USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1046 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: B 31 GLN : amide:sc= -0.139 X(o=-0.094,f=-0.31) USER MOD Set 1.2: B 47 SER OG : rot 77:sc= 0.0455 USER MOD Set 2.1: A 29 ASN : amide:sc= 0 X(o=0,f=0.0039) USER MOD Set 2.2: A 31 GLN : amide:sc= 0 X(o=0,f=0.0039) USER MOD Set 2.3: A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.527 K(o=-0.53,f=-4.4!) USER MOD Single : A 18 THR OG1 : rot -134:sc= -2.45! USER MOD Single : A 19 THR OG1 : rot 93:sc= 0.296 USER MOD Single : A 20 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.9!) USER MOD Single : A 23 HIS : no HD1:sc= -3.64! C(o=-3.6!,f=-14!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 148:sc= -0.101 (180deg=-0.459) USER MOD Single : A 28 SER OG : rot -130:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Single : A 40 SER OG : rot -35:sc= 0.277 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 165:sc= -0.0609 (180deg=-0.263) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.00609 (180deg=-0.151) USER MOD Single : A 68 GLN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 GLN : amide:sc= -0.467 K(o=-0.47,f=-4.3!) USER MOD Single : B 18 THR OG1 : rot -132:sc= -2.43! USER MOD Single : B 19 THR OG1 : rot 92:sc= 0.287 USER MOD Single : B 20 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : B 23 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-14!) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 MET CE :methyl -143:sc=-0.00507 (180deg=-0.473) USER MOD Single : B 28 SER OG : rot -160:sc= 0 USER MOD Single : B 29 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 38 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 41 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0489) USER MOD Single : B 49 LYS NZ :NH3+ 166:sc= -0.0641 (180deg=-0.323) USER MOD Single : B 50 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 169:sc=-0.00935 (180deg=-0.159) USER MOD Single : B 68 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -7.015 -19.129 15.033 1.00 0.81 N ATOM 2 CA LEU A 8 -7.602 -19.586 13.754 1.00 0.78 C ATOM 3 C LEU A 8 -9.059 -20.050 13.975 1.00 0.78 C ATOM 4 O LEU A 8 -9.351 -21.207 14.269 1.00 0.80 O ATOM 5 CB LEU A 8 -6.718 -20.698 13.159 1.00 0.80 C ATOM 6 CG LEU A 8 -7.100 -21.173 11.743 1.00 0.78 C ATOM 7 CD1 LEU A 8 -5.874 -21.795 11.082 1.00 0.80 C ATOM 8 CD2 LEU A 8 -8.189 -22.252 11.734 1.00 0.78 C ATOM 0 HA LEU A 8 -7.634 -18.764 13.039 1.00 0.78 H new ATOM 0 HB2 LEU A 8 -5.687 -20.344 13.137 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -6.746 -21.557 13.830 1.00 0.80 H new ATOM 0 HG LEU A 8 -7.473 -20.294 11.218 1.00 0.78 H new ATOM 0 HD11 LEU A 8 -6.134 -22.134 10.079 1.00 0.80 H new ATOM 0 HD12 LEU A 8 -5.079 -21.052 11.019 1.00 0.80 H new ATOM 0 HD13 LEU A 8 -5.532 -22.643 11.675 1.00 0.80 H new ATOM 0 HD21 LEU A 8 -8.408 -22.539 10.706 1.00 0.78 H new ATOM 0 HD22 LEU A 8 -7.842 -23.124 12.288 1.00 0.78 H new ATOM 0 HD23 LEU A 8 -9.093 -21.861 12.202 1.00 0.78 H new ATOM 20 N ARG A 9 -9.921 -19.050 14.055 1.00 0.76 N ATOM 21 CA ARG A 9 -11.361 -19.289 14.268 1.00 0.76 C ATOM 22 C ARG A 9 -12.211 -18.488 13.282 1.00 0.72 C ATOM 23 O ARG A 9 -12.872 -19.056 12.417 1.00 0.71 O ATOM 24 CB ARG A 9 -11.766 -19.065 15.737 1.00 0.79 C ATOM 25 CG ARG A 9 -11.454 -17.664 16.270 1.00 0.78 C ATOM 26 CD ARG A 9 -12.064 -17.434 17.650 1.00 0.82 C ATOM 27 NE ARG A 9 -11.810 -16.042 18.071 1.00 0.81 N ATOM 28 CZ ARG A 9 -10.655 -15.537 18.511 1.00 0.83 C ATOM 29 NH1 ARG A 9 -9.560 -16.283 18.613 1.00 0.84 N ATOM 30 NH2 ARG A 9 -10.595 -14.274 18.906 1.00 0.83 N ATOM 0 H ARG A 9 -9.663 -18.066 13.978 1.00 0.76 H new ATOM 0 HA ARG A 9 -11.560 -20.340 14.060 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -12.835 -19.250 15.839 1.00 0.79 H new ATOM 0 HB3 ARG A 9 -11.255 -19.800 16.359 1.00 0.79 H new ATOM 0 HG2 ARG A 9 -10.374 -17.527 16.323 1.00 0.78 H new ATOM 0 HG3 ARG A 9 -11.836 -16.917 15.574 1.00 0.78 H new ATOM 0 HD2 ARG A 9 -13.136 -17.628 17.623 1.00 0.82 H new ATOM 0 HD3 ARG A 9 -11.633 -18.128 18.371 1.00 0.82 H new ATOM 0 HE ARG A 9 -12.600 -15.398 18.020 1.00 0.81 H new ATOM 0 HH11 ARG A 9 -9.588 -17.269 18.352 1.00 0.84 H new ATOM 0 HH12 ARG A 9 -8.691 -15.870 18.952 1.00 0.84 H new ATOM 0 HH21 ARG A 9 -11.430 -13.689 18.874 1.00 0.83 H new ATOM 0 HH22 ARG A 9 -9.714 -13.886 19.243 1.00 0.83 H new ATOM 44 N GLU A 10 -12.138 -17.159 13.402 1.00 0.70 N ATOM 45 CA GLU A 10 -12.973 -16.220 12.645 1.00 0.67 C ATOM 46 C GLU A 10 -12.251 -14.884 12.472 1.00 0.65 C ATOM 47 O GLU A 10 -11.863 -14.240 13.448 1.00 0.67 O ATOM 48 CB GLU A 10 -14.289 -15.969 13.388 1.00 0.69 C ATOM 49 CG GLU A 10 -15.165 -17.225 13.481 1.00 0.71 C ATOM 50 CD GLU A 10 -16.510 -16.982 14.165 1.00 0.73 C ATOM 51 OE1 GLU A 10 -17.001 -15.831 14.093 1.00 0.72 O ATOM 52 OE2 GLU A 10 -17.035 -17.963 14.730 1.00 0.76 O ATOM 0 H GLU A 10 -11.487 -16.698 14.038 1.00 0.70 H new ATOM 0 HA GLU A 10 -13.174 -16.658 11.667 1.00 0.67 H new ATOM 0 HB2 GLU A 10 -14.071 -15.608 14.393 1.00 0.69 H new ATOM 0 HB3 GLU A 10 -14.844 -15.181 12.879 1.00 0.69 H new ATOM 0 HG2 GLU A 10 -15.342 -17.610 12.477 1.00 0.71 H new ATOM 0 HG3 GLU A 10 -14.623 -17.997 14.027 1.00 0.71 H new ATOM 59 N LEU A 11 -11.957 -14.595 11.217 1.00 0.62 N ATOM 60 CA LEU A 11 -11.282 -13.345 10.824 1.00 0.60 C ATOM 61 C LEU A 11 -12.095 -12.620 9.751 1.00 0.57 C ATOM 62 O LEU A 11 -12.641 -13.242 8.839 1.00 0.56 O ATOM 63 CB LEU A 11 -9.884 -13.667 10.300 1.00 0.60 C ATOM 64 CG LEU A 11 -9.007 -14.285 11.389 1.00 0.63 C ATOM 65 CD1 LEU A 11 -8.441 -15.621 10.907 1.00 0.65 C ATOM 66 CD2 LEU A 11 -7.890 -13.320 11.781 1.00 0.64 C ATOM 0 H LEU A 11 -12.174 -15.211 10.434 1.00 0.62 H new ATOM 0 HA LEU A 11 -11.199 -12.692 11.693 1.00 0.60 H new ATOM 0 HB2 LEU A 11 -9.959 -14.355 9.458 1.00 0.60 H new ATOM 0 HB3 LEU A 11 -9.415 -12.756 9.927 1.00 0.60 H new ATOM 0 HG LEU A 11 -9.614 -14.472 12.275 1.00 0.63 H new ATOM 0 HD11 LEU A 11 -7.817 -16.055 11.688 1.00 0.65 H new ATOM 0 HD12 LEU A 11 -9.261 -16.302 10.677 1.00 