GLU A 31 -5.827 -6.974 -12.202 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.086 -6.855 -11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.164 -7.640 -13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.842 -8.949 -12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.649 -9.461 -15.010 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.997 -8.560 -14.346 1.00 0.00 H new ATOM 80 N ARG A 32 -5.037 -5.662 -14.085 1.00 0.00 N ATOM 81 CA ARG A 32 -5.370 -4.456 -14.830 1.00 0.00 C ATOM 82 C ARG A 32 -6.194 -3.503 -13.973 1.00 0.00 C ATOM 83 O ARG A 32 -6.804 -3.917 -12.985 1.00 0.00 O ATOM 84 CB ARG A 32 -6.135 -4.811 -16.109 1.00 0.00 C ATOM 85 CG ARG A 32 -6.429 -3.610 -16.994 1.00 0.00 C ATOM 86 CD ARG A 32 -7.166 -4.013 -18.260 1.00 0.00 C ATOM 87 NE ARG A 32 -8.459 -4.630 -17.971 1.00 0.00 N ATOM 88 CZ ARG A 32 -9.292 -5.068 -18.910 1.00 0.00 C ATOM 89 NH1 ARG A 32 -8.970 -4.959 -20.191 1.00 0.00 N ATOM 90 NH2 ARG A 32 -10.451 -5.614 -18.566 1.00 0.00 N ATOM 0 H ARG A 32 -5.670 -6.445 -14.248 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.440 -3.958 -15.104 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.557 -5.539 -16.678 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.075 -5.292 -15.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.027 -2.887 -16.439 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.494 -3.115 -17.259 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.316 -3.134 -18.887 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.552 -4.710 -18.830 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.738 -4.730 -16.995 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.081 -4.538 -20.459 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.612 -5.296 -20.909 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.703 -5.698 -17.581 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.090 -5.950 -19.286 1.00 0.00 H new ATOM 104 N GLN A 33 -6.207 -2.230 -14.363 1.00 0.00 N ATOM 105 CA GLN A 33 -6.951 -1.197 -13.655 1.00 0.00 C ATOM 106 C GLN A 33 -6.264 -0.799 -12.350 1.00 0.00 C ATOM 107 O GLN A 33 -6.304 0.365 -11.958 1.00 0.00 O ATOM 108 CB GLN A 33 -8.382 -1.653 -13.381 1.00 0.00 C ATOM 109 CG GLN A 33 -9.265 -0.539 -12.864 1.00 0.00 C ATOM 110 CD GLN A 33 -10.687 -0.991 -12.595 1.00 0.00 C ATOM 111 OE1 GLN A 33 -10.923 -1.882 -11.780 1.00 0.00 O ATOM 112 NE2 GLN A 33 -11.643 -0.376 -13.283 1.00 0.00 N ATOM 0 H GLN A 33 -5.701 -1.888 -15.180 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.978 -0.318 -14.299 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.812 -2.055 -14.298 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.367 -2.465 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.836 -0.139 -11.945 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.279 0.274 -13.590 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.401 0.358 -13.949 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.619 -0.638 -13.145 1.00 0.00 H new ATOM 121 N LEU A 34 -5.640 -1.762 -11.678 1.00 0.00 N ATOM 122 CA LEU A 34 -4.954 -1.485 -10.419 1.00 0.00 C ATOM 123 C LEU A 34 -3.848 -0.454 -10.618 1.00 0.00 C ATOM 124 O LEU A 34 -3.785 0.546 -9.905 1.00 0.00 O ATOM 125 CB LEU A 34 -4.356 -2.768 -9.836 1.00 0.00 C ATOM 126 CG LEU A 34 -5.361 -3.883 -9.532 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.634 -5.158 -9.137 1.00 0.00 C ATOM 128 CD2 LEU A 34 -6.315 -3.455 -8.428 1.00 0.00 C ATOM 0 H LEU A 34 -5.595 -2.735 -11.981 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.690 -1.084 -9.722 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.613 -3.152 -10.535 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.828 -2.517 -8.916 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.942 -4.078 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.362 -5.941 -8.924 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.987 -5.476 -9.955 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.031 -4.972 -8.248 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.022 -4.260 -8.226 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.749 -3.233 -7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.859 -2.565 -8.743 1.00 0.00 H new ATOM 140 N ARG A 35 -2.976 -0.704 -11.592 1.00 0.00 N ATOM 141 CA ARG A 35 -1.870 0.205 -11.880 1.00 0.00 C ATOM 142 C ARG A 35 -2.387 1.589 -12.257 1.00 0.00 C ATOM 143 O ARG A 35 -1.912 2.602 -11.744 1.00 0.00 O ATOM 144 CB ARG A 35 -1.006 -0.354 -13.011 1.00 0.00 C ATOM 145 CG ARG A 35 0.174 0.534 -13.372 1.00 0.00 C ATOM 146 CD ARG A 35 0.986 -0.051 -14.517 1.00 0.00 C ATOM 147 NE ARG A 35 1.532 -1.366 -14.189 1.00 0.00 N ATOM 148 CZ ARG A 35 2.415 -1.580 -13.216 1.00 0.00 C ATOM 149 NH1 ARG A 35 2.861 -0.567 -12.484 1.00 0.00 N ATOM 150 NH2 ARG A 35 2.855 -2.807 -12.978 1.00 0.00 N ATOM 0 H ARG A 35 -3.014 -1.527 -12.194 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.264 0.297 -10.979 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.635 -1.337 -12.721 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.627 -0.496 -13.895 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.187 1.524 -13.650 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.814 0.662 -12.499 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.356 -0.131 -15.403 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.802 0.628 -14.766 1.00 0.00 H new ATOM 0 HE ARG A 35 1.218 -2.167 -14.738 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.527 0.380 -12.666 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.538 -0.735 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.517 -3.588 -13.540 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.532 -2.971 -12.232 1.00 0.00 H new ATOM 164 N VAL A 36 -3.366 1.624 -13.155 1.00 0.00 N ATOM 165 CA VAL A 36 -3.952 2.883 -13.601 1.00 0.00 C ATOM 166 C VAL A 36 -4.580 3.632 -12.430 1.00 0.00 C ATOM 167 O VAL A 36 -4.492 4.857 -12.342 1.00 0.00 O ATOM 168 CB VAL A 36 -5.024 2.649 -14.685 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.622 3.972 -15.141 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.435 1.889 -15.864 1.00 0.00 C ATOM 0 H VAL A 36 -3.771 0.794 -13.589 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.146 3.482 -14.025 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.822 2.045 -14.254 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.376 3.786 -15.906 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.083 4.475 -14.291 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.835 4.604 -15.553 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.206 1.733 -16.618 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.616 2.465 -16.296 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.060 0.924 -15.524 1.00 0.00 H new ATOM 180 N TRP A 37 -5.219 2.884 -11.537 1.00 0.00 N ATOM 181 CA TRP A 37 -5.871 3.463 -10.369 1.00 0.00 C ATOM 182 C TRP A 37 -4.854 4.053 -9.392 1.00 0.00 C ATOM 183 O TRP A 37 -4.866 5.255 -9.129 1.00 0.00 O ATOM 184 CB TRP A 37 -6.747 2.392 -9.679 1.00 0.00 C ATOM 185 CG TRP A 37 -6.753 2.443 -8.172 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.671 3.549 -7.373 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.865 1.323 -7.284 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.667 3.181 -6.054 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.808 1.824 -5.971 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.997 -0.056 -7.472 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.878 0.997 -4.853 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -7.072 -0.875 -6.361 1.00 0.00 C ATOM 193 CH2 TRP A 37 -7.014 -0.347 -5.066 1.00 0.00 C ATOM 0 H TRP A 37 -5.299 1.869 -11.601 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.507 4.284 -10.700 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.772 2.499 -10.035 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.402 1.406 -9.992 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.617 4.567 -7.731 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.574 3.817 -5.262 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -7.040 -0.474 -8.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.827 1.402 -3.853 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -7.177 -1.942 -6.495 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.078 -1.014 -4.219 1.00 0.00 H new ATOM 204 N ILE A 38 -4.004 3.199 -8.833 1.00 0.00 N ATOM 205 CA ILE A 38 -3.009 3.632 -7.854 1.00 0.00 C ATOM 206 C ILE A 38 -2.239 4.857 -8.339 1.00 0.00 C ATOM 207 O ILE A 38 -2.110 5.846 -7.617 1.00 0.00 O ATOM 208 CB ILE A 38 -2.006 2.507 -7.549 1.00 0.00 C ATOM 209 CG1 ILE A 38 -2.729 1.204 -7.196 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.063 2.921 -6.429 1.00 0.00 C ATOM 211 CD1 ILE A 38 -3.541 1.274 -5.927 1.00 0.00 C ATOM 0 H ILE A 38 -3.983 2.201 -9.040 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.556 3.891 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.416 2.328 -8.448 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.387 0.931 -8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.992 0.407 -7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.361 2.112 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.513 3.813 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.639 3.134 -5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.021 0.312 -5.748 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.887 1.514 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.303 2.047 -6.025 1.00 0.00 H new ATOM 223 N GLU A 39 -1.723 4.784 -9.562 1.00 0.00 N ATOM 224 CA GLU A 39 -0.959 5.886 -10.139 1.00 0.00 C ATOM 225 C GLU A 39 -1.846 7.102 -10.392 1.00 0.00 C ATOM 226 O GLU A 39 -1.465 8.233 -10.095 1.00 0.00 O ATOM 227 CB GLU A 39 -0.296 5.445 -11.445 1.00 0.00 C ATOM 228 CG GLU A 39 0.678 4.291 -11.273 1.00 0.00 C ATOM 229 CD GLU A 39 1.329 3.874 -12.578 1.00 0.00 C ATOM 230 OE1 GLU A 39 1.017 4.488 -13.620 1.00 0.00 O ATOM 231 OE2 GLU A 39 2.150 2.934 -12.558 1.00 0.00 O ATOM 0 H GLU A 39 -1.820 3.973 -10.173 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.188 6.169 -9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.070 5.154 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.232 6.294 -11.879 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.452 4.577 -10.561 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.152 3.438 -10.845 1.00 0.00 H new ATOM 238 N GLY A 40 -3.027 6.861 -10.950 1.00 0.00 N ATOM 239 CA GLY A 40 -3.950 7.942 -11.246 1.00 0.00 C ATOM 240 C GLY A 40 -4.366 8.725 -10.015 1.00 0.00 C ATOM 241 O GLY A 40 -4.567 9.938 -10.084 1.00 0.00 O ATOM 0 H GLY A 40 -3.363 5.932 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.487 8.621 -11.962 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.839 7.532 -11.725 1.00 0.00 H new ATOM 245 N ALA A 41 -4.510 8.030 -8.890 1.00 0.00 N ATOM 246 CA ALA A 41 -4.921 8.666 -7.643 1.00 0.00 C ATOM 247 C ALA A 41 -3.979 9.798 -7.246 1.00 0.00 C ATOM 248 O ALA A 41 -4.362 10.969 -7.258 1.00 0.00 O ATOM 249 CB ALA A 41 -4.994 7.633 -6.529 1.00 0.00 C ATOM 0 H ALA A 41 -4.348 7.026 -8.817 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.909 9.099 -7.803 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.302 8.118 -5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.719 6.863 -6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.014 7.176 -6.391 1.00 0.00 H new ATOM 255 N THR A 42 -2.750 9.442 -6.889 1.00 0.00 N ATOM 256 CA THR A 42 -1.760 10.431 -6.481 1.00 0.00 C ATOM 257 C THR A 42 -0.995 10.985 -7.678 1.00 0.00 C ATOM 258 O THR A 42 -0.977 12.193 -7.913 1.00 0.00 O ATOM 259 CB THR A 42 -0.756 9.830 -5.479 1.00 0.00 C ATOM 260 OG1 THR A 42 -0.063 8.729 -6.079 1.00 0.00 O ATOM 261 CG2 THR A 42 -1.470 9.359 -4.220 1.00 0.00 C ATOM 0 H THR A 42 -2.416 8.478 -6.874 1.00 0.00 H new ATOM 0 HA THR A 42 -2.307 11.244 -6.003 1.00 0.00 H new ATOM 0 HB THR A 42 -0.039 10.604 -5.206 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.574 8.354 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.743 8.938 -3.525 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.974 10.204 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.205 8.598 -4.482 1.00 0.00 H new ATOM 269 N GLY A 43 -0.359 10.091 -8.425 1.00 0.00 N ATOM 270 CA GLY A 43 0.411 10.497 -9.584 1.00 0.00 C ATOM 271 C GLY A 43 1.841 10.016 -9.492 1.00 0.00 C ATOM 272 O GLY A 43 2.778 10.761 -9.781 1.00 0.00 O ATOM 0 H GLY A 43 -0.363 9.087 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.051 10.099 -10.487 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.396 11.583 -9.670 1.00 0.00 H new ATOM 276 N ARG A 44 2.007 8.765 -9.071 1.00 0.00 N ATOM 277 CA ARG A 44 