0.65 H new ATOM 0 HD13 LEU A 11 -7.841 -15.460 10.011 1.00 0.65 H new ATOM 0 HD21 LEU A 11 -7.273 -13.773 12.557 1.00 0.64 H new ATOM 0 HD22 LEU A 11 -7.274 -13.103 10.909 1.00 0.64 H new ATOM 0 HD23 LEU A 11 -8.325 -12.394 12.157 1.00 0.64 H new ATOM 78 N ARG A 12 -12.134 -11.310 9.899 1.00 0.56 N ATOM 79 CA ARG A 12 -12.932 -10.432 9.022 1.00 0.54 C ATOM 80 C ARG A 12 -11.981 -9.695 8.086 1.00 0.51 C ATOM 81 O ARG A 12 -10.860 -9.358 8.470 1.00 0.51 O ATOM 82 CB ARG A 12 -13.702 -9.409 9.875 1.00 0.55 C ATOM 83 CG ARG A 12 -14.390 -9.986 11.123 1.00 0.59 C ATOM 84 CD ARG A 12 -15.242 -11.208 10.771 1.00 0.59 C ATOM 85 NE ARG A 12 -16.007 -11.680 11.924 1.00 0.63 N ATOM 86 CZ ARG A 12 -17.319 -11.511 11.988 1.00 0.65 C ATOM 87 NH1 ARG A 12 -17.831 -10.355 12.386 1.00 0.66 N ATOM 88 NH2 ARG A 12 -18.119 -12.537 11.749 1.00 0.66 N ATOM 0 H ARG A 12 -11.619 -10.811 10.625 1.00 0.56 H new ATOM 0 HA ARG A 12 -13.644 -11.025 8.449 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -13.010 -8.627 10.189 1.00 0.55 H new ATOM 0 HB3 ARG A 12 -14.458 -8.933 9.250 1.00 0.55 H new ATOM 0 HG2 ARG A 12 -13.637 -10.265 11.860 1.00 0.59 H new ATOM 0 HG3 ARG A 12 -15.018 -9.222 11.581 1.00 0.59 H new ATOM 0 HD2 ARG A 12 -15.924 -10.955 9.960 1.00 0.59 H new ATOM 0 HD3 ARG A 12 -14.598 -12.009 10.408 1.00 0.59 H new ATOM 0 HE ARG A 12 -15.523 -12.147 12.691 1.00 0.63 H new ATOM 0 HH11 ARG A 12 -17.213 -9.586 12.646 1.00 0.66 H new ATOM 0 HH12 ARG A 12 -18.843 -10.234 12.432 1.00 0.66 H new ATOM 0 HH21 ARG A 12 -17.724 -13.449 11.518 1.00 0.66 H new ATOM 0 HH22 ARG A 12 -19.131 -12.417 11.796 1.00 0.66 H new ATOM 102 N CYS A 13 -12.445 -9.439 6.866 1.00 0.49 N ATOM 103 CA CYS A 13 -11.695 -8.603 5.912 1.00 0.47 C ATOM 104 C CYS A 13 -11.376 -7.240 6.549 1.00 0.47 C ATOM 105 O CYS A 13 -12.112 -6.761 7.413 1.00 0.48 O ATOM 106 CB CYS A 13 -12.534 -8.395 4.651 1.00 0.47 C ATOM 107 SG CYS A 13 -12.596 -9.844 3.535 1.00 0.48 S ATOM 0 H CYS A 13 -13.332 -9.793 6.509 1.00 0.49 H new ATOM 0 HA CYS A 13 -10.762 -9.102 5.652 1.00 0.47 H new ATOM 0 HB2 CYS A 13 -13.551 -8.135 4.945 1.00 0.47 H new ATOM 0 HB3 CYS A 13 -12.134 -7.544 4.100 1.00 0.47 H new ATOM 112 N VAL A 14 -10.267 -6.643 6.117 1.00 0.45 N ATOM 113 CA VAL A 14 -9.866 -5.300 6.611 1.00 0.45 C ATOM 114 C VAL A 14 -10.943 -4.237 6.299 1.00 0.44 C ATOM 115 O VAL A 14 -11.117 -3.264 7.027 1.00 0.45 O ATOM 116 CB VAL A 14 -8.452 -4.913 6.114 1.00 0.44 C ATOM 117 CG1 VAL A 14 -8.319 -4.721 4.600 1.00 0.43 C ATOM 118 CG2 VAL A 14 -7.926 -3.659 6.815 1.00 0.45 C ATOM 0 H VAL A 14 -9.628 -7.051 5.434 1.00 0.45 H new ATOM 0 HA VAL A 14 -9.798 -5.344 7.698 1.00 0.45 H new ATOM 0 HB VAL A 14 -7.848 -5.782 6.375 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -7.291 -4.452 4.356 1.00 0.43 H new ATOM 0 HG12 VAL A 14 -8.582 -5.648 4.091 1.00 0.43 H new ATOM 0 HG13 VAL A 14 -8.989 -3.926 4.274 1.00 0.43 H new ATOM 0 HG21 VAL A 14 -6.931 -3.421 6.438 1.00 0.45 H new ATOM 0 HG22 VAL A 14 -8.598 -2.823 6.618 1.00 0.45 H new ATOM 0 HG23 VAL A 14 -7.874 -3.837 7.889 1.00 0.45 H new ATOM 128 N CYS A 15 -11.637 -4.461 5.187 1.00 0.44 N ATOM 129 CA CYS A 15 -12.725 -3.606 4.691 1.00 0.44 C ATOM 130 C CYS A 15 -14.041 -4.374 4.613 1.00 0.46 C ATOM 131 O CYS A 15 -14.213 -5.248 3.763 1.00 0.46 O ATOM 132 CB CYS A 15 -12.393 -3.106 3.290 1.00 0.43 C ATOM 133 SG CYS A 15 -11.106 -1.826 3.286 1.00 0.42 S ATOM 0 H CYS A 15 -11.457 -5.264 4.585 1.00 0.44 H new ATOM 0 HA CYS A 15 -12.830 -2.774 5.387 1.00 0.44 H new ATOM 0 HB2 CYS A 15 -12.065 -3.946 2.678 1.00 0.43 H new ATOM 0 HB3 CYS A 15 -13.296 -2.708 2.828 1.00 0.43 H new ATOM 138 N LEU A 16 -14.904 -4.089 5.578 1.00 0.48 N ATOM 139 CA LEU A 16 -16.265 -4.663 5.590 1.00 0.51 C ATOM 140 C LEU A 16 -17.263 -3.904 4.701 1.00 0.53 C ATOM 141 O LEU A 16 -18.153 -4.506 4.091 1.00 0.55 O ATOM 142 CB LEU A 16 -16.790 -4.773 7.027 1.00 0.54 C ATOM 143 CG LEU A 16 -15.987 -5.775 7.873 1.00 0.53 C ATOM 144 CD1 LEU A 16 -16.520 -5.774 9.306 1.00 0.57 C ATOM 145 CD2 LEU A 16 -16.046 -7.196 7.297 1.00 0.53 C ATOM 0 H LEU A 16 -14.699 -3.470 6.362 1.00 0.48 H new ATOM 0 HA LEU A 16 -16.179 -5.660 5.159 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -16.753 -3.792 7.500 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -17.836 -5.077 7.006 1.00 0.54 H new ATOM 0 HG LEU A 16 -14.943 -5.461 7.860 1.00 0.53 H new ATOM 0 HD11 LEU A 16 -15.951 -6.484 9.906 1.00 0.57 H new ATOM 0 HD12 LEU A 16 -16.418 -4.776 9.731 1.00 0.57 H new ATOM 0 HD13 LEU A 16 -17.571 -6.062 9.303 1.00 0.57 H new ATOM 0 HD21 LEU A 16 -15.465 -7.869 7.928 1.00 0.53 H new ATOM 0 HD22 LEU A 16 -17.082 -7.533 7.265 1.00 0.53 H new ATOM 0 HD23 LEU A 16 -15.633 -7.197 6.288 1.00 0.53 H new ATOM 157 N GLN A 17 -17.076 -2.606 4.614 1.00 0.53 N ATOM 158 CA GLN A 17 -17.920 -1.688 3.838 1.00 0.55 C ATOM 159 C GLN A 17 -17.132 -1.131 2.640 1.00 0.53 C ATOM 160 O GLN A 17 -15.956 -1.433 2.438 1.00 0.50 O ATOM 161 CB GLN A 17 -18.453 -0.558 4.741 1.00 0.57 C ATOM 162 CG GLN A 17 -17.413 0.466 5.229 1.00 0.56 C ATOM 163 CD GLN A 17 -16.405 -0.064 6.260 1.00 0.54 C ATOM 164 OE1 GLN A 17 -16.442 -1.162 6.790 1.00 0.54 O ATOM 165 NE2 GLN A 17 -15.448 0.763 6.596 1.00 0.53 N ATOM 0 H GLN A 17 -16.310 -2.132 5.093 1.00 0.53 H new ATOM 0 HA GLN A 17 -18.780 -2.233 3.449 1.00 0.55 H new ATOM 0 HB2 GLN A 17 -19.232 -0.023 4.198 1.00 0.57 H new ATOM 0 HB3 GLN A 17 -18.925 -1.010 5.613 1.00 0.57 H new ATOM 0 HG2 GLN A 17 -16.862 0.840 4.366 1.00 0.56 H new ATOM 0 HG3 GLN A 17 -17.940 1.316 5.664 1.00 0.56 H new ATOM 0 HE21 GLN A 17 -15.397 1.686 6.166 1.00 0.53 H new ATOM 0 HE22 GLN A 17 -14.753 0.484 7.288 1.00 0.53 H new ATOM 174 N THR A 18 -17.816 -0.273 1.905 1.00 0.56 N ATOM 175 CA THR A 18 -17.255 0.407 0.724 1.00 0.55 C ATOM 176 C THR A 18 -17.470 1.928 0.800 1.00 0.57 C ATOM 177 O THR A 18 -17.988 2.457 1.787 1.00 0.58 O ATOM 178 CB THR A 18 -17.873 -0.234 -0.529 1.00 0.57 C ATOM 179 OG1 THR A 18 -17.229 0.307 -1.678 1.00 0.57 O ATOM 180 CG2 THR A 18 -19.395 -0.054 -0.638 1.00 0.62 C ATOM 0 H THR A 18 -18.784 -0.018 2.102 1.00 0.56 H new ATOM 0 HA THR A 18 -16.174 0.277 0.682 1.00 0.55 H new ATOM 0 HB THR A 18 -17.713 -1.310 -0.455 1.00 0.57 H new ATOM 0 HG1 THR A 18 -17.903 0.552 -2.346 1.00 0.57 H new ATOM 0 HG21 THR A 18 -19.754 -0.534 -1.548 1.00 0.62 H new ATOM 0 HG22 THR A 18 -19.878 -0.509 0.227 1.00 0.62 H new ATOM 0 HG23 THR A 18 -19.634 1.009 -0.670 1.00 0.62 H new ATOM 188 N THR A 19 -17.153 2.611 -0.294 1.00 0.57 N ATOM 189 CA THR A 19 -17.271 4.067 -0.464 1.00 0.59 C ATOM 190 C THR A 19 -17.353 4.422 -1.960 1.00 0.61 C ATOM 191 O THR A 19 -16.842 3.708 -2.830 1.00 0.60 O ATOM 192 CB THR A 19 -16.070 4.772 0.206 1.00 0.56 C ATOM 193 OG1 THR A 19 -16.024 4.431 1.595 1.00 0.55 O ATOM 194 CG2 THR A 19 -16.112 6.299 0.107 1.00 0.58 C ATOM 0 H THR A 19 -16.790 2.150 -1.128 1.00 0.57 H new ATOM 0 HA THR A 19 -18.186 4.412 0.017 1.00 0.59 H new ATOM 0 HB THR A 19 -15.188 4.426 -0.333 1.00 0.56 H new ATOM 0 HG1 THR A 19 -15.445 3.650 1.721 1.00 0.55 H new ATOM 0 HG21 THR A 19 -15.236 6.720 0.600 1.00 0.58 H new ATOM 0 HG22 THR A 19 -16.115 6.596 -0.942 1.00 0.58 H new ATOM 0 HG23 THR A 19 -17.015 6.670 0.592 1.00 0.58 H new ATOM 202 N GLN A 20 -18.012 5.545 -2.206 1.00 0.65 N ATOM 203 CA GLN A 20 -18.195 6.152 -3.526 1.00 0.68 C ATOM 204 C GLN A 20 -17.785 7.629 -3.542 1.00 0.68 C ATOM 205 O GLN A 20 -18.592 8.560 -3.563 1.00 0.72 O ATOM 206 CB GLN A 20 -19.628 5.934 -4.049 1.00 0.72 C ATOM 207 CG GLN A 20 -20.775 6.596 -3.277 1.00 0.75 C ATOM 208 CD GLN A 20 -20.988 6.090 -1.848 1.00 0.74 C ATOM 209 OE1 GLN A 20 -20.524 5.063 -1.379 1.00 0.71 O ATOM 210 NE2 GLN A 20 -21.787 6.821 -1.112 1.00 0.76 N ATOM 0 H GLN A 20 -18.455 6.085 -1.462 1.00 0.65 H new ATOM 0 HA GLN A 20 -17.523 5.642 -4.216 1.00 0.68 H new ATOM 0 HB2 GLN A 20 -19.667 6.289 -5.079 1.00 0.72 H new ATOM 0 HB3 GLN A 20 -19.816 4.861 -4.075 1.00 0.72 H new ATOM 0 HG2 GLN A 20 -20.592 7.670 -3.240 1.00 0.75 H new ATOM 0 HG3 GLN A 20 -21.699 6.449 -3.837 1.00 0.75 H new ATOM 0 HE21 GLN A 20 -22.183 7.682 -1.489 1.00 0.76 H new ATOM 0 HE22 GLN A 20 -22.014 6.530 -0.161 1.00 0.76 H new ATOM 219 N GLY A 21 -16.466 7.810 -3.475 1.00 0.65 N ATOM 220 CA GLY A 21 -15.912 9.155 -3.604 1.00 0.65 C ATOM 221 C GLY A 21 -15.745 9.541 -5.088 1.00 0.68 C ATOM 222 O GLY A 21 -15.959 8.696 -5.951 1.00 0.69 O ATOM 0 H GLY A 21 -15.781 7.067 -3.337 1.00 0.65 H new ATOM 0 HA2 GLY A 21 -16.567 9.872 -3.109 1.00 0.65 H new ATOM 0 HA3 GLY A 21 -14.947 9.205 -3.100 1.00 0.65 H new ATOM 226 N VAL A 22 -15.210 10.698 -5.460 1.00 0.69 N ATOM 227 CA VAL A 22 -14.513 11.831 -4.783 1.00 0.68 C ATOM 228 C VAL A 22 -13.331 12.226 -5.696 1.00 0.67 C ATOM 229 O VAL A 22 -13.173 11.679 -6.783 1.00 0.68 O ATOM 230 CB VAL A 22 -14.038 11.579 -3.322 1.00 0.64 C ATOM 231 CG1 VAL A 22 -12.853 10.607 -3.181 1.00 0.60 C ATOM 232 CG2 VAL A 22 -13.846 12.869 -2.515 1.00 0.65 C ATOM 0 H VAL A 22 -15.260 10.921 -6.454 1.00 0.69 H new ATOM 0 HA VAL A 22 -15.240 12.633 -4.655 1.00 0.68 H new ATOM 0 HB VAL A 22 -14.876 11.051 -2.867 1.00 0.64 H new ATOM 0 HG11 VAL A 22 -12.596 10.497 -2.127 1.00 0.60 H new ATOM 0 HG12 VAL A 22 -13.129 9.635 -3.591 1.00 0.60 H new ATOM 0 HG13 VAL A 22 -11.994 11.000 -3.725 1.00 0.60 H new ATOM 0 HG21 VAL A 22 -13.515 12.621 -1.507 1.00 0.65 H new ATOM 0 HG22 VAL A 22 -13.096 13.494 -3.000 1.00 0.65 H new ATOM 0 HG23 VAL A 22 -14.791 13.410 -2.464 1.00 0.65 H new ATOM 242 N HIS A 23 -12.466 13.118 -5.227 1.00 0.66 N ATOM 243 CA HIS A 23 -11.252 13.487 -5.955 1.00 0.66 C ATOM 244 C HIS A 23 -10.004 13.109 -5.129 1.00 0.62 C ATOM 245 O HIS A 23 -10.006 13.290 -3.907 1.00 0.60 O ATOM 246 CB HIS A 23 -11.300 14.987 -6.272 1.00 0.69 C ATOM 247 CG HIS A 23 -10.214 15.392 -7.274 1.00 0.70 C ATOM 248 ND1 HIS A 23 -8.932 15.577 -6.976 1.00 0.68 N ATOM 249 CD2 HIS A 23 -10.370 15.654 -8.567 1.00 0.73 C ATOM 250 CE1 HIS A 23 -8.294 15.969 -8.076 1.00 0.70 C ATOM 251 NE2 HIS A 23 -9.187 16.016 -9.060 1.00 0.73 N ATOM 0 H HIS A 23 -12.583 13.604 -4.338 1.00 0.66 H new ATOM 0 HA HIS A 23 -11.192 12.940 -6.896 1.00 0.66 H new ATOM 0 HB2 HIS A 23 -12.280 15.242 -6.675 1.00 0.69 H new ATOM 0 HB3 HIS A 23 -11.176 15.557 -5.351 1.00 0.69 H new ATOM 0 HD2 HIS A 23 -11.294 15.585 -9.121 1.00 0.73 H new ATOM 0 HE1 HIS A 23 -7.243 16.206 -8.155 1.00 0.70 H new ATOM 0 HE2 HIS A 23 -8.998 16.283 -10.026 1.00 0.73 H new ATOM 259 N PRO A 24 -8.939 12.662 -5.819 1.00 0.61 N ATOM 260 CA PRO A 24 -7.616 12.367 -5.228 1.00 0.58 C ATOM 261 C PRO A 24 -7.074 13.517 -4.386 1.00 0.58 C ATOM 262 O PRO A 24 -6.228 13.289 -3.534 1.00 0.56 O ATOM 263 CB PRO A 24 -6.669 12.236 -6.414 1.00 0.60 C ATOM 264 CG PRO A 24 -7.562 11.719 -7.529 1.00 0.62 C ATOM 265 CD PRO A 24 -8.907 12.381 -7.270 1.00 0.64 C ATOM 0 HA PRO A 24 -7.700 11.486 -4.592 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -6.217 13.193 -6.674 1.00 0.60 H new ATOM 0 HB3 PRO A 24 -5.853 11.545 -6.201 1.00 0.60 H new ATOM 0 HG2 PRO A 24 -7.169 11.987 -8.510 1.00 0.62 H new ATOM 0 HG3 PRO A 24 -7.642 10.632 -7.503 1.00 0.62 H new ATOM 0 HD2 PRO A 24 -9.010 13.299 -7.849 1.00 0.64 H new ATOM 0 HD3 PRO A 24 -9.729 11.726 -7.561 1.00 0.64 H new ATOM 273 N LYS A 25 -7.564 14.733 -4.630 1.00 0.61 N ATOM 274 CA LYS A 25 -7.168 15.954 -3.915 1.00 0.61 C ATOM 275 C LYS A 25 -7.256 15.799 -2.386 1.00 0.59 C ATOM 276 O LYS A 25 -6.473 16.392 -1.655 1.00 0.59 O ATOM 277 CB LYS A 25 -8.070 17.099 -4.367 1.00 0.65 C ATOM 278 CG LYS A 25 -7.264 18.393 -4.475 1.00 0.67 C ATOM 279 CD LYS A 25 -8.107 19.579 -4.950 1.00 0.70 C ATOM 280 CE LYS A 25 -9.108 20.033 -3.886 1.00 0.71 C ATOM 281 NZ LYS A 25 -9.006 21.486 -3.698 1.00 0.74 N ATOM 0 H LYS A 25 -8.267 14.904 -5.349 1.00 0.61 H new ATOM 0 HA LYS A 25 -6.125 16.160 -4.154 1.00 0.61 H new ATOM 0 HB2 LYS A 25 -8.519 16.860 -5.331 1.00 0.65 H new ATOM 0 HB3 LYS A 25 -8.888 17.229 -3.658 1.00 0.65 H new ATOM 0 HG2 LYS A 25 -6.830 18.628 -3.503 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -6.435 18.243 -5.166 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -7.451 20.410 -5.208 