3.330 8.179 -8.917 1.00 0.00 C ATOM 278 C ARG A 44 3.407 6.807 -9.573 1.00 0.00 C ATOM 279 O ARG A 44 2.565 5.942 -9.327 1.00 0.00 O ATOM 280 CB ARG A 44 3.673 8.055 -7.431 1.00 0.00 C ATOM 281 CG ARG A 44 3.561 9.361 -6.666 1.00 0.00 C ATOM 282 CD ARG A 44 4.469 10.416 -7.263 1.00 0.00 C ATOM 283 NE ARG A 44 4.302 11.716 -6.619 1.00 0.00 N ATOM 284 CZ ARG A 44 4.988 12.803 -6.962 1.00 0.00 C ATOM 285 NH1 ARG A 44 5.884 12.745 -7.939 1.00 0.00 N ATOM 286 NH2 ARG A 44 4.777 13.949 -6.328 1.00 0.00 N ATOM 0 H ARG A 44 1.239 8.139 -8.831 1.00 0.00 H new ATOM 0 HA ARG A 44 4.048 8.835 -9.409 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.010 7.319 -6.975 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.689 7.673 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.529 9.711 -6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.824 9.199 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.507 10.096 -7.168 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.261 10.511 -8.329 1.00 0.00 H new ATOM 0 HE ARG A 44 3.621 11.795 -5.864 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.048 11.866 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.409 13.580 -8.200 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.088 13.997 -5.577 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.303 14.782 -6.591 1.00 0.00 H new ATOM 300 N ARG A 45 4.431 6.608 -10.395 1.00 0.00 N ATOM 301 CA ARG A 45 4.629 5.335 -11.073 1.00 0.00 C ATOM 302 C ARG A 45 5.143 4.288 -10.091 1.00 0.00 C ATOM 303 O ARG A 45 6.093 4.538 -9.350 1.00 0.00 O ATOM 304 CB ARG A 45 5.616 5.495 -12.232 1.00 0.00 C ATOM 305 CG ARG A 45 5.165 6.497 -13.285 1.00 0.00 C ATOM 306 CD ARG A 45 3.867 6.067 -13.949 1.00 0.00 C ATOM 307 NE ARG A 45 3.427 7.019 -14.966 1.00 0.00 N ATOM 308 CZ ARG A 45 3.092 8.280 -14.705 1.00 0.00 C ATOM 309 NH1 ARG A 45 3.130 8.739 -13.460 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.714 9.084 -15.689 1.00 0.00 N ATOM 0 H ARG A 45 5.137 7.313 -10.607 1.00 0.00 H new ATOM 0 HA ARG A 45 3.670 5.004 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.582 5.808 -11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.766 4.525 -12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.031 7.475 -12.823 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.942 6.605 -14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.002 5.086 -14.405 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.090 5.962 -13.191 1.00 0.00 H new ATOM 0 HE ARG A 45 3.373 6.698 -15.933 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.417 8.124 -12.698 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.872 9.706 -13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.680 8.736 -16.647 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.457 10.050 -15.488 1.00 0.00 H new ATOM 324 N ILE A 46 4.509 3.120 -10.086 1.00 0.00 N ATOM 325 CA ILE A 46 4.908 2.043 -9.188 1.00 0.00 C ATOM 326 C ILE A 46 6.393 1.727 -9.338 1.00 0.00 C ATOM 327 O ILE A 46 7.139 1.720 -8.357 1.00 0.00 O ATOM 328 CB ILE A 46 4.087 0.761 -9.452 1.00 0.00 C ATOM 329 CG1 ILE A 46 2.601 1.006 -9.171 1.00 0.00 C ATOM 330 CG2 ILE A 46 4.609 -0.396 -8.613 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.302 1.386 -7.736 1.00 0.00 C ATOM 0 H ILE A 46 3.719 2.896 -10.692 1.00 0.00 H new ATOM 0 HA ILE A 46 4.715 2.385 -8.171 1.00 0.00 H new ATOM 0 HB ILE A 46 4.198 0.495 -10.503 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.243 1.798 -9.828 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.041 0.106 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.016 -1.288 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.652 -0.588 -8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.534 -0.142 -7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.230 1.543 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.628 0.585 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.833 2.304 -7.485 1.00 0.00 H new ATOM 343 N GLY A 47 6.815 1.469 -10.571 1.00 0.00 N ATOM 344 CA GLY A 47 8.210 1.162 -10.832 1.00 0.00 C ATOM 345 C GLY A 47 8.377 0.089 -11.888 1.00 0.00 C ATOM 346 O GLY A 47 7.594 0.015 -12.836 1.00 0.00 O ATOM 0 H GLY A 47 6.215 1.467 -11.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.725 2.068 -11.153 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.687 0.836 -9.908 1.00 0.00 H new ATOM 350 N ASP A 48 9.395 -0.751 -11.722 1.00 0.00 N ATOM 351 CA ASP A 48 9.655 -1.830 -12.667 1.00 0.00 C ATOM 352 C ASP A 48 8.710 -3.000 -12.418 1.00 0.00 C ATOM 353 O ASP A 48 7.994 -3.438 -13.320 1.00 0.00 O ATOM 354 CB ASP A 48 11.107 -2.298 -12.556 1.00 0.00 C ATOM 355 CG ASP A 48 12.097 -1.188 -12.853 1.00 0.00 C ATOM 356 OD1 ASP A 48 12.060 -0.647 -13.979 1.00 0.00 O ATOM 357 OD2 ASP A 48 12.907 -0.861 -11.962 1.00 0.00 O ATOM 0 H ASP A 48 10.052 -0.705 -10.943 1.00 0.00 H new ATOM 0 HA ASP A 48 9.483 -1.450 -13.674 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.286 -2.682 -11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.273 -3.124 -13.247 1.00 0.00 H new ATOM 362 N ASN A 49 8.708 -3.497 -11.184 1.00 0.00 N ATOM 363 CA ASN A 49 7.848 -4.612 -10.808 1.00 0.00 C ATOM 364 C ASN A 49 6.581 -4.102 -10.127 1.00 0.00 C ATOM 365 O ASN A 49 6.638 -3.200 -9.291 1.00 0.00 O ATOM 366 CB ASN A 49 8.594 -5.570 -9.876 1.00 0.00 C ATOM 367 CG ASN A 49 7.831 -6.858 -9.638 1.00 0.00 C ATOM 368 OD1 ASN A 49 6.703 -6.846 -9.148 1.00 0.00 O ATOM 369 ND2 ASN A 49 8.448 -7.983 -9.986 1.00 0.00 N ATOM 0 H ASN A 49 9.294 -3.144 -10.427 1.00 0.00 H new ATOM 0 HA ASN A 49 7.567 -5.150 -11.714 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.569 -5.803 -10.304 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.774 -5.076 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.985 -8.882 -9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.384 -7.947 -10.389 1.00 0.00 H new ATOM 376 N PHE A 50 5.442 -4.679 -10.491 1.00 0.00 N ATOM 377 CA PHE A 50 4.165 -4.276 -9.913 1.00 0.00 C ATOM 378 C PHE A 50 4.098 -4.617 -8.426 1.00 0.00 C ATOM 379 O PHE A 50 3.739 -3.776 -7.601 1.00 0.00 O ATOM 380 CB PHE A 50 3.011 -4.956 -10.656 1.00 0.00 C ATOM 381 CG PHE A 50 1.650 -4.574 -10.145 1.00 0.00 C ATOM 382 CD1 PHE A 50 1.312 -3.243 -9.952 1.00 0.00 C ATOM 383 CD2 PHE A 50 0.706 -5.548 -9.858 1.00 0.00 C ATOM 384 CE1 PHE A 50 0.059 -2.892 -9.485 1.00 0.00 C ATOM 385 CE2 PHE A 50 -0.548 -5.202 -9.390 1.00 0.00 C ATOM 386 CZ PHE A 50 -0.871 -3.873 -9.203 1.00 0.00 C ATOM 0 H PHE A 50 5.376 -5.426 -11.182 1.00 0.00 H new ATOM 0 HA PHE A 50 4.075 -3.195 -10.019 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.075 -4.704 -11.715 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.128 -6.037 -10.578 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.036 -2.472 -10.169 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.953 -6.589 -10.002 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.192 -1.852 -9.341 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.274 -5.971 -9.171 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.850 -3.601 -8.837 1.00 0.00 H new ATOM 396 N MET A 51 4.440 -5.857 -8.092 1.00 0.00 N ATOM 397 CA MET A 51 4.412 -6.316 -6.706 1.00 0.00 C ATOM 398 C MET A 51 5.550 -5.698 -5.899 1.00 0.00 C ATOM 399 O MET A 51 5.327 -5.096 -4.849 1.00 0.00 O ATOM 400 CB MET A 51 4.526 -7.840 -6.658 1.00 0.00 C ATOM 401 CG MET A 51 3.672 -8.543 -7.698 1.00 0.00 C ATOM 402 SD MET A 51 1.920 -8.148 -7.550 1.00 0.00 S ATOM 403 CE MET A 51 1.575 -8.775 -5.911 1.00 0.00 C ATOM 0 H MET A 51 4.741 -6.564 -8.763 1.00 0.00 H new ATOM 0 HA MET A 51 3.465 -6.003 -6.267 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.568 -8.123 -6.803 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.236 -8.187 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.019 -8.266 -8.693 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.806 -9.621 -7.603 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.535 -8.573 -5.656 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.753 -9.850 -5.888 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.227 -8.284 -5.189 1.00 0.00 H new ATOM 413 N ASP A 52 6.769 -5.863 -6.400 1.00 0.00 N ATOM 414 CA ASP A 52 7.954 -5.337 -5.741 1.00 0.00 C ATOM 415 C ASP A 52 7.882 -3.821 -5.585 1.00 0.00 C ATOM 416 O ASP A 52 8.369 -3.267 -4.600 1.00 0.00 O ATOM 417 CB ASP A 52 9.200 -5.726 -6.535 1.00 0.00 C ATOM 418 CG ASP A 52 9.384 -7.228 -6.629 1.00 0.00 C ATOM 419 OD1 ASP A 52 8.545 -7.967 -6.071 1.00 0.00 O ATOM 420 OD2 ASP A 52 10.369 -7.666 -7.260 1.00 0.00 O ATOM 0 H ASP A 52 6.961 -6.362 -7.269 1.00 0.00 H new ATOM 0 HA ASP A 52 8.007 -5.770 -4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.132 -5.308 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.079 -5.284 -6.065 1.00 0.00 H new ATOM 425 N GLY A 53 7.276 -3.154 -6.563 1.00 0.00 N ATOM 426 CA GLY A 53 7.157 -1.708 -6.511 1.00 0.00 C ATOM 427 C GLY A 53 6.099 -1.244 -5.527 1.00 0.00 C ATOM 428 O GLY A 53 5.409 -0.253 -5.764 1.00 0.00 O ATOM 0 H GLY A 53 6.866 -3.589 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.119 -1.278 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.914 -1.331 -7.505 1.00 0.00 H new ATOM 432 N LEU A 54 5.977 -1.962 -4.419 1.00 0.00 N ATOM 433 CA LEU A 54 5.006 -1.630 -3.386 1.00 0.00 C ATOM 434 C LEU A 54 5.663 -1.672 -2.012 1.00 0.00 C ATOM 435 O LEU A 54 5.184 -1.053 -1.062 1.00 0.00 O ATOM 436 CB LEU A 54 3.824 -2.603 -3.434 1.00 0.00 C ATOM 437 CG LEU A 54 3.059 -2.633 -4.761 1.00 0.00 C ATOM 438 CD1 LEU A 54 1.962 -3.683 -4.719 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.472 -1.265 -5.075 1.00 0.00 C ATOM 0 H LEU A 54 6.543 -2.785 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 54 4.636 -0.621 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.191 -3.607 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.127 -2.343 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 54 3.760 -2.895 -5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.429 -3.690 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.404 -4.664 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.265 -3.449 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.933 -1.309 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.786 -0.972 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.276 -0.532 -5.149 1.00 0.00 H new ATOM 451 N LYS A 55 6.766 -2.410 -1.923 1.00 0.00 N ATOM 452 CA LYS A 55 7.509 -2.549 -0.676 1.00 0.00 C ATOM 453 C LYS A 55 7.821 -1.185 -0.066 1.00 0.00 C ATOM 454 O LYS A 55 7.807 -1.024 1.153 1.00 0.00 O ATOM 455 CB LYS A 55 8.805 -3.314 -0.933 1.00 0.00 C ATOM 456 CG LYS A 55 8.586 -4.654 -1.617 1.00 0.00 C ATOM 457 CD LYS A 55 9.900 -5.303 -2.017 1.00 0.00 C ATOM 458 CE LYS A 55 10.673 -4.441 -3.003 1.00 0.00 C ATOM 459 NZ LYS A 55 11.959 -5.074 -3.407 1.00 0.00 N ATOM 0 H LYS A 55 7.167 -2.925 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 55 6.892 -3.103 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.464 -2.702 -1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.317 -3.477 0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.041 -5.319 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.965 -4.514 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.507 -5.474 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.704 -6.279 -2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.062 -4.265 -3.888 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.873 -3.468 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.455 -4.454 -4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.554 -5.219 -2.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.768 -5.991 -3.858 1.00 0.00 H new ATOM 473 N ASP A 56 8.103 -0.204 -0.918 1.00 0.00 N ATOM 474 CA ASP A 56 8.416 1.141 -0.452 1.00 0.00 C ATOM 475 C ASP A 56 7.283 1.685 0.416 1.00 0.00 C ATOM 476 O ASP A 56 7.523 2.357 1.418 1.00 0.00 O ATOM 477 CB ASP A 56 8.671 2.075 -1.638 1.00 0.00 C ATOM 478 CG ASP A 56 7.438 2.274 -2.497 1.00 0.00 C ATOM 479 OD1 ASP A 56 6.923 1.273 -3.037 1.00 0.00 O ATOM 480 OD2 ASP A 56 6.987 3.431 -2.629 1.00 0.00 O ATOM 0 H ASP A 56 8.121 -0.315 -1.932 1.00 0.00 H new ATOM 0 HA ASP A 56 9.322 1.091 0.152 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.012 3.042 -1.268 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.475 1.667 -2.251 1.00 0.00 H new ATOM 485 N GLY A 57 6.049 1.379 0.024 1.00 0.00 N ATOM 486 CA GLY A 57 4.888 1.830 0.773 1.00 0.00 C ATOM 487 C GLY A 57 4.767 3.341 0.827 1.00 0.00 C ATOM 488 O GLY A 57 4.342 3.900 1.836 1.00 0.00 O ATOM 0 H GLY A 57 5.832 0.824 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.987 1.415 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.944 1.439 1.789 1.00 0.00 H new ATOM 492 N VAL A 58 5.130 3.998 -0.266 1.00 0.00 N ATOM 493 CA VAL A 58 5.052 5.449 -0.349 1.00 0.00 C ATOM 494 C VAL A 58 3.890 5.871 -1.233 1.00 0.00 C ATOM 495 O VAL A 58 3.024 6.633 -0.813 1.00 0.00 O ATOM 496 CB VAL A 58 6.349 6.052 -0.914 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.257 7.570 -0.970 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.544 5.615 -0.081 1.00 0.00 C ATOM 0 H VAL A 58 5.483 3.547 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 58 4.902 5.821 0.665 1.00 0.00 H new ATOM 0 HB VAL A 58 6.486 5.684 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.185 7.976 -1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.425 7.861 -1.612 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.095 7.962 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.454 6.050 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.414 5.953 0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.622 4.528 -0.098 1.00 0.00 H new ATOM 508 N ILE A 59 3.869 5.360 -2.458 1.00 0.00 N ATOM 509 CA ILE A 59 2.799 5.683 -3.387 1.00 0.00 C ATOM 510 C ILE A 59 1.469 5.193 -2.833 1.00 0.00 C ATOM 511 O ILE A 59 0.465 5.904 -2.875 1.00 0.00 O ATOM 512 CB ILE A 59 3.038 5.059 -4.777 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.390 5.515 -5.335 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.907 5.433 -5.726 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.680 5.015 -6.734 1.00 0.00 C ATOM 0 H ILE A 59 4.577 4.725 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 59 2.779 6.767 -3.503 1.00 0.00 H new ATOM 0 HB ILE A 59 3.055 3.974 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.422 6.605 -5.336 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.181 5.173 -4.667 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.089 4.986 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.961 5.064 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.860 6.517 -5.826 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.655 5.381 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.682 3.925 -6.738 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.912 5.378 -7.417 1.00 0.00 H new ATOM 527 N LEU A 60 1.477 3.977 -2.292 1.00 0.00 N ATOM 528 CA LEU A 60 0.279 3.398 -1.703 1.00 0.00 C ATOM 529 C LEU A 60 -0.133 4.200 -0.478 1.00 0.00 C ATOM 530 O LEU A 60 -1.311 4.504 -0.288 1.00 0.00 O ATOM 531 CB LEU A 60 0.518 1.937 -1.322 1.00 0.00 C ATOM 532 CG LEU A 60 0.823 1.003 -2.493 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.065 -0.412 -1.991 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.313 1.027 -3.507 1.00 0.00 C ATOM 0 H LEU A 60 2.300 3.376 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.524 3.433 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.348 1.893 -0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.364 1.565 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 60 1.729 1.353 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.281 -1.066 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.912 -0.415 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.176 -0.771 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.078 0.356 -4.333 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.236 0.702 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.440 2.041 -3.888 1.00 0.00 H new ATOM 546 N CYS A 61 0.854 4.558 0.342 1.00 0.00 N ATOM 547 CA CYS A 61 0.599 5.346 1.537 1.00 0.00 C ATOM 548 C CYS A 61 -0.077 6.649 1.129 1.00 0.00 C ATOM 549 O CYS A 61 -0.998 7.129 1.791 1.00 0.00 O ATOM 550 CB CYS A 61 1.911 5.630 2.279 1.00 0.00 C ATOM 551 SG CYS A 61 2.644 7.242 1.919 1.00 0.00 S ATOM 0 H CYS A 61 1.834 4.314 0.197 1.00 0.00 H new ATOM 0 HA CYS A 61 -0.054 4.792 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.729 5.559 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.632 4.853 2.026 1.00 0.00 H new ATOM 0 HG CYS A 61 3.260 7.193 0.775 1.00 0.00 H new ATOM 557 N GLU A 62 0.390 7.195 0.010 1.00 0.00 N ATOM 558 CA GLU A 62 -0.141 8.421 -0.547 1.00 0.00 C ATOM 559 C GLU A 62 -1.561 8.215 -1.069 1.00 0.00 C ATOM 560 O GLU A 62 -2.404 9.107 -0.979 1.00 0.00 O ATOM 561 CB GLU A 62 0.780 8.876 -1.673 1.00 0.00 C ATOM 562 CG GLU A 62 2.126 9.376 -1.180 1.00 0.00 C ATOM 563 CD GLU A 62 2.028 10.688 -0.427 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.344 10.725 0.618 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.637 11.679 -0.882 1.00 0.00 O ATOM 0 H GLU A 62 1.152 6.792 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.187 9.184 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.938 8.046 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.289 9.669 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.572 8.623 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.796 9.500 -2.031 1.00 0.00 H new ATOM 572 N LEU A 63 -1.812 7.027 -1.616 1.00 0.00 N ATOM 573 CA LEU A 63 -3.120 6.683 -2.158 1.00 0.00 C ATOM 574 C LEU A 63 -4.216 6.851 -1.110 1.00 0.00 C ATOM 575 O LEU A 63 -5.135 7.652 -1.281 1.00 0.00 O ATOM 576 CB LEU A 63 -3.101 5.239 -2.662 1.00 0.00 C ATOM 577 CG LEU A 63 -4.470 4.637 -2.963 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.124 5.347 -4.136 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.348 3.147 -3.241 1.00 0.00 C ATOM 0 H LEU A 63 -1.119 6.283 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.337 7.360 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.496 5.195 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.605 4.618 -1.917 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.103 4.773 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.099 4.902 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.249 6.403 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.494 5.246 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.334 2.735 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.696 2.989 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.926 2.647 -2.369 1.00 0.00 H new ATOM 591 N ILE A 64 -4.111 6.090 -0.025 1.00 0.00 N ATOM 592 CA ILE A 64 -5.093 6.157 1.049 1.00 0.00 C ATOM 593 C ILE A 64 -5.051 7.515 1.735 1.00 0.00 C ATOM 594 O ILE A 64 -6.070 8.019 2.201 1.00 0.00 O ATOM 595 CB ILE A 64 -4.868 5.045 2.092 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.940 5.099 3.177 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.478 5.152 2.701 1.00 0.00 C ATOM 598 CD1 ILE A 64 -7.337 4.818 2.665 1.00 0.00 C ATOM 0 H ILE A 64 -3.357 5.421 0.133 1.00 0.00 H new ATOM 0 HA ILE A 64 -6.074 6.013 0.597 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.944 4.082 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.695 4.375 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.924 6.084 3.643 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.340 4.358 3.435 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.728 5.055 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.368 6.120 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.045 4.874 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.603 5.557 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.370 3.821 2.226 1.00 0.00 H new ATOM 610 N ASN A 65 -3.861 8.106 1.788 1.00 0.00 N ATOM 611 CA ASN A 65 -3.680 9.413 2.410 1.00 0.00 C ATOM 612 C ASN A 65 -4.698 10.412 1.868 1.00 0.00 C ATOM 613 O ASN A 65 -5.119 11.331 2.571 1.00 0.00 O ATOM 614 CB ASN A 65 -2.257 9.920 2.158 1.00 0.00 C ATOM 615 CG ASN A 65 -1.964 11.225 2.867 1.00 0.00 C ATOM 616 OD1 ASN A 65 -2.626 12.238 2.637 1.00 0.00 O ATOM 617 ND2 ASN A 65 -0.959 11.207 3.734 1.00 0.00 N ATOM 0 H ASN A 65 -3.007 7.700 1.407 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.837 9.311 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.544 9.165 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.108 10.053 1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.708 12.056 4.241 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.438 10.345 3.893 1.00 0.00 H new ATOM 624 N LYS A 66 -5.087 10.224 0.610 1.00 0.00 N ATOM 625 CA LYS A 66 -6.046 11.095 -0.038 1.00 0.00 C ATOM 626 C LYS A 66 -7.471 10.754 0.381 1.00 0.00 C ATOM 627 O LYS A 66 -8.234 11.626 0.798 1.00 0.00 O ATOM 628 CB LYS A 66 -5.908 10.959 -1.552 1.00 0.00 C ATOM 629 CG LYS A 66 -4.533 11.321 -2.082 1.00 0.00 C ATOM 630 CD LYS A 66 -4.168 12.756 -1.744 1.00 0.00 C ATOM 631 CE LYS A 66 -2.840 13.144 -2.365 1.00 0.00 C ATOM 632 NZ LYS A 66 -2.461 14.547 -2.042 1.00 0.00 N ATOM 0 H LYS A 66 -4.745 9.466 0.019 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.841 12.122 0.265 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.137 9.932 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.651 11.596 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.789 10.646 -1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.510 11.183 -3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.949 13.427 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.115 12.876 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.063 12.468 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.897 13.024 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.547 14.771 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.190 15.195 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.381 14.656 -1.011 1.00 0.00 H new ATOM 646 N LEU A 67 -7.825 9.479 0.258 1.00 0.00 N ATOM 647 CA LEU A 67 -9.161 9.014 0.611 1.00 0.00 C ATOM 648 C LEU A 67 -9.407 9.132 2.111 1.00 0.00 C ATOM 649 O LEU A 67 -10.334 9.818 2.543 1.00 0.00 O ATOM 650 CB LEU A 67 -9.343 7.562 0.166 1.00 0.00 C ATOM 651 CG LEU A 67 -9.074 7.301 -1.318 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.239 5.822 -1.637 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.999 8.141 -2.187 1.00 0.00 C ATOM 0 H LEU A 67 -7.203 8.747 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.886 9.645 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.679 6.931 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.363 7.253 0.395 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.045 7.589 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.044 5.654 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.535 5.241 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.257 5.510 -1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.792 7.941 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.036 7.887 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.833 9.198 -1.979 1.00 0.00 H new ATOM 665 N GLN A 68 -8.576 8.460 2.900 1.00 0.00 N ATOM 666 CA GLN A 68 -8.711 8.493 4.349 1.00 0.00 C ATOM 667 C GLN A 68 -7.888 9.630 4.952 1.00 0.00 C ATOM 668 O GLN A 68 -6.670 9.686 4.786 1.00 0.00 O ATOM 669 CB GLN A 68 -8.281 7.155 4.953 1.00 0.00 C ATOM 670 CG GLN A 68 -8.416 7.097 6.467 1.00 0.00 C ATOM 671 CD GLN A 68 -7.984 5.764 7.055 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.553 4.842 6.199 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.036 5.566 8.268 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.804 7.887 2.560 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.760 8.669 4.586 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.880 6.358 4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.243 6.960 4.682 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.817 7.893 6.910 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.454 7.288 6.741 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.373 6.300 8.891 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -7.742 4.668 8.651 1.00 0.00 H new ATOM 682 N PRO A 69 -8.552 10.553 5.660 1.00 0.00 N ATOM 683 CA PRO A 69 -7.894 11.696 6.295 1.00 0.00 C ATOM 684 C PRO A 69 -6.717 11.282 7.175 1.00 0.00 C ATOM 685 O PRO A 69 -6.865 10.456 8.077 1.00 0.00 O ATOM 686 CB PRO A 69 -9.000 12.302 7.158 1.00 0.00 C ATOM 687 CG PRO A 69 -10.269 11.891 6.513 1.00 0.00 C ATOM 688 CD PRO A 69 -10.005 10.556 5.885 1.00 0.00 C ATOM 0 HA PRO A 69 -7.474 12.380 5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.944 11.936 8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.915 13.388 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.074 11.825 7.245 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.579 12.619 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.310 9.739 6.539 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.554 10.438 4.951 1.00 0.00 H new ATOM 696 N GLY A 70 -5.553 11.874 6.917 1.00 0.00 N ATOM 697 CA GLY A 70 -4.366 11.572 7.701 1.00 0.00 C ATOM 698 C GLY A 70 -4.058 10.087 7.782 1.00 0.00 C ATOM 699 O GLY A 70 -3.821 9.558 8.868 1.00 0.00 O ATOM 0 H GLY A 70 -5.410 12.560 6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.511 