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -8.643 19.302 -5.858 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -10.121 19.766 -4.188 1.00 0.71 H new ATOM 0 HE3 LYS A 25 -8.911 19.520 -2.945 1.00 0.71 H new ATOM 0 HZ1 LYS A 25 -9.688 21.791 -2.974 1.00 0.74 H new ATOM 0 HZ2 LYS A 25 -8.043 21.730 -3.391 1.00 0.74 H new ATOM 0 HZ3 LYS A 25 -9.215 21.968 -4.596 1.00 0.74 H new ATOM 295 N MET A 26 -8.174 14.936 -1.948 1.00 0.58 N ATOM 296 CA MET A 26 -8.345 14.590 -0.525 1.00 0.58 C ATOM 297 C MET A 26 -7.456 13.421 -0.065 1.00 0.54 C ATOM 298 O MET A 26 -7.230 13.222 1.131 1.00 0.54 O ATOM 299 CB MET A 26 -9.820 14.300 -0.236 1.00 0.59 C ATOM 300 CG MET A 26 -10.703 15.545 -0.395 1.00 0.67 C ATOM 301 SD MET A 26 -10.421 16.841 0.870 1.00 0.79 S ATOM 302 CE MET A 26 -9.371 17.984 -0.005 1.00 1.08 C ATOM 0 H MET A 26 -8.825 14.453 -2.567 1.00 0.58 H new ATOM 0 HA MET A 26 -8.018 15.455 0.053 1.00 0.58 H new ATOM 0 HB2 MET A 26 -10.173 13.519 -0.910 1.00 0.59 H new ATOM 0 HB3 MET A 26 -9.920 13.914 0.779 1.00 0.59 H new ATOM 0 HG2 MET A 26 -10.530 15.974 -1.382 1.00 0.67 H new ATOM 0 HG3 MET A 26 -11.749 15.241 -0.359 1.00 0.67 H new ATOM 0 HE1 MET A 26 -9.567 18.998 0.344 1.00 1.08 H new ATOM 0 HE2 MET A 26 -8.326 17.732 0.179 1.00 1.08 H new ATOM 0 HE3 MET A 26 -9.576 17.922 -1.074 1.00 1.08 H new ATOM 312 N ILE A 27 -6.976 12.630 -1.021 1.00 0.52 N ATOM 313 CA ILE A 27 -6.137 11.468 -0.716 1.00 0.50 C ATOM 314 C ILE A 27 -4.648 11.821 -0.782 1.00 0.51 C ATOM 315 O ILE A 27 -4.234 12.657 -1.585 1.00 0.58 O ATOM 316 CB ILE A 27 -6.429 10.299 -1.691 1.00 0.53 C ATOM 317 CG1 ILE A 27 -7.942 10.095 -1.867 1.00 0.56 C ATOM 318 CG2 ILE A 27 -5.772 9.012 -1.206 1.00 0.54 C ATOM 319 CD1 ILE A 27 -8.670 9.699 -0.596 1.00 0.57 C ATOM 0 H ILE A 27 -7.152 12.770 -2.016 1.00 0.52 H new ATOM 0 HA ILE A 27 -6.381 11.157 0.300 1.00 0.50 H new ATOM 0 HB ILE A 27 -6.004 10.559 -2.661 1.00 0.53 H new ATOM 0 HG12 ILE A 27 -8.379 11.017 -2.250 1.00 0.56 H new ATOM 0 HG13 ILE A 27 -8.108 9.326 -2.622 1.00 0.56 H new ATOM 0 HG21 ILE A 27 -5.991 8.206 -1.906 1.00 0.54 H new ATOM 0 HG22 ILE A 27 -4.693 9.155 -1.143 1.00 0.54 H new ATOM 0 HG23 ILE A 27 -6.162 8.753 -0.221 1.00 0.54 H new ATOM 0 HD11 ILE A 27 -9.732 9.575 -0.808 1.00 0.57 H new ATOM 0 HD12 ILE A 27 -8.263 8.760 -0.221 1.00 0.57 H new ATOM 0 HD13 ILE A 27 -8.539 10.477 0.156 1.00 0.57 H new ATOM 331 N SER A 28 -3.846 11.177 0.071 1.00 0.49 N ATOM 332 CA SER A 28 -2.407 11.421 0.112 1.00 0.54 C ATOM 333 C SER A 28 -1.635 10.119 0.337 1.00 0.55 C ATOM 334 O SER A 28 -0.428 10.054 0.102 1.00 0.69 O ATOM 335 CB SER A 28 -2.071 12.423 1.219 1.00 0.61 C ATOM 336 OG SER A 28 -2.669 13.683 0.968 1.00 0.69 O ATOM 0 H SER A 28 -4.173 10.482 0.742 1.00 0.49 H new ATOM 0 HA SER A 28 -2.108 11.836 -0.851 1.00 0.54 H new ATOM 0 HB2 SER A 28 -2.416 12.038 2.179 1.00 0.61 H new ATOM 0 HB3 SER A 28 -0.990 12.539 1.293 1.00 0.61 H new ATOM 0 HG SER A 28 -1.994 14.388 1.055 1.00 0.69 H new ATOM 342 N ASN A 29 -2.338 9.084 0.796 1.00 0.51 N ATOM 343 CA ASN A 29 -1.719 7.788 1.054 1.00 0.51 C ATOM 344 C ASN A 29 -2.611 6.649 0.560 1.00 0.50 C ATOM 345 O ASN A 29 -3.825 6.670 0.754 1.00 0.51 O ATOM 346 CB ASN A 29 -1.429 7.630 2.552 1.00 0.54 C ATOM 347 CG ASN A 29 -1.061 6.207 2.937 1.00 0.57 C ATOM 348 OD1 ASN A 29 0.073 5.771 2.738 1.00 0.64 O ATOM 349 ND2 ASN A 29 -2.016 5.480 3.505 1.00 0.78 N ATOM 0 H ASN A 29 -3.337 9.120 0.996 1.00 0.51 H new ATOM 0 HA ASN A 29 -0.778 7.742 0.506 1.00 0.51 H new ATOM 0 HB2 ASN A 29 -0.615 8.299 2.832 1.00 0.54 H new ATOM 0 HB3 ASN A 29 -2.306 7.940 3.121 1.00 0.54 H new ATOM 0 HD21 ASN A 29 -1.823 4.521 3.795 1.00 0.78 H new ATOM 0 HD22 ASN A 29 -2.943 5.880 3.652 1.00 0.78 H new ATOM 356 N LEU A 30 -1.994 5.655 -0.080 1.00 0.54 N ATOM 357 CA LEU A 30 -2.723 4.503 -0.600 1.00 0.56 C ATOM 358 C LEU A 30 -2.140 3.202 -0.046 1.00 0.57 C ATOM 359 O LEU A 30 -0.946 3.114 0.220 1.00 0.74 O ATOM 360 CB LEU A 30 -2.682 4.492 -2.133 1.00 0.60 C ATOM 361 CG LEU A 30 -3.521 3.401 -2.804 1.00 0.67 C ATOM 362 CD1 LEU A 30 -5.006 3.661 -2.596 1.00 0.69 C ATOM 363 CD2 LEU A 30 -3.199 3.311 -4.288 1.00 0.73 C ATOM 0 H LEU A 30 -0.989 5.627 -0.250 1.00 0.54 H new ATOM 0 HA LEU A 30 -3.762 4.581 -0.278 1.00 0.56 H new ATOM 0 HB2 LEU A 30 -3.021 5.462 -2.496 1.00 0.60 H new ATOM 0 HB3 LEU A 30 -1.646 4.377 -2.451 1.00 0.60 H new ATOM 0 HG LEU A 30 -3.271 2.447 -2.340 1.00 0.67 H new ATOM 0 HD11 LEU A 30 -5.584 2.874 -3.081 1.00 0.69 H new ATOM 0 HD12 LEU A 30 -5.228 3.670 -1.529 1.00 0.69 H new ATOM 0 HD13 LEU A 30 -5.271 4.625 -3.029 1.00 0.69 H new ATOM 0 HD21 LEU A 30 -3.806 2.530 -4.745 1.00 0.73 H new ATOM 0 HD22 LEU A 30 -3.416 4.266 -4.766 1.00 0.73 H new ATOM 0 HD23 LEU A 30 -2.143 3.073 -4.417 1.00 0.73 H new ATOM 375 N GLN A 31 -2.996 2.200 0.134 1.00 0.50 N ATOM 376 CA GLN A 31 -2.568 0.903 0.653 1.00 0.51 C ATOM 377 C GLN A 31 -3.288 -0.229 -0.076 1.00 0.52 C ATOM 378 O GLN A 31 -4.491 -0.429 0.104 1.00 0.61 O ATOM 379 CB GLN A 31 -2.848 0.808 2.157 1.00 0.54 C ATOM 380 CG GLN A 31 -1.937 1.671 3.014 1.00 0.61 C ATOM 381 CD GLN A 31 -2.434 1.815 4.438 1.00 0.84 C ATOM 382 OE1 GLN A 31 -3.176 2.744 4.758 1.00 1.16 O ATOM 383 NE2 GLN A 31 -2.031 0.893 5.305 1.00 1.16 N ATOM 0 H GLN A 31 -3.993 2.261 -0.072 1.00 0.50 H new ATOM 0 HA GLN A 31 -1.495 0.807 0.485 1.00 0.51 H new ATOM 0 HB2 GLN A 31 -3.883 1.096 2.342 1.00 0.54 H new ATOM 0 HB3 GLN A 31 -2.746 -0.231 2.470 1.00 0.54 H new ATOM 0 HG2 GLN A 31 -0.937 1.237 3.025 1.00 0.61 H new ATOM 0 HG3 GLN A 31 -1.850 2.659 2.563 1.00 0.61 H new ATOM 0 HE21 GLN A 31 -1.416 0.139 4.999 1.00 1.16 H new ATOM 0 HE22 GLN A 31 -2.337 0.939 6.277 1.00 1.16 H new ATOM 392 N VAL A 32 -2.549 -0.968 -0.903 1.00 0.49 N ATOM 393 CA VAL A 32 -3.119 -2.075 -1.664 1.00 0.51 C ATOM 394 C VAL A 32 -2.911 -3.403 -0.946 1.00 0.50 C ATOM 395 O VAL A 32 -1.852 -4.022 -1.059 1.00 0.61 O ATOM 396 CB VAL A 32 -2.513 -2.163 -3.080 1.00 0.56 C ATOM 397 CG1 VAL A 32 -3.285 -3.156 -3.938 1.00 0.62 C ATOM 398 CG2 VAL A 32 -2.482 -0.792 -3.741 1.00 0.59 C ATOM 0 H VAL A 