12.090 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.496 11.964 8.710 1.00 0.00 H new ATOM 703 N SER A 71 -4.056 9.413 6.635 1.00 0.00 N ATOM 704 CA SER A 71 -3.767 7.983 6.594 1.00 0.00 C ATOM 705 C SER A 71 -2.341 7.699 7.054 1.00 0.00 C ATOM 706 O SER A 71 -2.098 6.770 7.824 1.00 0.00 O ATOM 707 CB SER A 71 -3.967 7.438 5.180 1.00 0.00 C ATOM 708 OG SER A 71 -5.306 7.601 4.757 1.00 0.00 O ATOM 0 H SER A 71 -4.250 9.832 5.726 1.00 0.00 H new ATOM 0 HA SER A 71 -4.459 7.484 7.273 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.299 7.954 4.490 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.700 6.382 5.153 1.00 0.00 H new ATOM 0 HG SER A 71 -5.476 8.547 4.568 1.00 0.00 H new ATOM 714 N VAL A 72 -1.401 8.507 6.572 1.00 0.00 N ATOM 715 CA VAL A 72 0.003 8.346 6.927 1.00 0.00 C ATOM 716 C VAL A 72 0.650 9.696 7.215 1.00 0.00 C ATOM 717 O VAL A 72 0.479 10.651 6.457 1.00 0.00 O ATOM 718 CB VAL A 72 0.791 7.647 5.799 1.00 0.00 C ATOM 719 CG1 VAL A 72 2.244 7.448 6.204 1.00 0.00 C ATOM 720 CG2 VAL A 72 0.147 6.318 5.432 1.00 0.00 C ATOM 0 H VAL A 72 -1.588 9.280 5.934 1.00 0.00 H new ATOM 0 HA VAL A 72 0.036 7.726 7.823 1.00 0.00 H new ATOM 0 HB VAL A 72 0.766 8.289 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.783 6.954 5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.701 8.417 6.406 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.290 6.831 7.101 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.720 5.844 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.133 5.667 6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.874 6.490 5.092 1.00 0.00 H new ATOM 730 N GLN A 73 1.395 9.768 8.315 1.00 0.00 N ATOM 731 CA GLN A 73 2.071 11.001 8.702 1.00 0.00 C ATOM 732 C GLN A 73 3.188 11.336 7.715 1.00 0.00 C ATOM 733 O GLN A 73 3.023 11.178 6.506 1.00 0.00 O ATOM 734 CB GLN A 73 2.634 10.870 10.120 1.00 0.00 C ATOM 735 CG GLN A 73 1.573 10.593 11.173 1.00 0.00 C ATOM 736 CD GLN A 73 2.154 10.467 12.567 1.00 0.00 C ATOM 737 OE1 GLN A 73 2.991 9.602 12.828 1.00 0.00 O ATOM 738 NE2 GLN A 73 1.714 11.332 13.472 1.00 0.00 N ATOM 0 H GLN A 73 1.545 8.987 8.953 1.00 0.00 H new ATOM 0 HA GLN A 73 1.345 11.814 8.685 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.369 10.066 10.137 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.160 11.789 10.379 1.00 0.00 H new ATOM 0 HG2 GLN A 73 0.837 11.397 11.162 1.00 0.00 H new ATOM 0 HG3 GLN A 73 1.045 9.674 10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 73 1.020 12.033 13.212 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.070 11.296 14.427 1.00 0.00 H new ATOM 747 N LYS A 74 4.327 11.792 8.230 1.00 0.00 N ATOM 748 CA LYS A 74 5.460 12.135 7.378 1.00 0.00 C ATOM 749 C LYS A 74 5.960 10.900 6.639 1.00 0.00 C ATOM 750 O LYS A 74 6.378 9.922 7.260 1.00 0.00 O ATOM 751 CB LYS A 74 6.589 12.740 8.213 1.00 0.00 C ATOM 752 CG LYS A 74 6.188 14.003 8.957 1.00 0.00 C ATOM 753 CD LYS A 74 7.341 14.557 9.778 1.00 0.00 C ATOM 754 CE LYS A 74 6.938 15.818 10.524 1.00 0.00 C ATOM 755 NZ LYS A 74 8.060 16.366 11.336 1.00 0.00 N ATOM 0 H LYS A 74 4.489 11.932 9.227 1.00 0.00 H new ATOM 0 HA LYS A 74 5.131 12.873 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.934 11.998 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.432 12.966 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 74 5.854 14.756 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.344 13.788 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.677 13.803 10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 74 8.184 14.775 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.605 16.571 9.810 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.092 15.600 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.744 17.226 11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 8.361 15.657 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.859 16.599 10.712 1.00 0.00 H new ATOM 769 N VAL A 75 5.912 10.947 5.312 1.00 0.00 N ATOM 770 CA VAL A 75 6.357 9.826 4.495 1.00 0.00 C ATOM 771 C VAL A 75 7.880 9.780 4.405 1.00 0.00 C ATOM 772 O VAL A 75 8.515 10.740 3.970 1.00 0.00 O ATOM 773 CB VAL A 75 5.769 9.900 3.072 1.00 0.00 C ATOM 774 CG1 VAL A 75 6.166 8.672 2.267 1.00 0.00 C ATOM 775 CG2 VAL A 75 4.256 10.048 3.125 1.00 0.00 C ATOM 0 H VAL A 75 5.570 11.748 4.781 1.00 0.00 H new ATOM 0 HA VAL A 75 5.999 8.918 4.981 1.00 0.00 H new ATOM 0 HB VAL A 75 6.178 10.780 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.742 8.741 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.252 8.617 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.788 7.776 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.860 10.099 2.111 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.824 9.190 3.641 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.998 10.961 3.661 1.00 0.00 H new ATOM 785 N ASN A 76 8.457 8.654 4.815 1.00 0.00 N ATOM 786 CA ASN A 76 9.905 8.478 4.775 1.00 0.00 C ATOM 787 C ASN A 76 10.359 8.056 3.383 1.00 0.00 C ATOM 788 O ASN A 76 9.788 7.142 2.787 1.00 0.00 O ATOM 789 CB ASN A 76 10.344 7.428 5.798 1.00 0.00 C ATOM 790 CG ASN A 76 9.883 7.754 7.204 1.00 0.00 C ATOM 791 OD1 ASN A 76 9.118 6.846 7.798 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 10.214 8.806 7.752 1.00 0.00 N flip ATOM 0 H ASN A 76 7.944 7.851 5.178 1.00 0.00 H new ATOM 0 HA ASN A 76 10.367 9.434 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.948 6.455 5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.431 7.347 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.804 9.475 7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.899 9.008 8.701 1.00 0.00 H new ATOM 799 N ASP A 77 11.391 8.716 2.870 1.00 0.00 N ATOM 800 CA ASP A 77 11.917 8.390 1.550 1.00 0.00 C ATOM 801 C ASP A 77 12.552 7.001 1.561 1.00 0.00 C ATOM 802 O ASP A 77 13.476 6.741 2.331 1.00 0.00 O ATOM 803 CB ASP A 77 12.947 9.433 1.113 1.00 0.00 C ATOM 804 CG ASP A 77 12.359 10.828 1.021 1.00 0.00 C ATOM 805 OD1 ASP A 77 11.149 10.983 1.290 1.00 0.00 O ATOM 806 OD2 ASP A 77 13.109 11.766 0.677 1.00 0.00 O ATOM 0 H ASP A 77 11.878 9.476 3.345 1.00 0.00 H new ATOM 0 HA ASP A 77 11.091 8.394 0.839 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.777 9.438 1.820 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.356 9.150 0.143 1.00 0.00 H new ATOM 811 N PRO A 78 12.066 6.083 0.706 1.00 0.00 N ATOM 812 CA PRO A 78 12.598 4.718 0.632 1.00 0.00 C ATOM 813 C PRO A 78 14.017 4.682 0.074 1.00 0.00 C ATOM 814 O PRO A 78 14.251 5.061 -1.074 1.00 0.00 O ATOM 815 CB PRO A 78 11.621 4.011 -0.314 1.00 0.00 C ATOM 816 CG PRO A 78 11.056 5.103 -1.154 1.00 0.00 C ATOM 817 CD PRO A 78 10.965 6.299 -0.252 1.00 0.00 C ATOM 0 HA PRO A 78 12.671 4.249 1.613 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.130 3.264 -0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 78 10.839 3.491 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.695 5.307 -2.013 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.075 4.830 -1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.089 7.230 -0.804 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.999 6.352 0.250 1.00 0.00 H new ATOM 825 N VAL A 79 14.961 4.220 0.894 1.00 0.00 N ATOM 826 CA VAL A 79 16.363 4.132 0.489 1.00 0.00 C ATOM 827 C VAL A 79 17.088 3.027 1.254 1.00 0.00 C ATOM 828 O VAL A 79 17.584 2.071 0.659 1.00 0.00 O ATOM 829 CB VAL A 79 17.111 5.463 0.734 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.581 5.327 0.363 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.470 6.605 -0.040 1.00 0.00 C ATOM 0 H VAL A 79 14.779 3.900 1.845 1.00 0.00 H new ATOM 0 HA VAL A 79 16.364 3.907 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 79 17.040 5.696 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 79 19.091 6.274 0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.039 4.547 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.667 5.062 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 79 17.018 7.528 0.152 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.498 6.382 -1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.435 6.725 0.279 1.00 0.00 H new ATOM 841 N GLN A 80 17.147 3.171 2.574 1.00 0.00 N ATOM 842 CA GLN A 80 17.814 2.190 3.424 1.00 0.00 C ATOM 843 C GLN A 80 16.967 0.927 3.574 1.00 0.00 C ATOM 844 O GLN A 80 16.464 0.389 2.586 1.00 0.00 O ATOM 845 CB GLN A 80 18.118 2.800 4.795 1.00 0.00 C ATOM 846 CG GLN A 80 19.058 3.992 4.731 1.00 0.00 C ATOM 847 CD GLN A 80 19.333 4.593 6.096 1.00 0.00 C ATOM 848 OE1 GLN A 80 19.000 5.867 6.259 1.00 0.00 O flip ATOM 849 NE2 GLN A 80 19.840 3.918 6.993 1.00 0.00 N flip ATOM 0 H GLN A 80 16.741 3.958 3.079 1.00 0.00 H new ATOM 0 HA GLN A 80 18.753 1.908 2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 80 17.183 3.109 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 80 18.557 2.035 5.435 1.00 0.00 H new ATOM 0 HG2 GLN A 80 20.000 3.683 4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.627 4.755 4.082 1.00 0.00 H new ATOM 0 HE21 GLN A 80 20.080 2.941 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 80 20.020 4.336 7.906 1.00 0.00 H new ATOM 858 N ASN A 81 16.815 0.451 4.809 1.00 0.00 N ATOM 859 CA ASN A 81 16.032 -0.751 5.072 1.00 0.00 C ATOM 860 C ASN A 81 15.176 -0.587 6.323 1.00 0.00 C ATOM 861 O ASN A 81 15.159 -1.457 7.194 1.00 0.00 O ATOM 862 CB ASN A 81 16.952 -1.965 5.230 1.00 0.00 C ATOM 863 CG ASN A 81 17.809 -2.215 4.004 1.00 0.00 C ATOM 864 OD1 ASN A 81 18.626 -1.378 3.622 1.00 0.00 O ATOM 865 ND2 ASN A 81 17.624 -3.373 3.381 1.00 0.00 N ATOM 0 H ASN A 81 17.223 0.879 5.640 1.00 0.00 H new ATOM 0 HA ASN A 81 15.371 -0.910 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 81 17.598 -1.816 6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 81 16.348 -2.849 5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 81 18.171 -3.598 2.550 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.935 -4.037 3.734 1.00 0.00 H new ATOM 872 N TRP A 82 14.457 0.528 6.400 1.00 0.00 N ATOM 873 CA TRP A 82 13.590 0.794 7.541 1.00 0.00 C ATOM 874 C TRP A 82 12.512 1.811 7.178 1.00 0.00 C ATOM 875 O TRP A 82 11.394 1.743 7.686 1.00 0.00 O ATOM 876 CB TRP A 82 14.403 1.265 8.755 1.00 0.00 C ATOM 877 CG TRP A 82 14.987 2.641 8.625 1.00 0.00 C ATOM 878 CD1 TRP A 82 16.276 2.956 8.309 1.00 0.00 C ATOM 879 CD2 TRP A 82 14.313 3.886 8.851 1.00 0.00 C ATOM 880 NE1 TRP A 82 16.441 4.319 8.304 1.00 0.00 N ATOM 881 CE2 TRP A 82 15.251 4.912 8.635 1.00 0.00 C ATOM 882 CE3 TRP A 82 13.006 4.234 9.207 1.00 0.00 C ATOM 883 CZ2 TRP A 82 14.925 6.260 8.764 1.00 0.00 C ATOM 884 CZ3 TRP A 82 12.683 5.571 9.335 1.00 0.00 C ATOM 885 CH2 TRP A 82 13.639 6.571 9.114 1.00 0.00 C ATOM 0 H TRP A 82 14.458 1.259 5.689 1.00 0.00 H new ATOM 0 HA TRP A 82 13.097 -0.139 7.812 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.762 1.239 9.636 1.00 0.00 H new ATOM 0 HB3 TRP A 82 15.213 0.557 8.929 1.00 0.00 H new ATOM 0 HD1 TRP A 82 17.053 2.238 8.094 1.00 0.00 H new ATOM 0 HE1 TRP A 82 17.309 4.810 8.089 1.00 0.00 H new ATOM 0 HE3 TRP A 82 12.262 3.470 9.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 15.661 7.032 8.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 11.677 5.850 9.610 1.00 0.00 H new ATOM 0 HH2 TRP A 82 13.356 7.608 9.222 1.00 0.00 H new ATOM 896 N HIS A 83 12.845 2.744 6.284 1.00 0.00 N ATOM 897 CA HIS A 83 11.882 3.752 5.854 1.00 0.00 C ATOM 898 C HIS A 83 10.622 3.071 5.332 1.00 0.00 C ATOM 899 O HIS A 83 9.503 3.465 5.661 1.00 0.00 O ATOM 900 CB HIS A 83 12.463 4.639 4.747 1.00 0.00 C ATOM 901 CG HIS A 83 13.778 5.271 5.078 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.954 4.558 5.177 1.00 0.00 N ATOM 903 CD2 HIS A 83 14.104 6.565 5.310 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.946 5.387 5.453 1.00 0.00 C ATOM 905 NE2 HIS A 83 15.456 6.609 5.539 1.00 0.00 N ATOM 0 H HIS A 83 13.765 2.820 5.849 1.00 0.00 H new ATOM 0 HA HIS A 83 11.644 4.377 6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.580 4.040 3.844 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.745 5.426 4.516 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.426 7.406 5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.982 5.111 5.586 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.995 7.450 5.743 1.00 0.00 H new ATOM 914 N LYS A 84 10.825 2.043 4.513 1.00 0.00 N ATOM 915 CA LYS A 84 9.723 1.289 3.930 1.00 0.00 C ATOM 916 C LYS A 84 8.918 0.576 5.010 1.00 0.00 C ATOM 917 O LYS A 84 7.695 0.486 4.925 1.00 0.00 O ATOM 918 CB LYS A 84 10.258 0.270 2.923 1.00 0.00 C ATOM 919 CG LYS A 84 11.115 0.888 1.830 1.00 0.00 C ATOM 920 CD LYS A 84 11.592 -0.159 0.836 1.00 0.00 C ATOM 921 CE LYS A 84 12.442 0.460 -0.261 1.00 0.00 C ATOM 922 NZ LYS A 84 12.910 -0.557 -1.243 1.00 0.00 N ATOM 0 H LYS A 84 11.750 1.712 4.237 1.00 0.00 H new ATOM 0 HA LYS A 84 9.065 1.991 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.845 -0.479 3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.418 -0.250 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.542 1.654 1.307 1.00 0.00 H new ATOM 0 HG3 LYS A 84 11.976 1.384 2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.170 -0.922 1.358 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.731 -0.659 0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.864 1.226 -0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.303 0.957 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.486 -0.094 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.483 -1.274 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.088 -1.014 -1.687 1.00 0.00 H new ATOM 936 N LEU A 85 9.614 0.067 6.021 1.00 0.00 N ATOM 937 CA LEU A 85 8.973 -0.643 7.118 1.00 0.00 C ATOM 938 C LEU A 85 7.876 0.204 7.759 1.00 0.00 C ATOM 939 O LEU A 85 6.807 -0.303 8.098 1.00 0.00 O ATOM 940 CB LEU A 85 10.018 -1.030 8.165 1.00 0.00 C ATOM 941 CG LEU A 85 11.130 -1.954 7.660 1.00 0.00 C ATOM 942 CD1 LEU A 85 12.151 -2.209 8.757 1.00 0.00 C ATOM 943 CD2 LEU A 85 10.545 -3.267 7.160 1.00 0.00 C ATOM 0 H LEU A 85 10.629 0.135 6.102 1.00 0.00 H new ATOM 0 HA LEU A 85 8.510 -1.545 6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.472 -0.120 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.512 -1.517 8.998 1.00 0.00 H new ATOM 0 HG LEU A 85 11.635 -1.463 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.933 -2.867 8.380 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.593 -1.263 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.660 -2.680 9.609 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.349 -3.912 6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 85 10.015 -3.762 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.851 -3.069 6.343 1.00 0.00 H new ATOM 955 N GLU A 86 8.146 1.495 7.917 1.00 0.00 N ATOM 956 CA GLU A 86 7.180 2.411 8.510 1.00 0.00 C ATOM 957 C GLU A 86 6.104 2.779 7.498 1.00 0.00 C ATOM 958 O GLU A 86 4.917 2.817 7.822 1.00 0.00 O ATOM 959 CB GLU A 86 7.878 3.676 9.018 1.00 0.00 C ATOM 960 CG GLU A 86 6.938 4.650 9.705 1.00 0.00 C ATOM 961 CD GLU A 86 7.646 5.882 10.234 1.00 0.00 C ATOM 962 OE1 GLU A 86 8.594 5.726 11.032 1.00 0.00 O ATOM 963 OE2 GLU A 86 7.247 7.002 9.856 1.00 0.00 O ATOM 0 H GLU A 86 9.026 1.931 7.642 1.00 0.00 H new ATOM 0 HA GLU A 86 6.710 1.909 9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.667 3.392 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.359 4.178 8.179 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.163 4.956 9.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.437 4.143 10.530 1.00 0.00 H new ATOM 970 N ASN A 87 6.532 3.041 6.269 1.00 0.00 N ATOM 971 CA ASN A 87 5.624 3.399 5.195 1.00 0.00 C ATOM 972 C ASN A 87 4.565 2.321 4.998 1.00 0.00 C ATOM 973 O ASN A 87 3.396 2.619 4.748 1.00 0.00 O ATOM 974 CB ASN A 87 6.413 3.594 3.902 1.00 0.00 C ATOM 975 CG ASN A 87 7.432 4.718 3.985 1.00 0.00 C ATOM 976 OD1 ASN A 87 7.448 5.433 5.103 1.00 0.00 O flip ATOM 977 ND2 ASN A 87 8.193 4.946 3.045 1.00 0.00 N flip ATOM 0 H ASN A 87 7.514 3.011 5.993 1.00 0.00 H new ATOM 0 HA ASN A 87 5.121 4.329 5.460 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.926 2.665 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.718 3.802 3.088 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.149 4.373 2.202 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.868 5.708 3.109 1.00 0.00 H new ATOM 984 N ILE A 88 4.986 1.064 5.110 1.00 0.00 N ATOM 985 CA ILE A 88 4.079 -0.067 4.942 1.00 0.00 C ATOM 986 C ILE A 88 3.158 -0.223 6.147 1.00 0.00 C ATOM 987 O ILE A 88 1.960 -0.463 5.998 1.00 0.00 O ATOM 988 CB ILE A 88 4.850 -1.385 4.738 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.724 -1.311 3.485 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.881 -2.554 4.642 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.559 -2.554 3.258 1.00 0.00 C ATOM 0 H ILE A 88 5.950 0.803 5.317 1.00 0.00 H new ATOM 0 HA ILE A 88 3.484 0.143 4.053 1.00 0.00 H new ATOM 0 HB ILE A 88 5.500 -1.541 5.599 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.087 -1.147 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.385 -0.448 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.440 -3.479 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.299 -2.621 5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.209 -2.401 3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.154 -2.432 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.222 -2.708 4.110 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.903 -3.418 3.148 1.00 0.00 H new ATOM 1003 N GLY A 89 3.731 -0.103 7.342 1.00 0.00 N ATOM 1004 CA GLY A 89 2.952 -0.251 8.557 1.00 0.00 C ATOM 1005 C GLY A 89 1.766 0.690 8.624 1.00 0.00 C ATOM 1006 O GLY A 89 0.638 0.254 8.839 1.00 0.00 O ATOM 0 H GLY A 89 4.721 0.094 7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.597 -1.279 8.630 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.597 -0.075 9.418 1.00 0.00 H new ATOM 1010 N ASN A 90 2.017 1.980 8.442 1.00 0.00 N ATOM 1011 CA ASN A 90 0.954 2.979 8.491 1.00 0.00 C ATOM 1012 C ASN A 90 -0.120 2.701 7.442 1.00 0.00 C ATOM 1013 O ASN A 90 -1.313 2.848 7.708 1.00 0.00 O ATOM 1014 CB ASN A 90 1.531 4.380 8.286 1.00 0.00 C ATOM 1015 CG ASN A 90 2.542 4.751 9.349 1.00 0.00 C ATOM 1016 OD1 ASN A 90 3.752 5.085 8.921 1.00 0.00 O flip ATOM 1017 ND2 ASN A 90 2.238 4.744 10.542 1.00 0.00 N flip ATOM 0 H ASN A 90 2.946 2.360 8.259 1.00 0.00 H new ATOM 0 HA ASN A 90 0.490 2.922 9.476 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.003 4.435 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.720 5.108 8.291 1.00 0.00 H new ATOM 0 HD21 ASN A 90 1.295 4.480 10.826 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.929 5.002 11.246 1.00 0.00 H new ATOM 1024 N PHE A 91 0.312 2.312 6.248 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.611 2.027 5.152 1.00 0.00 C ATOM 1026 C PHE A 91 -1.532 0.850 5.472 1.00 0.00 C ATOM 1027 O PHE A 91 -2.752 0.957 5.356 1.00 0.00 O ATOM 1028 CB PHE A 91 0.174 1.735 3.871 1.00 0.00 C ATOM 1029 CG PHE A 91 -0.690 1.357 2.700 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -1.779 2.137 2.342 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -0.412 0.220 1.959 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -2.574 1.788 1.266 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.205 -0.134 0.883 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.287 0.651 0.536 1.00 0.00 C ATOM 0 H PHE A 91 1.296 2.186 6.013 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.235 2.909 5.011 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.761 2.615 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.880 0.927 4.065 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.009 3.027 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 91 0.434 -0.397 2.225 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.419 2.404 0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.978 -1.024 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.907 0.376 -0.304 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.940 -0.277 5.857 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.703 -1.479 6.171 1.00 0.00 C ATOM 1046 C LEU A 92 -2.579 -1.304 7.404 1.00 0.00 C ATOM 1047 O LEU A 92 -3.740 -1.701 7.401 1.00 0.00 O ATOM 1048 CB LEU A 92 -0.755 -2.656 6.355 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.077 -3.122 5.069 1.00 0.00 C ATOM 1050 CD1 LEU A 92 1.004 -4.146 5.376 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.105 -3.697 4.107 1.00 0.00 C ATOM 0 H LEU A 92 0.069 -0.382 5.959 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.372 -1.674 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.013 -2.380 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.310 -3.491 6.783 1.00 0.00 H new ATOM 0 HG LEU A 92 0.395 -2.262 4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.476 -4.466 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.754 -3.699 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.558 -5.008 5.873 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.606 -4.025 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.604 -4.546 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.842 -2.932 3.863 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.030 -0.711 8.456 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.792 -0.494 9.679 1.00 0.00 C ATOM 1065 C ARG A 93 -4.015 0.363 9.388 1.00 0.00 C ATOM 1066 O ARG A 93 -5.117 0.082 9.861 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.928 0.187 10.738 1.00 0.00 C ATOM 1068 CG ARG A 93 -0.747 -0.642 11.189 1.00 0.00 C ATOM 1069 CD ARG A 93 0.114 0.134 12.159 1.00 0.00 C ATOM 1070 NE ARG A 93 -0.601 0.462 13.389 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.060 1.137 14.399 1.00 0.00 C ATOM 1072 NH1 ARG A 93 1.198 1.551 14.327 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -0.777 1.396 15.484 1.00 0.00 N ATOM 0 H ARG A 93 -1.068 -0.374 8.488 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.113 -1.464 10.059 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.564 1.135 10.342 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.548 0.420 11.604 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.100 -1.559 11.662 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.153 -0.937 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.002 -0.450 12.401 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.457 1.053 11.684 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.570 0.156 13.479 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.754 1.352 13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.610 2.069 15.104 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.744 1.077 15.544 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.361 1.914 16.258 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.803 1.410 8.604 1.00 0.00 N ATOM 1088 CA ALA A 94 -4.874 2.327 8.236 1.00 0.00 C ATOM 1089 C ALA A 94 -5.956 1.637 7.407 1.00 0.00 C ATOM 1090 O ALA A 94 -7.142 1.802 7.677 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.308 3.516 7.474 1.00 0.00 C ATOM 0 H ALA A 94 -2.893 1.647 8.208 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.339 2.676 9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.118 4.194 7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.588 4.041 8.102 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -3.812 3.165 6.569 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.545 0.877 6.392 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.497 0.183 5.521 1.00 0.00 C ATOM 1099 C ILE A 95 -7.179 -0.982 6.236 1.00 0.00 C ATOM 1100 O ILE A 95 -8.374 -1.218 6.055 1.00 0.00 O ATOM 1101 CB ILE A 95 -5.826 -0.337 4.229 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -4.848 -1.480 4.534 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.116 0.800 3.511 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.240 -2.102 3.295 1.00 0.00 C ATOM 0 H ILE A 95 -4.565 0.726 6.152 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.251 0.923 5.253 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.604 -0.731 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.048 -1.103 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.369 -2.252 5.100 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.648 0.421 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.839 1.573 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.352 1.222 4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.559 -2.902 3.586 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.032 -2.510 2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -3.690 -1.343 2.739 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.412 -1.709 7.040 1.00 0.00 N ATOM 1117 CA LYS A 96 -6.934 -2.855 7.777 1.00 0.00 C ATOM 1118 C LYS A 96 -8.118 -2.443 8.642 1.00 0.00 C ATOM 1119 O LYS A 96 -9.115 -3.160 8.739 1.00 0.00 O ATOM 1120 CB LYS A 96 -5.828 -3.467 8.644 1.00 0.00 C ATOM 1121 CG LYS A 96 -6.225 -4.771 9.320 1.00 0.00 C ATOM 1122 CD LYS A 96 -5.042 -5.421 10.028 1.00 0.00 C ATOM 1123 CE LYS A 96 -5.475 -6.638 10.829 1.00 0.00 C ATOM 1124 NZ LYS A 96 -6.446 -6.283 11.900 1.00 0.00 N ATOM 0 H LYS A 96 -5.422 -1.524 7.199 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.278 -3.602 7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -4.949 -3.644 8.024 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.539 -2.746 9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.020 -4.580 10.040 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.627 -5.459 8.576 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.293 -5.715 9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.570 -4.696 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.925 -7.371 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.599 -7.109 11.