32 -1.553 -0.818 -1.062 1.00 0.49 H new ATOM 0 HA VAL A 32 -4.187 -1.878 -1.751 1.00 0.51 H new ATOM 0 HB VAL A 32 -1.487 -2.519 -2.987 1.00 0.56 H new ATOM 0 HG11 VAL A 32 -2.840 -3.201 -4.932 1.00 0.62 H new ATOM 0 HG12 VAL A 32 -3.245 -4.143 -3.477 1.00 0.62 H new ATOM 0 HG13 VAL A 32 -4.324 -2.836 -4.020 1.00 0.62 H new ATOM 0 HG21 VAL A 32 -2.051 -0.879 -4.738 1.00 0.59 H new ATOM 0 HG22 VAL A 32 -3.497 -0.402 -3.817 1.00 0.59 H new ATOM 0 HG23 VAL A 32 -1.876 -0.113 -3.141 1.00 0.59 H new ATOM 408 N PHE A 33 -3.926 -3.832 -0.203 1.00 0.48 N ATOM 409 CA PHE A 33 -3.860 -5.087 0.536 1.00 0.49 C ATOM 410 C PHE A 33 -4.359 -6.247 -0.318 1.00 0.52 C ATOM 411 O PHE A 33 -5.469 -6.201 -0.851 1.00 0.57 O ATOM 412 CB PHE A 33 -4.687 -4.997 1.819 1.00 0.52 C ATOM 413 CG PHE A 33 -4.025 -4.202 2.909 1.00 0.53 C ATOM 414 CD1 PHE A 33 -3.103 -4.799 3.751 1.00 0.63 C ATOM 415 CD2 PHE A 33 -4.334 -2.865 3.098 1.00 0.60 C ATOM 416 CE1 PHE A 33 -2.492 -4.075 4.757 1.00 0.73 C ATOM 417 CE2 PHE A 33 -3.727 -2.136 4.103 1.00 0.68 C ATOM 418 CZ PHE A 33 -2.808 -2.743 4.936 1.00 0.72 C ATOM 0 H PHE A 33 -4.806 -3.327 -0.097 1.00 0.48 H new ATOM 0 HA PHE A 33 -2.817 -5.268 0.796 1.00 0.49 H new ATOM 0 HB2 PHE A 33 -5.652 -4.547 1.588 1.00 0.52 H new ATOM 0 HB3 PHE A 33 -4.885 -6.005 2.185 1.00 0.52 H new ATOM 0 HD1 PHE A 33 -2.858 -5.843 3.620 1.00 0.63 H new ATOM 0 HD2 PHE A 33 -5.057 -2.387 2.453 1.00 0.60 H new ATOM 0 HE1 PHE A 33 -1.768 -4.550 5.402 1.00 0.73 H new ATOM 0 HE2 PHE A 33 -3.971 -1.093 4.237 1.00 0.68 H new ATOM 0 HZ PHE A 33 -2.337 -2.177 5.726 1.00 0.72 H new ATOM 428 N ALA A 34 -3.536 -7.283 -0.445 1.00 0.53 N ATOM 429 CA ALA A 34 -3.900 -8.451 -1.237 1.00 0.58 C ATOM 430 C ALA A 34 -4.616 -9.506 -0.392 1.00 0.58 C ATOM 431 O ALA A 34 -5.151 -9.204 0.678 1.00 0.62 O ATOM 432 CB ALA A 34 -2.662 -9.042 -1.896 1.00 0.66 C ATOM 0 H ALA A 34 -2.615 -7.337 -0.010 1.00 0.53 H new ATOM 0 HA ALA A 34 -4.595 -8.128 -2.012 1.00 0.58 H new ATOM 0 HB1 ALA A 34 -2.945 -9.914 -2.485 1.00 0.66 H new ATOM 0 HB2 ALA A 34 -2.205 -8.297 -2.547 1.00 0.66 H new ATOM 0 HB3 ALA A 34 -1.948 -9.339 -1.128 1.00 0.66 H new ATOM 438 N ILE A 35 -4.629 -10.742 -0.888 1.00 0.63 N ATOM 439 CA ILE A 35 -5.277 -11.855 -0.196 1.00 0.65 C ATOM 440 C ILE A 35 -4.508 -12.245 1.067 1.00 0.62 C ATOM 441 O ILE A 35 -3.292 -12.445 1.031 1.00 0.68 O ATOM 442 CB ILE A 35 -5.399 -13.084 -1.124 1.00 0.77 C ATOM 443 CG1 ILE A 35 -6.170 -12.716 -2.395 1.00 0.91 C ATOM 444 CG2 ILE A 35 -6.075 -14.241 -0.401 1.00 0.80 C ATOM 445 CD1 ILE A 35 -6.183 -13.815 -3.434 1.00 1.14 C ATOM 0 H ILE A 35 -4.194 -10.999 -1.774 1.00 0.63 H new ATOM 0 HA ILE A 35 -6.275 -11.522 0.090 1.00 0.65 H new ATOM 0 HB ILE A 35 -4.396 -13.403 -1.408 1.00 0.77 H new ATOM 0 HG12 ILE A 35 -7.197 -12.468 -2.128 1.00 0.91 H new ATOM 0 HG13 ILE A 35 -5.729 -11.820 -2.831 1.00 0.91 H new ATOM 0 HG21 ILE A 35 -6.150 -15.096 -1.073 1.00 0.80 H new ATOM 0 HG22 ILE A 35 -5.486 -14.518 0.473 1.00 0.80 H new ATOM 0 HG23 ILE A 35 -7.073 -13.939 -0.085 1.00 0.80 H new ATOM 0 HD11 ILE A 35 -6.747 -13.484 -4.306 1.00 1.14 H new ATOM 0 HD12 ILE A 35 -5.160 -14.048 -3.730 1.00 1.14 H new ATOM 0 HD13 ILE A 35 -6.652 -14.706 -3.016 1.00 1.14 H new ATOM 457 N GLY A 36 -5.227 -12.352 2.181 1.00 0.61 N ATOM 458 CA GLY A 36 -4.608 -12.719 3.442 1.00 0.63 C ATOM 459 C GLY A 36 -5.381 -13.803 4.172 1.00 0.65 C ATOM 460 O GLY A 36 -6.249 -14.447 3.585 1.00 0.66 O ATOM 0 H GLY A 36 -6.233 -12.190 2.232 1.00 0.61 H new ATOM 0 HA2 GLY A 36 -3.591 -13.064 3.258 1.00 0.63 H new ATOM 0 HA3 GLY A 36 -4.535 -11.837 4.078 1.00 0.63 H new ATOM 464 N PRO A 37 -5.080 -14.032 5.463 1.00 0.69 N ATOM 465 CA PRO A 37 -5.760 -15.045 6.278 1.00 0.74 C ATOM 466 C PRO A 37 -7.135 -14.587 6.764 1.00 0.72 C ATOM 467 O PRO A 37 -7.893 -15.368 7.340 1.00 0.77 O ATOM 468 CB PRO A 37 -4.814 -15.239 7.479 1.00 0.81 C ATOM 469 CG PRO A 37 -3.605 -14.403 7.200 1.00 0.79 C ATOM 470 CD PRO A 37 -4.040 -13.342 6.232 1.00 0.71 C ATOM 0 HA PRO A 37 -5.947 -15.955 5.708 1.00 0.74 H new ATOM 0 HB2 PRO A 37 -5.295 -14.930 8.407 1.00 0.81 H new ATOM 0 HB3 PRO A 37 -4.543 -16.288 7.595 1.00 0.81 H new ATOM 0 HG2 PRO A 37 -3.220 -13.958 8.117 1.00 0.79 H new ATOM 0 HG3 PRO A 37 -2.803 -15.008 6.778 1.00 0.79 H new ATOM 0 HD2 PRO A 37 -4.428 -12.460 6.742 1.00 0.71 H new ATOM 0 HD3 PRO A 37 -3.219 -13.008 5.598 1.00 0.71 H new ATOM 478 N GLN A 38 -7.447 -13.317 6.525 1.00 0.66 N ATOM 479 CA GLN A 38 -8.734 -12.742 6.945 1.00 0.65 C ATOM 480 C GLN A 38 -9.659 -12.409 5.762 1.00 0.61 C ATOM 481 O GLN A 38 -10.862 -12.233 5.936 1.00 0.62 O ATOM 482 CB GLN A 38 -8.469 -11.496 7.798 1.00 0.65 C ATOM 483 CG GLN A 38 -7.754 -10.366 7.051 1.00 0.60 C ATOM 484 CD GLN A 38 -7.531 -9.173 7.975 1.00 0.63 C ATOM 485 OE1 GLN A 38 -6.842 -9.236 8.979 1.00 0.73 O ATOM 486 NE2 GLN A 38 -8.079 -8.045 7.594 1.00 0.61 N ATOM 0 H GLN A 38 -6.831 -12.662 6.044 1.00 0.66 H new ATOM 0 HA GLN A 38 -9.260 -13.494 7.532 1.00 0.65 H new ATOM 0 HB2 GLN A 38 -9.419 -11.121 8.179 1.00 0.65 H new ATOM 0 HB3 GLN A 38 -7.870 -11.782 8.662 1.00 0.65 H new ATOM 0 HG2 GLN A 38 -6.797 -10.722 6.670 1.00 0.60 H new ATOM 0 HG3 GLN A 38 -8.346 -10.060 6.189 1.00 0.60 H new ATOM 0 HE21 GLN A 38 -8.652 -8.016 6.750 1.00 0.61 H new ATOM 0 HE22 GLN A 38 -7.933 -7.197 8.141 1.00 0.61 H new ATOM 495 N CYS A 39 -9.067 -12.254 4.581 1.00 0.57 N ATOM 496 CA CYS A 39 -9.822 -11.889 3.388 1.00 0.55 C ATOM 497 C CYS A 39 -9.369 -12.697 2.179 1.00 0.61 C ATOM 498 O CYS A 39 -8.186 -12.994 2.026 1.00 0.71 O ATOM 499 CB CYS A 39 -9.637 -10.392 3.116 1.00 0.49 C ATOM 500 SG CYS A 39 -11.032 -9.590 2.263 1.00 0.47 S ATOM 0 H CYS A 39 -8.066 -12.376 4.425 1.00 0.57 H new ATOM 0 HA CYS A 39 -10.875 -12.110 3.560 1.00 0.55 H new ATOM 0 HB2 CYS A 39 -9.469 -9.883 4.065 1.00 0.49 H new ATOM 0 HB3 CYS A 39 -8.737 -10.255 2.517 1.00 0.49 H new ATOM 505 N SER A 40 -10.318 -13.043 1.316 1.00 0.67 N ATOM 506 CA SER A 40 -10.018 -13.811 0.114 1.00 0.78 C ATOM 507 C SER A 40 -10.099 -12.921 -1.125 1.00 0.74 C ATOM 508 O SER A 40 -10.014 -13.399 -2.257 1.00 0.97 O ATOM 509 CB SER A 40 -10.990 -14.988 -0.014 1.00 0.92 C ATOM 510 OG SER A 40 -10.548 -15.916 -0.991 1.00 1.07 O ATOM 0 H SER A 40 -11.303 -12.803 1.427 1.00 0.67 H new ATOM 0 HA SER A 40 -9.002 -14.199 0.194 1.00 0.78 H new ATOM 0 HB2 SER A 40 -11.087 -15.489 0.949 1.00 0.92 H new ATOM 0 HB3 SER A 40 -11.980 -14.618 -0.282 1.00 0.92 H new ATOM 0 HG SER A 40 -10.108 -15.436 -1.723 1.00 1.07 H new ATOM 516 N LYS A 41 -10.255 -11.620 -0.898 1.00 0.72 N ATOM 517 CA LYS A 41 -10.358 -10.652 -1.984 1.00 0.69 C ATOM 518 C LYS A 41 -9.449 -9.451 -1.732 1.00 0.68 C ATOM 519 O LYS A 41 -9.179 -9.097 -0.583 1.00 0.70 O ATOM 520 CB LYS A 41 -11.810 -10.186 -2.120 1.00 0.68 C ATOM 521 CG LYS A 41 -12.080 -9.356 -3.364 1.00 0.77 C ATOM 522 CD LYS A 41 -13.477 -8.761 -3.339 1.00 0.88 C ATOM 523 CE LYS A 41 -13.733 -7.894 -4.559 1.00 1.07 C ATOM 524 NZ LYS A 41 -15.057 -7.218 -4.488 1.00 1.29 N ATOM 0 H LYS A 41 -10.313 -11.211 0.034 1.00 0.72 H new ATOM 0 HA LYS A 41 -10.040 -11.133 -2.909 1.00 0.69 H new ATOM 0 HB2 LYS A 41 -12.462 -11.060 -2.131 1.00 0.68 H new ATOM 0 HB3 LYS A 41 -12.077 -9.600 -1.240 1.00 0.68 H new ATOM 0 HG2 LYS A 41 -11.343 -8.556 -3.437 1.00 0.77 H new ATOM 0 HG3 LYS A 41 -11.964 -9.978 -4.251 1.00 0.77 H new ATOM 0 HD2 LYS A 41 -14.215 -9.563 -3.299 1.00 0.88 H new ATOM 0 HD3 LYS A 41 -13.604 -8.166 -2.435 1.00 0.88 H new ATOM 0 HE2 LYS A 41 -12.946 -7.144 -4.644 1.00 1.07 H new ATOM 0 HE3 LYS A 41 -13.686 -8.509 -5.458 1.00 1.07 H new ATOM 0 HZ1 LYS A 41 -15.195 -6.635 -5.338 1.00 1.29 H new ATOM 0 HZ2 LYS A 41 -15.810 -7.934 -4.432 1.00 1.29 H new ATOM 0 HZ3 LYS A 41 -15.092 -6.612 -3.644 1.00 1.29 H new ATOM 538 N VAL A 42 -8.976 -8.829 -2.811 1.00 0.67 N ATOM 539 CA VAL A 42 -8.108 -7.661 -2.707 1.00 0.68 C ATOM 540 C VAL A 42 -8.928 -6.404 -2.405 1.00 0.67 C ATOM 541 O VAL A 42 -9.986 -6.182 -2.997 1.00 0.75 O ATOM 542 CB VAL A 42 -7.276 -7.450 -3.994 1.00 0.74 C ATOM 543 CG1 VAL A 42 -6.311 -8.608 -4.196 1.00 0.80 C ATOM 544 CG2 VAL A 42 -8.177 -7.293 -5.211 1.00 0.83 C ATOM 0 H VAL A 42 -9.181 -9.116 -3.768 1.00 0.67 H new ATOM 0 HA VAL A 42 -7.417 -7.844 -1.884 1.00 0.68 H new ATOM 0 HB VAL A 42 -6.703 -6.530 -3.878 1.00 0.74 H new ATOM 0 HG11 VAL A 42 -5.733 -8.445 -5.105 1.00 0.80 H new ATOM 0 HG12 VAL A 42 -5.635 -8.672 -3.343 1.00 0.80 H new ATOM 0 HG13 VAL A 42 -6.872 -9.538 -4.285 1.00 0.80 H new ATOM 0 HG21 VAL A 42 -7.565 -7.146 -6.101 1.00 0.83 H new ATOM 0 HG22 VAL A 42 -8.784 -8.190 -5.332 1.00 0.83 H new ATOM 0 HG23 VAL A 42 -8.828 -6.430 -5.073 1.00 0.83 H new ATOM 554 N GLU A 43 -8.447 -5.592 -1.466 1.00 0.60 N ATOM 555 CA GLU A 43 -9.150 -4.369 -1.082 1.00 0.59 C ATOM 556 C GLU A 43 -8.173 -3.201 -1.007 1.00 0.58 C ATOM 557 O GLU A 43 -7.121 -3.300 -0.374 1.00 0.63 O ATOM 558 CB GLU A 43 -9.857 -4.563 0.265 1.00 0.60 C ATOM 559 CG GLU A 43 -10.670 -5.847 0.335 1.00 0.66 C ATOM 560 CD GLU A 43 -11.434 -6.005 1.627 1.00 0.70 C ATOM 561 OE1 GLU A 43 -10.807 -5.958 2.703 1.00 0.75 O ATOM 562 OE2 GLU A 43 -12.663 -6.192 1.561 1.00 0.79 O ATOM 0 H GLU A 43 -7.578 -5.757 -0.959 1.00 0.60 H new ATOM 0 HA GLU A 43 -9.902 -4.145 -1.839 1.00 0.59 H new ATOM 0 HB2 GLU A 43 -9.113 -4.568 1.061 1.00 0.60 H new ATOM 0 HB3 GLU A 43 -10.515 -3.713 0.449 1.00 0.60 H new ATOM 0 HG2 GLU A 43 -11.372 -5.869 -0.498 1.00 0.66 H new ATOM 0 HG3 GLU A 43 -10.001 -6.699 0.211 1.00 0.66 H new ATOM 569 N VAL A 44 -8.523 -2.093 -1.657 1.00 0.55 N ATOM 570 CA VAL A 44 -7.657 -0.921 -1.673 1.00 0.56 C ATOM 571 C VAL A 44 -8.121 0.150 -0.685 1.00 0.54 C ATOM 572 O VAL A 44 -9.119 0.836 -0.899 1.00 0.57 O ATOM 573 CB VAL A 44 -7.536 -0.301 -3.085 1.00 0.60 C ATOM 574 CG1 VAL A 44 -6.516 -1.059 -3.920 1.00 0.66 C ATOM 575 CG2 VAL A 44 -8.881 -0.279 -3.791 1.00 0.64 C ATOM 0 H VAL A 44 -9.395 -1.984 -2.176 1.00 0.55 H new ATOM 0 HA VAL A 44 -6.674 -1.277 -1.366 1.00 0.56 H new ATOM 0 HB VAL A 44 -7.196 0.728 -2.968 1.00 0.60 H new ATOM 0 HG11 VAL A 44 -6.447 -0.606 -4.909 1.00 0.66 H new ATOM 0 HG12 VAL A 44 -5.542 -1.016 -3.432 1.00 0.66 H new ATOM 0 HG13 VAL A 44 -6.827 -2.099 -4.018 1.00 0.66 H new ATOM 0 HG21 VAL A 44 -8.765 0.162 -4.781 1.00 0.64 H new ATOM 0 HG22 VAL A 44 -9.257 -1.297 -3.889 1.00 0.64 H new ATOM 0 HG23 VAL A 44 -9.587 0.314 -3.210 1.00 0.64 H new ATOM 585 N VAL A 45 -7.387 0.257 0.411 1.00 0.51 N ATOM 586 CA VAL A 45 -7.661 1.259 1.464 1.00 0.50 C ATOM 587 C VAL A 45 -6.835 2.543 1.227 1.00 0.51 C ATOM 588 O VAL A 45 -5.816 2.557 0.536 1.00 0.54 O ATOM 589 CB VAL A 45 -7.487 0.684 2.889 1.00 0.51 C ATOM 590 CG1 VAL A 45 -7.848 -0.783 2.972 1.00 0.69 C ATOM 591 CG2 VAL A 45 -6.069 0.622 3.408 1.00 0.67 C ATOM 0 H VAL A 45 -6.584 -0.340 0.608 1.00 0.51 H new ATOM 0 HA VAL A 45 -8.713 1.535 1.393 1.00 0.50 H new ATOM 0 HB VAL A 45 -8.119 1.371 3.452 1.00 0.51 H new ATOM 0 HG11 VAL A 45 -7.708 -1.135 3.994 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -8.890 -0.918 2.682 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.207 -1.354 2.300 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -6.068 0.203 4.414 1.00 0.67 H new ATOM 0 HG22 VAL A 45 -5.469 -0.008 2.752 1.00 0.67 H new ATOM 0 HG23 VAL A 45 -5.646 1.626 3.433 1.00 0.67 H new ATOM 601 N ALA A 46 -7.390 3.656 1.668 1.00 0.52 N ATOM 602 CA ALA A 46 -6.741 4.976 1.528 1.00 0.54 C ATOM 603 C ALA A 46 -6.942 5.827 2.784 1.00 0.55 C ATOM 604 O ALA A 46 -7.898 5.626 3.540 1.00 0.55 O ATOM 605 CB ALA A 46 -7.299 5.703 0.300 1.00 0.58 C ATOM 0 H ALA A 46 -8.297 3.687 2.133 1.00 0.52 H new ATOM 0 HA ALA A 46 -5.670 4.819 1.397 1.00 0.54 H new ATOM 0 HB1 ALA A 46 -6.816 6.675 0.202 1.00 0.58 H new ATOM 0 HB2 ALA A 46 -7.104 5.110 -0.594 1.00 0.58 H new ATOM 0 HB3 ALA A 46 -8.374 5.841 0.416 1.00 0.58 H new ATOM 611 N SER A 47 -6.001 6.736 3.004 1.00 0.57 N ATOM 612 CA SER A 47 -6.061 7.691 4.125 1.00 0.60 C ATOM 613 C SER A 47 -5.977 9.128 3.607 1.00 0.64 C ATOM 614 O SER A 47 -5.123 9.477 2.782 1.00 0.65 O ATOM 615 CB SER A 47 -4.925 7.460 5.120 1.00 0.63 C ATOM 616 OG SER A 47 -4.933 6.100 5.562 1.00 0.62 O