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.106 -6.649 12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -6.539 -5.249 11.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.372 -6.703 11.682 1.00 0.00 H new ATOM 1138 N HIS A 97 -7.999 -1.276 9.260 1.00 0.00 N ATOM 1139 CA HIS A 97 -9.046 -0.742 10.111 1.00 0.00 C ATOM 1140 C HIS A 97 -10.030 0.091 9.298 1.00 0.00 C ATOM 1141 O HIS A 97 -11.205 0.202 9.649 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.424 0.103 11.220 1.00 0.00 C ATOM 1143 CG HIS A 97 -7.661 -0.698 12.229 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -8.236 -1.695 12.989 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -6.360 -0.646 12.601 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -7.322 -2.219 13.785 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -6.176 -1.601 13.570 1.00 0.00 N ATOM 0 H HIS A 97 -7.177 -0.677 9.184 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.594 -1.572 10.557 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.756 0.839 10.773 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -9.213 0.656 11.729 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.608 0.022 12.209 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.485 -3.018 14.493 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -5.296 -1.800 14.046 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.535 0.683 8.212 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.361 1.515 7.344 1.00 0.00 C ATOM 1158 C TYR A 98 -11.608 0.767 6.893 1.00 0.00 C ATOM 1159 O TYR A 98 -12.705 1.327 6.872 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.562 1.968 6.118 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.295 2.958 5.240 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -10.806 4.139 5.768 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.475 2.715 3.884 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.475 5.047 4.968 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.144 3.618 3.079 1.00 0.00 C ATOM 1166 CZ TYR A 98 -11.640 4.782 3.625 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.305 5.684 2.827 1.00 0.00 O ATOM 0 H TYR A 98 -8.563 0.600 7.913 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.668 2.390 7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.626 2.417 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.301 1.093 5.523 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.678 4.350 6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.086 1.805 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -11.866 5.959 5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.277 3.412 2.027 1.00 0.00 H new ATOM 0 HH TYR A 98 -12.334 5.348 1.907 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.438 -0.502 6.530 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.572 -1.291 6.084 1.00 0.00 C ATOM 1179 C GLY A 99 -12.191 -2.677 5.601 1.00 0.00 C ATOM 1180 O GLY A 99 -12.883 -3.651 5.900 1.00 0.00 O ATOM 0 H GLY A 99 -10.544 -0.993 6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.285 -1.383 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.079 -0.761 5.278 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.101 -2.771 4.842 1.00 0.00 N ATOM 1185 CA VAL A 100 -10.656 -4.056 4.312 1.00 0.00 C ATOM 1186 C VAL A 100 -10.511 -5.089 5.427 1.00 0.00 C ATOM 1187 O VAL A 100 -9.900 -4.820 6.461 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.315 -3.933 3.557 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -8.965 -5.254 2.889 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.383 -2.822 2.524 1.00 0.00 C ATOM 0 H VAL A 100 -10.514 -1.978 4.582 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.422 -4.386 3.610 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.535 -3.686 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.017 -5.154 2.360 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.877 -6.033 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.749 -5.523 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.428 -2.751 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.173 -3.041 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.596 -1.876 3.021 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.085 -6.268 5.207 1.00 0.00 N ATOM 1201 CA LYS A 101 -11.033 -7.346 6.190 1.00 0.00 C ATOM 1202 C LYS A 101 -9.593 -7.772 6.468 1.00 0.00 C ATOM 1203 O LYS A 101 -8.786 -7.897 5.548 1.00 0.00 O ATOM 1204 CB LYS A 101 -11.844 -8.547 5.700 1.00 0.00 C ATOM 1205 CG LYS A 101 -13.312 -8.231 5.456 1.00 0.00 C ATOM 1206 CD LYS A 101 -14.076 -9.453 4.967 1.00 0.00 C ATOM 1207 CE LYS A 101 -13.549 -9.947 3.629 1.00 0.00 C ATOM 1208 NZ LYS A 101 -13.663 -8.909 2.568 1.00 0.00 N ATOM 0 H LYS A 101 -11.593 -6.502 4.354 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.465 -6.973 7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -11.403 -8.920 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -11.771 -9.349 6.435 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -13.764 -7.864 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -13.395 -7.431 4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.998 -10.251 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.134 -9.207 4.873 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.505 -10.242 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -14.102 -10.836 3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.504 -9.345 1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.613 -8.488 2.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.951 -8.168 2.729 1.00 0.00 H new ATOM 1222 N PRO A 102 -9.252 -8.001 7.751 1.00 0.00 N ATOM 1223 CA PRO A 102 -7.902 -8.415 8.150 1.00 0.00 C ATOM 1224 C PRO A 102 -7.451 -9.684 7.437 1.00 0.00 C ATOM 1225 O PRO A 102 -6.307 -9.783 6.992 1.00 0.00 O ATOM 1226 CB PRO A 102 -8.029 -8.666 9.654 1.00 0.00 C ATOM 1227 CG PRO A 102 -9.215 -7.870 10.078 1.00 0.00 C ATOM 1228 CD PRO A 102 -10.153 -7.871 8.911 1.00 0.00 C ATOM 0 HA PRO A 102 -7.157 -7.662 7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.168 -9.726 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.131 -8.349 10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.686 -8.310 10.957 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.927 -6.853 10.346 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -10.861 -8.698 8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.738 -6.953 8.865 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.355 -10.655 7.330 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.046 -11.919 6.668 1.00 0.00 C ATOM 1238 C HIS A 103 -7.983 -11.746 5.151 1.00 0.00 C ATOM 1239 O HIS A 103 -8.139 -12.709 4.400 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.090 -12.978 7.029 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.152 -13.293 8.493 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -10.032 -14.214 9.026 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -8.439 -12.809 9.540 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.858 -14.281 10.334 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -8.898 -13.439 10.670 1.00 0.00 N ATOM 0 H HIS A 103 -9.306 -10.590 7.693 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.067 -12.248 7.016 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.071 -12.635 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -8.871 -13.893 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -7.656 -12.066 9.494 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.407 -14.916 11.013 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.553 -13.282 11.617 1.00 0.00 H new ATOM 1254 N ASP A 104 -7.748 -10.514 4.710 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.657 -10.202 3.295 1.00 0.00 C ATOM 1256 C ASP A 104 -6.700 -9.036 3.078 1.00 0.00 C ATOM 1257 O ASP A 104 -6.950 -8.159 2.250 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.035 -9.840 2.739 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.000 -11.010 2.732 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.376 -11.479 3.827 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.381 -11.457 1.631 1.00 0.00 O ATOM 0 H ASP A 104 -7.616 -9.710 5.323 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.282 -11.081 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.459 -9.031 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.922 -9.463 1.722 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.606 -9.029 3.836 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.613 -7.967 3.740 1.00 0.00 C ATOM 1268 C ILE A 105 -3.216 -8.485 4.049 1.00 0.00 C ATOM 1269 O ILE A 105 -3.007 -9.186 5.039 1.00 0.00 O ATOM 1270 CB ILE A 105 -4.923 -6.818 4.720 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.324 -6.265 4.472 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -3.883 -5.715 4.589 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -6.743 -5.210 5.471 1.00 0.00 C ATOM 0 H ILE A 105 -5.386 -9.749 4.524 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.653 -7.600 2.715 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.885 -7.211 5.736 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.366 -5.841 3.469 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.040 -7.086 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.115 -4.911 5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.895 -6.117 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.892 -5.325 3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.748 -4.863 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.734 -5.635 6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.049 -4.371 5.426 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.259 -8.121 3.205 1.00 0.00 N ATOM 1286 CA PHE A 106 -0.878 -8.535 3.401 1.00 0.00 C ATOM 1287 C PHE A 106 -0.247 -7.736 4.528 1.00 0.00 C ATOM 1288 O PHE A 106 -0.525 -6.549 4.689 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.075 -8.357 2.113 1.00 0.00 C ATOM 1290 CG PHE A 106 0.001 -6.935 1.629 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.952 -6.063 2.136 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -0.883 -6.469 0.668 1.00 0.00 C ATOM 1293 CE1 PHE A 106 1.020 -4.755 1.694 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.820 -5.162 0.223 1.00 0.00 C ATOM 1295 CZ PHE A 106 0.134 -4.304 0.735 1.00 0.00 C ATOM 0 H PHE A 106 -2.414 -7.541 2.380 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.869 -9.591 3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.937 -8.729 2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.521 -8.972 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.648 -6.410 2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.630 -7.135 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.765 -4.086 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.516 -4.812 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.187 -3.283 0.386 1.00 0.00 H new ATOM 1305 N GLU A 107 0.600 -8.387 5.306 1.00 0.00 N ATOM 1306 CA GLU A 107 1.268 -7.719 6.417 1.00 0.00 C ATOM 1307 C GLU A 107 2.556 -7.063 5.954 1.00 0.00 C ATOM 1308 O GLU A 107 3.020 -7.298 4.838 1.00 0.00 O ATOM 1309 CB GLU A 107 1.556 -8.694 7.556 1.00 0.00 C ATOM 1310 CG GLU A 107 0.307 -9.274 8.176 1.00 0.00 C ATOM 1311 CD GLU A 107 0.603 -10.215 9.326 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.295 -11.230 9.099 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.145 -9.937 10.454 1.00 0.00 O ATOM 0 H GLU A 107 0.843 -9.371 5.193 1.00 0.00 H new ATOM 0 HA GLU A 107 0.595 -6.947 6.790 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.178 -9.507 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.132 -8.182 8.327 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.327 -8.462 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.258 -9.808 7.412 1.00 0.00 H new ATOM 1320 N ALA A 108 3.127 -6.239 6.820 1.00 0.00 N ATOM 1321 CA ALA A 108 4.363 -5.540 6.511 1.00 0.00 C ATOM 1322 C ALA A 108 5.440 -6.503 6.026 1.00 0.00 C ATOM 1323 O ALA A 108 6.374 -6.097 5.339 1.00 0.00 O ATOM 1324 CB ALA A 108 4.851 -4.772 7.731 1.00 0.00 C ATOM 0 H ALA A 108 2.751 -6.038 7.747 1.00 0.00 H new ATOM 0 HA ALA A 108 4.158 -4.835 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 108 