ATOM 0 H SER A 47 -5.173 6.840 2.417 1.00 0.57 H new ATOM 0 HA SER A 47 -7.012 7.532 4.633 1.00 0.60 H new ATOM 0 HB2 SER A 47 -3.968 7.694 4.653 1.00 0.63 H new ATOM 0 HB3 SER A 47 -5.036 8.129 5.973 1.00 0.63 H new ATOM 0 HG SER A 47 -4.201 5.959 6.198 1.00 0.62 H new ATOM 622 N LEU A 48 -6.868 9.967 4.126 1.00 0.66 N ATOM 623 CA LEU A 48 -6.922 11.375 3.748 1.00 0.71 C ATOM 624 C LEU A 48 -5.835 12.171 4.464 1.00 0.74 C ATOM 625 O LEU A 48 -5.196 11.673 5.392 1.00 0.74 O ATOM 626 CB LEU A 48 -8.298 11.965 4.083 1.00 0.72 C ATOM 627 CG LEU A 48 -9.431 11.589 3.122 1.00 0.74 C ATOM 628 CD1 LEU A 48 -9.949 10.187 3.411 1.00 0.72 C ATOM 629 CD2 LEU A 48 -10.562 12.603 3.216 1.00 0.79 C ATOM 0 H LEU A 48 -7.568 9.693 4.815 1.00 0.66 H new ATOM 0 HA LEU A 48 -6.755 11.442 2.673 1.00 0.71 H new ATOM 0 HB2 LEU A 48 -8.576 11.645 5.087 1.00 0.72 H new ATOM 0 HB3 LEU A 48 -8.212 13.051 4.107 1.00 0.72 H new ATOM 0 HG LEU A 48 -9.034 11.600 2.107 1.00 0.74 H new ATOM 0 HD11 LEU A 48 -10.752 9.945 2.715 1.00 0.72 H new ATOM 0 HD12 LEU A 48 -9.138 9.468 3.293 1.00 0.72 H new ATOM 0 HD13 LEU A 48 -10.328 10.142 4.432 1.00 0.72 H new ATOM 0 HD21 LEU A 48 -11.360 12.323 2.528 1.00 0.79 H new ATOM 0 HD22 LEU A 48 -10.951 12.621 4.234 1.00 0.79 H new ATOM 0 HD23 LEU A 48 -10.187 13.592 2.953 1.00 0.79 H new ATOM 641 N LYS A 49 -5.637 13.415 4.033 1.00 0.80 N ATOM 642 CA LYS A 49 -4.631 14.284 4.635 1.00 0.86 C ATOM 643 C LYS A 49 -5.126 14.847 5.970 1.00 0.87 C ATOM 644 O LYS A 49 -4.335 15.310 6.795 1.00 0.93 O ATOM 645 CB LYS A 49 -4.277 15.426 3.674 1.00 0.94 C ATOM 646 CG LYS A 49 -3.057 16.236 4.096 1.00 1.01 C ATOM 647 CD LYS A 49 -1.794 15.387 4.118 1.00 1.07 C ATOM 648 CE LYS A 49 -0.590 16.187 4.591 1.00 1.20 C ATOM 649 NZ LYS A 49 -0.773 16.700 5.977 1.00 1.23 N ATOM 0 H LYS A 49 -6.160 13.843 3.269 1.00 0.80 H new ATOM 0 HA LYS A 49 -3.736 13.692 4.826 1.00 0.86 H new ATOM 0 HB2 LYS A 49 -4.099 15.010 2.682 1.00 0.94 H new ATOM 0 HB3 LYS A 49 -5.133 16.095 3.590 1.00 0.94 H new ATOM 0 HG2 LYS A 49 -2.921 17.072 3.410 1.00 1.01 H new ATOM 0 HG3 LYS A 49 -3.227 16.660 5.086 1.00 1.01 H new ATOM 0 HD2 LYS A 49 -1.943 14.530 4.774 1.00 1.07 H new ATOM 0 HD3 LYS A 49 -1.601 14.994 3.120 1.00 1.07 H new ATOM 0 HE2 LYS A 49 0.301 15.560 4.551 1.00 1.20 H new ATOM 0 HE3 LYS A 49 -0.422 17.024 3.913 1.00 1.20 H new ATOM 0 HZ1 LYS A 49 0.144 17.013 6.355 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 -1.435 17.502 5.966 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 -1.156 15.944 6.579 1.00 1.23 H new ATOM 663 N ASN A 50 -6.440 14.790 6.178 1.00 0.84 N ATOM 664 CA ASN A 50 -7.051 15.287 7.408 1.00 0.88 C ATOM 665 C ASN A 50 -6.827 14.314 8.565 1.00 0.84 C ATOM 666 O ASN A 50 -6.749 14.722 9.724 1.00 1.01 O ATOM 667 CB ASN A 50 -8.553 15.505 7.204 1.00 0.90 C ATOM 668 CG ASN A 50 -8.854 16.495 6.097 1.00 0.98 C ATOM 669 OD1 ASN A 50 -8.089 17.430 5.856 1.00 1.05 O ATOM 670 ND2 ASN A 50 -9.973 16.295 5.413 1.00 1.01 N ATOM 0 H ASN A 50 -7.104 14.403 5.507 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.578 16.237 7.656 1.00 0.88 H new ATOM 0 HB2 ASN A 50 -9.026 14.551 6.972 1.00 0.90 H new ATOM 0 HB3 ASN A 50 -8.994 15.861 8.135 1.00 0.90 H new ATOM 0 HD21 ASN A 50 -10.227 16.928 4.655 1.00 1.01 H new ATOM 0 HD22 ASN A 50 -10.579 15.508 5.645 1.00 1.01 H new ATOM 677 N GLY A 51 -6.724 13.029 8.237 1.00 0.70 N ATOM 678 CA GLY A 51 -6.515 12.017 9.254 1.00 0.69 C ATOM 679 C GLY A 51 -7.667 11.037 9.335 1.00 0.64 C ATOM 680 O GLY A 51 -8.168 10.745 10.420 1.00 0.69 O ATOM 0 H GLY A 51 -6.782 12.672 7.283 1.00 0.70 H new ATOM 0 HA2 GLY A 51 -5.594 11.475 9.040 1.00 0.69 H new ATOM 0 HA3 GLY A 51 -6.383 12.500 10.222 1.00 0.69 H new ATOM 684 N LYS A 52 -8.093 10.533 8.181 1.00 0.60 N ATOM 685 CA LYS A 52 -9.195 9.578 8.119 1.00 0.57 C ATOM 686 C LYS A 52 -8.856 8.418 7.190 1.00 0.53 C ATOM 687 O LYS A 52 -8.031 8.553 6.293 1.00 0.62 O ATOM 688 CB LYS A 52 -10.475 10.269 7.638 1.00 0.62 C ATOM 689 CG LYS A 52 -11.048 11.266 8.632 1.00 0.70 C ATOM 690 CD LYS A 52 -12.354 11.868 8.137 1.00 0.86 C ATOM 691 CE LYS A 52 -13.476 10.841 8.130 1.00 0.96 C ATOM 692 NZ LYS A 52 -14.761 11.423 7.653 1.00 1.19 N ATOM 0 H LYS A 52 -7.691 10.770 7.274 1.00 0.60 H new ATOM 0 HA LYS A 52 -9.357 9.186 9.123 1.00 0.57 H new ATOM 0 HB2 LYS A 52 -10.267 10.784 6.700 1.00 0.62 H new ATOM 0 HB3 LYS A 52 -11.228 9.510 7.425 1.00 0.62 H new ATOM 0 HG2 LYS A 52 -11.215 10.771 9.588 1.00 0.70 H new ATOM 0 HG3 LYS A 52 -10.324 12.062 8.807 1.00 0.70 H new ATOM 0 HD2 LYS A 52 -12.633 12.708 8.773 1.00 0.86 H new ATOM 0 HD3 LYS A 52 -12.215 12.263 7.131 1.00 0.86 H new ATOM 0 HE2 LYS A 52 -13.197 10.004 7.490 1.00 0.96 H new ATOM 0 HE3 LYS A 52 -13.609 10.443 9.136 1.00 0.96 H new ATOM 0 HZ1 LYS A 52 -15.499 10.690 7.664 1.00 1.19 H new ATOM 0 HZ2 LYS A 52 -15.041 12.206 8.278 1.00 1.19 H new ATOM 0 HZ3 LYS A 52 -14.642 11.780 6.684 1.00 1.19 H new ATOM 706 N GLU A 53 -9.497 7.278 7.417 1.00 0.52 N ATOM 707 CA GLU A 53 -9.270 6.080 6.592 1.00 0.49 C ATOM 708 C GLU A 53 -10.613 5.491 6.143 1.00 0.49 C ATOM 709 O GLU A 53 -11.541 5.322 6.941 1.00 0.51 O ATOM 710 CB GLU A 53 -8.460 5.048 7.388 1.00 0.49 C ATOM 711 CG GLU A 53 -9.241 4.508 8.593 1.00 0.63 C ATOM 712 CD GLU A 53 -8.396 3.661 9.529 1.00 0.63 C ATOM 713 OE1 GLU A 53 -7.417 4.229 10.058 1.00 0.64 O ATOM 714 OE2 GLU A 53 -8.800 2.499 9.751 1.00 0.69 O ATOM 0 H GLU A 53 -10.180 7.150 8.164 1.00 0.52 H new ATOM 0 HA GLU A 53 -8.702 6.355 5.703 1.00 0.49 H new ATOM 0 HB2 GLU A 53 -8.185 4.220 6.734 1.00 0.49 H new ATOM 0 HB3 GLU A 53 -7.532 5.504 7.733 1.00 0.49 H new ATOM 0 HG2 GLU A 53 -9.659 5.346 9.151 1.00 0.63 H new ATOM 0 HG3 GLU A 53 -10.081 3.913 8.235 1.00 0.63 H new ATOM 721 N ILE A 54 -10.705 5.253 4.856 1.00 0.47 N ATOM 722 CA ILE A 54 -11.918 4.648 4.270 1.00 0.47 C ATOM 723 C ILE A 54 -11.534 3.428 3.421 1.00 0.45 C ATOM 724 O ILE A 54 -10.351 3.128 3.226 1.00 0.43 O ATOM 725 CB ILE A 54 -12.729 5.696 3.484 1.00 0.49 C ATOM 726 CG1 ILE A 54 -11.923 6.244 2.293 1.00 0.48 C ATOM 727 CG2 