5.778 -4.252 7.487 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.095 -4.045 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.030 -5.467 8.551 1.00 0.00 H new ATOM 1330 N ASN A 109 5.314 -7.777 6.392 1.00 0.00 N ATOM 1331 CA ASN A 109 6.297 -8.775 5.991 1.00 0.00 C ATOM 1332 C ASN A 109 5.933 -9.439 4.665 1.00 0.00 C ATOM 1333 O ASN A 109 6.810 -9.727 3.853 1.00 0.00 O ATOM 1334 CB ASN A 109 6.459 -9.825 7.088 1.00 0.00 C ATOM 1335 CG ASN A 109 5.151 -10.470 7.488 1.00 0.00 C ATOM 1336 OD1 ASN A 109 4.495 -11.125 6.680 1.00 0.00 O ATOM 1337 ND2 ASN A 109 4.766 -10.292 8.744 1.00 0.00 N ATOM 0 H ASN A 109 4.548 -8.138 6.960 1.00 0.00 H new ATOM 0 HA ASN A 109 7.246 -8.260 5.844 1.00 0.00 H new ATOM 0 HB2 ASN A 109 7.148 -10.597 6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.911 -9.360 7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 109 3.894 -10.706 9.074 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.342 -9.741 9.381 1.00 0.00 H new ATOM 1344 N ASP A 110 4.645 -9.689 4.446 1.00 0.00 N ATOM 1345 CA ASP A 110 4.201 -10.326 3.209 1.00 0.00 C ATOM 1346 C ASP A 110 4.683 -9.539 1.994 1.00 0.00 C ATOM 1347 O ASP A 110 5.109 -10.119 0.997 1.00 0.00 O ATOM 1348 CB ASP A 110 2.676 -10.450 3.175 1.00 0.00 C ATOM 1349 CG ASP A 110 2.123 -11.210 4.365 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.303 -10.738 5.506 1.00 0.00 O ATOM 1351 OD2 ASP A 110 1.507 -12.276 4.156 1.00 0.00 O ATOM 0 H ASP A 110 3.897 -9.463 5.101 1.00 0.00 H new ATOM 0 HA ASP A 110 4.633 -11.326 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.235 -9.453 3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.377 -10.955 2.256 1.00 0.00 H new ATOM 1356 N LEU A 111 4.608 -8.213 2.084 1.00 0.00 N ATOM 1357 CA LEU A 111 5.038 -7.346 0.992 1.00 0.00 C ATOM 1358 C LEU A 111 6.549 -7.125 1.016 1.00 0.00 C ATOM 1359 O LEU A 111 7.223 -7.274 -0.004 1.00 0.00 O ATOM 1360 CB LEU A 111 4.316 -5.997 1.068 1.00 0.00 C ATOM 1361 CG LEU A 111 4.765 -4.957 0.036 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.551 -5.474 -1.380 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.023 -3.646 0.242 1.00 0.00 C ATOM 0 H LEU A 111 4.254 -7.717 2.902 1.00 0.00 H new ATOM 0 HA LEU A 111 4.781 -7.842 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.246 -6.168 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.460 -5.581 2.065 1.00 0.00 H new ATOM 0 HG LEU A 111 5.831 -4.777 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.877 -4.719 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.130 -6.386 -1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.493 -5.687 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.355 -2.920 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.952 -3.813 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.230 -3.264 1.242 1.00 0.00 H new ATOM 1375 N PHE A 112 7.073 -6.756 2.182 1.00 0.00 N ATOM 1376 CA PHE A 112 8.504 -6.500 2.331 1.00 0.00 C ATOM 1377 C PHE A 112 9.324 -7.768 2.118 1.00 0.00 C ATOM 1378 O PHE A 112 10.137 -7.844 1.197 1.00 0.00 O ATOM 1379 CB PHE A 112 8.799 -5.931 3.721 1.00 0.00 C ATOM 1380 CG PHE A 112 10.235 -5.531 3.918 1.00 0.00 C ATOM 1381 CD1 PHE A 112 10.869 -4.694 3.013 1.00 0.00 C ATOM 1382 CD2 PHE A 112 10.951 -5.993 5.012 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.188 -4.325 3.194 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.271 -5.628 5.197 1.00 0.00 C ATOM 1385 CZ PHE A 112 12.889 -4.794 4.288 1.00 0.00 C ATOM 0 H PHE A 112 6.530 -6.628 3.036 1.00 0.00 H new ATOM 0 HA PHE A 112 8.788 -5.774 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.163 -5.063 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.532 -6.674 4.472 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.325 -4.326 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.472 -6.645 5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 112 12.670 -3.671 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 112 12.818 -5.995 6.052 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.920 -4.508 4.432 1.00 0.00 H new ATOM 1395 N GLU A 113 9.107 -8.762 2.976 1.00 0.00 N ATOM 1396 CA GLU A 113 9.828 -10.024 2.878 1.00 0.00 C ATOM 1397 C GLU A 113 9.332 -10.833 1.688 1.00 0.00 C ATOM 1398 O GLU A 113 9.903 -11.870 1.349 1.00 0.00 O ATOM 1399 CB GLU A 113 9.665 -10.832 4.166 1.00 0.00 C ATOM 1400 CG GLU A 113 10.191 -10.124 5.398 1.00 0.00 C ATOM 1401 CD GLU A 113 10.019 -10.944 6.664 1.00 0.00 C ATOM 1402 OE1 GLU A 113 9.485 -12.069 6.575 1.00 0.00 O ATOM 1403 OE2 GLU A 113 10.419 -10.459 7.743 1.00 0.00 O ATOM 0 H GLU A 113 8.438 -8.716 3.745 1.00 0.00 H new ATOM 0 HA GLU A 113 10.885 -9.803 2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.609 -11.059 4.311 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.184 -11.784 4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 113 11.248 -9.897 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.673 -9.172 5.514 1.00 0.00 H new ATOM 1410 N ASN A 114 8.260 -10.353 1.066 1.00 0.00 N ATOM 1411 CA ASN A 114 7.673 -11.032 -0.080 1.00 0.00 C ATOM 1412 C ASN A 114 7.250 -12.444 0.307 1.00 0.00 C ATOM 1413 O ASN A 114 7.385 -13.383 -0.476 1.00 0.00 O ATOM 1414 CB ASN A 114 8.667 -11.076 -1.243 1.00 0.00 C ATOM 1415 CG ASN A 114 9.085 -9.692 -1.699 1.00 0.00 C ATOM 1416 OD1 ASN A 114 8.254 -8.884 -2.114 1.00 0.00 O ATOM 1417 ND2 ASN A 114 10.381 -9.411 -1.623 1.00 0.00 N ATOM 0 H ASN A 114 7.781 -9.495 1.338 1.00 0.00 H new ATOM 0 HA ASN A 114 6.792 -10.476 -0.400 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.551 -11.638 -0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.219 -11.611 -2.080 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.722 -8.495 -1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.035 -10.111 -1.273 1.00 0.00 H new ATOM 1424 N THR A 115 6.750 -12.586 1.530 1.00 0.00 N ATOM 1425 CA THR A 115 6.318 -13.886 2.026 1.00 0.00 C ATOM 1426 C THR A 115 4.868 -14.187 1.656 1.00 0.00 C ATOM 1427 O THR A 115 4.259 -15.096 2.221 1.00 0.00 O ATOM 1428 CB THR A 115 6.470 -13.979 3.556 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.693 -12.955 4.189 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.929 -13.841 3.965 1.00 0.00 C ATOM 0 H THR A 115 6.634 -11.820 2.193 1.00 0.00 H new ATOM 0 HA THR A 115 6.963 -14.624 1.549 1.00 0.00 H new ATOM 0 HB THR A 115 6.111 -14.957 3.875 1.00 0.00 H new ATOM 0 HG1 THR A 115 5.664 -13.117 5.155 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.011 -13.910 5.050 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.513 -14.639 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 115 8.310 -12.875 3.633 1.00 0.00 H new ATOM 1438 N ASN A 116 4.317 -13.432 0.704 1.00 0.00 N ATOM 1439 CA ASN A 116 2.934 -13.645 0.276 1.00 0.00 C ATOM 1440 C ASN A 116 2.534 -12.660 -0.823 1.00 0.00 C ATOM 1441 O ASN A 116 1.703 -11.777 -0.604 1.00 0.00 O ATOM 1442 CB ASN A 116 1.982 -13.506 1.467 1.00 0.00 C ATOM 1443 CG ASN A 116 0.620 -14.110 1.186 1.00 0.00 C ATOM 1444 OD1 ASN A 116 -0.024 -13.782 0.191 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.174 -14.999 2.065 1.00 0.00 N ATOM 0 H ASN A 116 4.801 -12.676 0.220 1.00 0.00 H new ATOM 0 HA ASN A 116 2.863 -14.655 -0.127 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.420 -13.992 2.339 1.00 0.00 H new ATOM 0 HB3 ASN A 116 1.865 -12.451 1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -0.736 -15.439 1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 116 0.741 -15.242 2.877 1.00 0.00 H new ATOM 1452 N HIS A 117 3.131 -12.810 -2.003 1.00 0.00 N ATOM 1453 CA HIS A 117 2.834 -11.927 -3.131 1.00 0.00 C ATOM 1454 C HIS A 117 1.353 -11.977 -3.504 1.00 0.00 C ATOM 1455 O HIS A 117 0.742 -10.949 -3.795 1.00 0.00 O ATOM 1456 CB HIS A 117 3.668 -12.308 -4.356 1.00 0.00 C ATOM 1457 CG HIS A 117 5.136 -12.413 -4.094 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.700 -13.440 -3.368 1.00 0.00 N ATOM 1459 CD2 HIS A 117 6.162 -11.617 -4.476 1.00 0.00 C ATOM 1460 CE1 HIS A 117 7.010 -13.272 -3.317 1.00 0.00 C ATOM 1461 NE2 HIS A 117 7.315 -12.174 -3.981 1.00 0.00 N ATOM 0 H HIS A 117 3.822 -13.533 -2.204 1.00 0.00 H new ATOM 0 HA HIS A 117 3.087 -10.914 -2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 117 3.311 -13.263 -4.741 1.00 0.00 H new ATOM 0 HB3 HIS A 117 3.503 -11.567 -5.138 1.00 0.00 H new ATOM 0 HD2 HIS A 117 6.087 -10.712 -5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.711 -13.923 -2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 117 8.255 -11.799 -4.106 1.00 0.00 H new ATOM 1470 N THR A 118 0.794 -13.184 -3.516 1.00 0.00 N ATOM 1471 CA THR A 118 -0.608 -13.386 -3.878 1.00 0.00 C ATOM 1472 C THR A 118 -1.537 -12.426 -3.138 1.00 0.00 C ATOM 1473 O THR A 118 -2.416 -11.812 -3.744 1.00 0.00 O ATOM 1474 CB THR A 118 -1.054 -14.832 -3.590 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.231 -15.753 -4.319 1.00 0.00 O ATOM 1476 CG2 THR A 118 -2.512 -15.039 -3.975 1.00 0.00 C ATOM 0 H THR A 118 1.292 -14.042 -3.278 1.00 0.00 H new ATOM 0 HA THR A 118 -0.679 -13.186 -4.947 1.00 0.00 H new ATOM 0 HB THR A 118 -0.947 -15.013 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.519 -16.670 -4.129 1.00 0.00 H new ATOM 0 HG21 THR A 118 -2.802 -16.068 -3.762 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.140 -14.358 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 118 -2.639 -14.839 -5.039 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.346 -12.305 -1.829 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.177 -11.426 -1.017 1.00 0.00 C ATOM 1486 C GLN A 119 -2.044 -9.972 -1.453 1.00 0.00 C ATOM 1487 O GLN A 119 -3.025 -9.233 -1.472 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.809 -11.562 0.459 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.591 -10.635 1.373 1.00 0.00 C ATOM 1490 CD GLN A 119 -4.090 -10.859 1.300 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.689 -11.208 2.432 1.00 0.00 O flip ATOM 1492 NE2 GLN A 119 -4.703 -10.717 0.242 1.00 0.00 N flip ATOM 0 H GLN A 119 -0.624 -12.804 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.215 -11.728 -1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.977 -12.592 0.772 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.744 -11.362 0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.257 -10.779 2.400 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.370 -9.601 1.108 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.203 -10.448 -0.605 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.711 -10.869 0.212 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.827 -9.564 -1.792 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.571 -8.192 -2.216 1.00 0.00 C ATOM 1503 C VAL A 120 -1.470 -7.791 -3.383 1.00 0.00 C ATOM 1504 O VAL A 120 -2.035 -6.697 -3.395 1.00 0.00 O ATOM 1505 CB VAL A 120 0.903 -7.998 -2.622 1.00 0.00 C ATOM 1506 CG1 VAL A 120 1.144 -6.576 -3.109 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.825 -8.332 -1.460 1.00 0.00 C ATOM 0 H VAL A 120 -0.002 -10.163 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.794 -7.552 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 120 1.125 -8.680 -3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 120 2.191 -6.460 -3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.511 -6.375 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.903 -5.873 -2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.862 -8.189 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.601 -7.677 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.674 -9.370 -1.162 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.592 -8.678 -4.363 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.406 -8.428 -5.533 1.00 0.00 C ATOM 1519 C GLN A 121 -3.892 -8.345 -5.181 1.00 0.00 C ATOM 1520 O GLN A 121 -4.594 -7.435 -5.625 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.165 -9.544 -6.543 1.00 0.00 C ATOM 1522 CG GLN A 121 -2.991 -9.403 -7.795 1.00 0.00 C ATOM 1523 CD GLN A 121 -2.725 -10.505 -8.801 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -3.755 -11.282 -9.114 1.00 0.00 O flip ATOM 1525 NE2 GLN A 121 -1.605 -10.657 -9.290 1.00 0.00 N flip ATOM 0 H GLN A 121 -1.129 -9.587 -4.364 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.122 -7.466 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -1.109 -9.559 -6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -2.388 -10.503 -6.075 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -4.048 -9.407 -7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -2.782 -8.438 -8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -0.842 -10.036 -9.020 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -1.440 -11.404 -9.965 1.00 0.00 H new ATOM 1534 N SER A 122 -4.364 -9.306 -4.395 1.00 0.00 N ATOM 1535 CA SER A 122 -5.768 -9.356 -3.992 1.00 0.00 C ATOM 1536 C SER A 122 -6.150 -8.177 -3.098 1.00 0.00 C ATOM 1537 O SER A 122 -7.269 -7.670 -3.172 1.00 0.00 O ATOM 1538 CB SER A 122 -6.061 -10.670 -3.266 1.00 0.00 C ATOM 1539 OG SER A 122 -7.418 -10.742 -2.866 1.00 0.00 O ATOM 0 H SER A 122 -3.794 -10.065 -4.022 1.00 0.00 H new ATOM 0 HA SER A 122 -6.369 -9.294 -4.899 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.827 -11.510 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.416 -10.757 -2.392 1.00 0.00 H new ATOM 0 HG SER A 122 -7.579 -11.592 -2.406 1.00 0.00 H new ATOM 1545 N THR A 123 -5.221 -7.759 -2.243 1.00 0.00 N ATOM 1546 CA THR A 123 -5.466 -6.653 -1.320 1.00 0.00 C ATOM 1547 C THR A 123 -5.992 -5.415 -2.042 1.00 0.00 C ATOM 1548 O THR A 123 -6.943 -4.782 -1.583 1.00 0.00 O ATOM 1549 CB THR A 123 -4.190 -6.281 -0.541 1.00 0.00 C ATOM 1550 OG1 THR A 123 -3.744 -7.400 0.235 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.439 -5.092 0.376 1.00 0.00 C ATOM 0 H THR A 123 -4.290 -8.170 -2.169 1.00 0.00 H new ATOM 0 HA THR A 123 -6.227 -6.998 -0.620 1.00 0.00 H new ATOM 0 HB THR A 123 -3.420 -6.008 -1.263 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.330 -8.064 -0.356 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.523 -4.850 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 123 -4.749 -4.233 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.224 -5.341 1.090 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.374 -5.071 -3.168 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.796 -3.903 -3.938 1.00 0.00 C ATOM 1561 C LEU A 124 -7.256 -4.026 -4.358 1.00 0.00 C ATOM 1562 O LEU A 124 -8.022 -3.067 -4.264 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.913 -3.722 -5.176 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.438 -3.431 -4.893 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.668 -3.271 -6.195 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.291 -2.186 -4.030 1.00 0.00 C ATOM 0 H LEU A 124 -4.585 -5.580 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.690 -3.027 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.978 -4.625 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.318 -2.906 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.021 -4.277 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.621 -3.064 -5.975 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.742 -4.190 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.089 -2.444 -6.767 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.234 -1.997 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.725 -1.331 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.808 -2.337 -3.082 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.637 -5.212 -4.822 1.00 0.00 N ATOM 1579 CA ILE A 125 -9.007 -5.458 -5.258 1.00 0.00 C ATOM 1580 C ILE A 125 -9.998 -5.186 -4.130 1.00 0.00 C ATOM 1581 O ILE A 125 -11.049 -4.581 -4.346 1.00 0.00 O ATOM 1582 CB ILE A 125 -9.186 -6.908 -5.752 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -8.186 -7.213 -6.872 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.613 -7.130 -6.234 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -8.256 -8.638 -7.380 1.00 0.00 C ATOM 0 H ILE A 125 -7.017 -6.017 -4.906 1.00 0.00 H new ATOM 0 HA ILE A 125 -9.207 -4.775 -6.084 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.994 -7.588 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.366 -6.531 -7.703 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.177 -7.015 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.725 -8.158 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.307 -6.946 -5.414 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.831 -6.446 -7.054 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.519 -8.779 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.046 -9.327 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.253 -8.835 -7.773 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.656 -5.636 -2.926 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.514 -5.441 -1.762 1.00 0.00 C ATOM 1599 C ALA A 126 -10.656 -3.961 -1.420 1.00 0.00 C ATOM 1600 O ALA A 126 -11.759 -3.476 -1.165 1.00 0.00 O ATOM 1601 CB ALA A 126 -9.965 -6.210 -0.570 1.00 0.00 C ATOM 0 H ALA A 126 -8.790 -6.139 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.505 -5.824 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -10.614 -6.056 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -9.925 -7.273 -0.810 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.962 -5.853 -0.337 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.533 -3.247 -1.414 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.531 -1.821 -1.101 1.00 0.00 C ATOM 1609 C LEU A 127 -10.366 -1.039 -2.109 1.00 0.00 C ATOM 1610 O LEU A 127 -11.071 -0.095 -1.749 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.099 -1.282 -1.084 1.00 0.00 C ATOM 1612 CG LEU A 127 -7.968 0.198 -0.709 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -8.590 0.463 0.655 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -6.508 0.624 -0.724 1.00 0.00 C ATOM 0 H LEU A 127 -8.612 -3.633 -1.623 1.00 0.00 H new ATOM 0 HA LEU A 127 -9.973 -1.693 -0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -7.513 -1.873 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.659 -1.432 -2.070 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.506 0.789 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -8.487 1.519 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -9.647 0.198 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.082 -0.138 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.434 1.678 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.947 0.026 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.095 0.474 -1.722 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.280 -1.439 -3.372 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.022 -0.784 -4.442 1.00 0.00 C ATOM 1628 C ALA A 128 -12.514 -0.795 -4.146 1.00 0.00 C ATOM 1629 O ALA A 128 -13.224 0.168 -4.433 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.740 -1.462 -5.774 1.00 0.00 C ATOM 0 H ALA A 128 -9.700 -2.219 -3.681 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.693 0.253 -4.503 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.301 -0.962 -6.563 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.674 -1.403 -5.994 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.042 -2.508 -5.721 1.00 0.00 H new ATOM 1636 N SER A 129 -12.982 -1.895 -3.565 1.00 0.00 N ATOM 1637 CA SER A 129 -14.389 -2.041 -3.219 1.00 0.00 C ATOM 1638 C SER A 129 -14.855 -0.874 -2.357 1.00 0.00 C ATOM 1639 O SER A 129 -15.990 -0.414 -2.481 1.00 0.00 O ATOM 1640 CB SER A 129 -14.622 -3.362 -2.484 1.00 0.00 C ATOM 1641 OG SER A 129 -14.246 -4.467 -3.286 1.00 0.00 O ATOM 0 H SER A 129 -12.404 -2.700 -3.324 1.00 0.00 H new ATOM 0 HA SER A 129 -14.969 -2.044 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.050 -3.371 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.674 -3.449 -2.211 1.00 0.00 H new ATOM 0 HG SER A 129 -14.403 -5.299 -2.792 1.00 0.00 H new ATOM 1647 N GLN A 130 -13.973 -0.398 -1.481 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.296 0.710 -0.604 1.00 0.00 C ATOM 1649 C GLN A 130 -14.503 1.998 -1.391 1.00 0.00 C ATOM 1650 O GLN A 130 -15.470 2.723 -1.166 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.190 0.902 0.420 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.055 -0.245 1.406 1.00 0.00 C ATOM 1653 CD GLN A 130 -12.286 0.149 2.650 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -11.093 -0.404 2.809 1.00 0.00 O flip ATOM 1655 NE2 GLN A 130 -12.759 0.951 3.455 1.00 0.00 N flip ATOM 0 H GLN A 130 -13.029 -0.767 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.228 0.473 -0.092 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.243 1.031 -0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -13.377 1.823 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -14.048 -0.594 1.691 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -12.551 -1.080 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -13.682 1.352 3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.228 1.214 4.285 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.583 2.282 -2.310 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.662 3.490 -3.125 1.00 0.00 C ATOM 1666 C ALA A 131 -14.736 3.373 -4.205 1.00 0.00 C ATOM 1667 O ALA A 131 -14.562 3.863 -5.321 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.308 3.785 -3.754 1.00 0.00 C ATOM 0 H ALA A 131 -12.775 1.692 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.942 4.316 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.377 4.688 -4.360 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.566 3.931 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.009 2.947 -4.384 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.851 2.730 -3.866 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.950 2.562 -4.808 1.00 0.00 C ATOM 1676 C LYS A 132 -17.745 3.857 -4.954 1.00 0.00 C ATOM 1677 O LYS A 132 -18.040 4.291 -6.066 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.870 1.423 -4.356 1.00 0.00 C ATOM 1679 CG LYS A 132 -18.441 1.613 -2.959 1.00 0.00 C ATOM 1680 CD LYS A 132 -19.339 0.452 -2.564 1.00 0.00 C ATOM 1681 CE LYS A 132 -19.904 0.637 -1.165 1.00 0.00 C ATOM 1682 NZ LYS A 132 -20.784 -0.497 -0.768 1.00 0.00 N ATOM 0 H LYS A 132 -16.015 2.318 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.528 2.309 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -18.693 1.330 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.315 0.486 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -17.626 1.705 -2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -19.008 2.543 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -20.157 0.363 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -18.774 -0.479 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -19.085 0.728 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -20.469 1.568 -1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -21.149 -0.333 0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -21.580 -0.569 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.238 -1.382 -0.784 1.00 0.00 H new ATOM 1696 N THR A 133 -18.083 4.471 -3.820 1.00 0.00 N ATOM 1697 CA THR A 133 -18.842 5.719 -3.818 1.00 0.00 C ATOM 1698 C THR A 133 -18.764 6.396 -2.448 1.00 0.00 C ATOM 1699 O THR A 133 -19.771 6.856 -1.908 1.00 0.00 O ATOM 1700 CB THR A 133 -20.324 5.479 -4.181 1.00 0.00 C ATOM 1701 OG1 THR A 133 -20.421 4.685 -5.369 1.00 0.00 O ATOM 1702 CG2 THR A 133 -21.051 6.800 -4.405 1.00 0.00 C ATOM 0 H THR A 133 -17.843 4.123 -2.892 1.00 0.00 H new ATOM 0 HA THR A 133 -18.397 6.368 -4.572 1.00 0.00 H new ATOM 0 HB THR A 133 -20.790 4.953 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 133 -19.611 4.803 -5.908 1.00 0.00 H new ATOM 0 HG21 THR A 133 -22.093 6.604 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 133 -21.006 7.399 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 133 -20.575 7.344 -5.221 1.00 0.00 H new ATOM 1710 N LYS A 134 -17.558 6.454 -1.888 1.00 0.00 N ATOM 1711 CA LYS A 134 -17.353 7.078 -0.584 1.00 0.00 C ATOM 1712 C LYS A 134 -17.643 8.574 -0.644 1.00 0.00 C ATOM 1713 O LYS A 134 -16.914 9.289 -1.364 1.00 0.00 O ATOM 1714 CB LYS A 134 -15.922 6.843 -0.096 1.00 0.00 C ATOM 1715 CG LYS A 134 -15.611 5.385 0.210 1.00 0.00 C ATOM 1716 CD LYS A 134 -16.458 4.863 1.360 1.00 0.00 C ATOM 1717 CE LYS A 134 -16.152 3.404 1.665 1.00 0.00 C ATOM 1718 NZ LYS A 134 -16.968 2.890 2.798 1.00 0.00 N ATOM 1719 OXT LYS A 134 -18.597 9.018 0.028 1.00 0.00 O ATOM 0 H LYS A 134 -16.711 6.078 -2.315 1.00 0.00 H new ATOM 0 HA LYS A 134 -18.047 6.619 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -15.226 7.202 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -15.751 7.438 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -15.790 4.780 -0.679 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -14.555 5.282 0.459 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -16.277 5.467 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -17.514 4.970 1.112 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -16.342 2.800 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 134 -15.094 3.297 1.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 -16.729 1.893 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -16.768 3.449 3.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -17.978 2.968 2.562 1.00 0.00 H new TER 1733 LYS A 134