ILE A 54 -13.244 6.796 4.432 1.00 0.53 C ATOM 728 CD1 ILE A 54 -12.710 7.161 1.352 1.00 0.51 C ATOM 0 H ILE A 54 -9.968 5.461 4.182 1.00 0.47 H new ATOM 0 HA ILE A 54 -12.571 4.295 5.068 1.00 0.47 H new ATOM 0 HB ILE A 54 -13.608 5.217 3.052 1.00 0.49 H new ATOM 0 HG12 ILE A 54 -11.063 6.792 2.676 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.535 5.404 1.718 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.815 7.529 3.862 1.00 0.53 H new ATOM 0 HG22 ILE A 54 -13.884 6.350 5.194 1.00 0.53 H new ATOM 0 HG23 ILE A 54 -12.398 7.288 4.912 1.00 0.53 H new ATOM 0 HD11 ILE A 54 -12.060 7.498 0.544 1.00 0.51 H new ATOM 0 HD12 ILE A 54 -13.555 6.614 0.934 1.00 0.51 H new ATOM 0 HD13 ILE A 54 -13.076 8.025 1.907 1.00 0.51 H new ATOM 740 N CYS A 55 -12.558 2.808 2.858 1.00 0.46 N ATOM 741 CA CYS A 55 -12.390 1.653 1.966 1.00 0.44 C ATOM 742 C CYS A 55 -13.129 1.915 0.662 1.00 0.46 C ATOM 743 O CYS A 55 -14.276 2.351 0.644 1.00 0.49 O ATOM 744 CB CYS A 55 -12.972 0.403 2.613 1.00 0.45 C ATOM 745 SG CYS A 55 -12.023 -0.182 4.061 1.00 0.43 S ATOM 0 H CYS A 55 -13.530 3.084 3.000 1.00 0.46 H new ATOM 0 HA CYS A 55 -11.327 1.504 1.777 1.00 0.44 H new ATOM 0 HB2 CYS A 55 -13.998 0.607 2.920 1.00 0.45 H new ATOM 0 HB3 CYS A 55 -13.014 -0.394 1.871 1.00 0.45 H new ATOM 750 N LEU A 56 -12.468 1.544 -0.411 1.00 0.46 N ATOM 751 CA LEU A 56 -13.011 1.745 -1.751 1.00 0.49 C ATOM 752 C LEU A 56 -13.290 0.376 -2.380 1.00 0.50 C ATOM 753 O LEU A 56 -12.629 -0.621 -2.067 1.00 0.48 O ATOM 754 CB LEU A 56 -11.941 2.577 -2.475 1.00 0.49 C ATOM 755 CG LEU A 56 -11.586 3.951 -1.893 1.00 0.48 C ATOM 756 CD1 LEU A 56 -10.680 4.686 -2.883 1.00 0.49 C ATOM 757 CD2 LEU A 56 -12.818 4.803 -1.577 1.00 0.51 C ATOM 0 H LEU A 56 -11.550 1.099 -0.390 1.00 0.46 H new ATOM 0 HA LEU A 56 -13.964 2.272 -1.790 1.00 0.49 H new ATOM 0 HB2 LEU A 56 -11.027 1.984 -2.515 1.00 0.49 H new ATOM 0 HB3 LEU A 56 -12.271 2.724 -3.503 1.00 0.49 H new ATOM 0 HG LEU A 56 -11.073 3.788 -0.945 1.00 0.48 H new ATOM 0 HD11 LEU A 56 -10.420 5.665 -2.481 1.00 0.49 H new ATOM 0 HD12 LEU A 56 -9.771 4.107 -3.043 1.00 0.49 H new ATOM 0 HD13 LEU A 56 -11.203 4.811 -3.831 1.00 0.49 H new ATOM 0 HD21 LEU A 56 -12.502 5.763 -1.168 1.00 0.51 H new ATOM 0 HD22 LEU A 56 -13.390 4.968 -2.490 1.00 0.51 H new ATOM 0 HD23 LEU A 56 -13.441 4.286 -0.847 1.00 0.51 H new ATOM 769 N ASP A 57 -14.260 0.284 -3.280 1.00 0.53 N ATOM 770 CA ASP A 57 -14.540 -0.998 -3.944 1.00 0.54 C ATOM 771 C ASP A 57 -13.924 -1.027 -5.349 1.00 0.57 C ATOM 772 O ASP A 57 -14.408 -0.338 -6.247 1.00 0.62 O ATOM 773 CB ASP A 57 -16.047 -1.249 -4.043 1.00 0.59 C ATOM 774 CG ASP A 57 -16.406 -2.719 -3.918 1.00 0.60 C ATOM 775 OD1 ASP A 57 -15.736 -3.557 -4.557 1.00 0.62 O ATOM 776 OD2 ASP A 57 -17.362 -3.033 -3.181 1.00 0.67 O ATOM 0 H ASP A 57 -14.858 1.058 -3.568 1.00 0.53 H new ATOM 0 HA ASP A 57 -14.091 -1.786 -3.339 1.00 0.54 H new ATOM 0 HB2 ASP A 57 -16.557 -0.687 -3.261 1.00 0.59 H new ATOM 0 HB3 ASP A 57 -16.412 -0.870 -4.997 1.00 0.59 H new ATOM 781 N PRO A 58 -12.848 -1.834 -5.559 1.00 0.58 N ATOM 782 CA PRO A 58 -12.167 -1.958 -6.870 1.00 0.64 C ATOM 783 C PRO A 58 -13.127 -2.307 -8.008 1.00 0.73 C ATOM 784 O PRO A 58 -12.811 -2.132 -9.186 1.00 0.86 O ATOM 785 CB PRO A 58 -11.179 -3.104 -6.653 1.00 0.68 C ATOM 786 CG PRO A 58 -10.942 -3.153 -5.187 1.00 0.63 C ATOM 787 CD PRO A 58 -12.212 -2.684 -4.532 1.00 0.59 C ATOM 0 HA PRO A 58 -11.703 -1.017 -7.167 1.00 0.64 H new ATOM 0 HB2 PRO A 58 -11.587 -4.047 -7.016 1.00 0.68 H new ATOM 0 HB3 PRO A 58 -10.250 -2.929 -7.195 1.00 0.68 H new ATOM 0 HG2 PRO A 58 -10.692 -4.165 -4.868 1.00 0.63 H new ATOM 0 HG3 PRO A 58 -10.103 -2.515 -4.908 1.00 0.63 H new ATOM 0 HD2 PRO A 58 -12.852 -3.522 -4.255 1.00 0.59 H new ATOM 0 HD3 PRO A 58 -12.008 -2.123 -3.620 1.00 0.59 H new ATOM 795 N GLU A 59 -14.295 -2.801 -7.624 1.00 0.69 N ATOM 796 CA GLU A 59 -15.363 -3.188 -8.554 1.00 0.81 C ATOM 797 C GLU A 59 -15.933 -2.005 -9.367 1.00 0.87 C ATOM 798 O GLU A 59 -16.622 -2.201 -10.368 1.00 0.96 O ATOM 799 CB GLU A 59 -16.471 -3.883 -7.754 1.00 0.84 C ATOM 800 CG GLU A 59 -17.512 -4.517 -8.677 1.00 1.11 C ATOM 801 CD GLU A 59 -18.601 -5.260 -7.912 1.00 1.18 C ATOM 802 OE1 GLU A 59 -19.286 -4.597 -7.101 1.00 1.35 O ATOM 803 OE2 GLU A 59 -18.709 -6.478 -8.159 1.00 1.29 O ATOM 0 H GLU A 59 -14.538 -2.949 -6.644 1.00 0.69 H new ATOM 0 HA GLU A 59 -14.935 -3.865 -9.293 1.00 0.81 H new ATOM 0 HB2 GLU A 59 -16.034 -4.650 -7.115 1.00 0.84 H new ATOM 0 HB3 GLU A 59 -16.956 -3.160 -7.098 1.00 0.84 H new ATOM 0 HG2 GLU A 59 -17.969 -3.740 -9.290 1.00 1.11 H new ATOM 0 HG3 GLU A 59 -17.015 -5.209 -9.357 1.00 1.11 H new ATOM 810 N ALA A 60 -15.666 -0.784 -8.920 1.00 0.84 N ATOM 811 CA ALA A 60 -16.167 0.417 -9.591 1.00 0.92 C ATOM 812 C ALA A 60 -15.067 1.053 -10.466 1.00 0.95 C ATOM 813 O ALA A 60 -13.951 1.277 -9.989 1.00 0.92 O ATOM 814 CB ALA A 60 -16.667 1.378 -8.517 1.00 0.91 C ATOM 0 H ALA A 60 -15.102 -0.595 -8.091 1.00 0.84 H new ATOM 0 HA ALA A 60 -16.988 0.167 -10.263 1.00 0.92 H new ATOM 0 HB1 ALA A 60 -17.047 2.284 -8.988 1.00 0.91 H new ATOM 0 HB2 ALA A 60 -17.465 0.903 -7.947 1.00 0.91 H new ATOM 0 HB3 ALA A 60 -15.846 1.634 -7.847 1.00 0.91 H new ATOM 820 N PRO A 61 -15.423 1.444 -11.695 1.00 1.04 N ATOM 821 CA PRO A 61 -14.483 2.045 -12.665 1.00 1.08 C ATOM 822 C PRO A 61 -13.941 3.410 -12.220 1.00 1.06 C ATOM 823 O PRO A 61 -12.729 3.620 -12.211 1.00 1.05 O ATOM 824 CB PRO A 61 -15.281 2.147 -13.965 1.00 1.20 C ATOM 825 CG PRO A 61 -16.723 2.313 -13.487 1.00 1.24 C ATOM 826 CD PRO A 61 -16.788 1.406 -12.258 1.00 1.13 C ATOM 0 HA PRO A 61 -13.587 1.433 -12.772 1.00 1.08 H new ATOM 0 HB2 PRO A 61 -14.958 2.995 -14.569 1.00 1.20 H new ATOM 0 HB3 PRO A 61 -15.162 1.255 -14.580 1.00 1.20 H new ATOM 0 HG2 PRO A 61 -16.947 3.350 -13.235 1.00 1.24 H new ATOM 0 HG3 PRO A 61 -17.438 2.009 -14.251 1.00 1.24 H new ATOM 0 HD2 PRO A 61 -17.524 1.765 -11.539 1.00 1.13 H new ATOM 0 HD3 PRO A 61 -17.077 0.391 -12.529 1.00 1.13 H new ATOM 834 N PHE A 62 -14.825 4.247 -11.668 1.00 1.08 N ATOM 835 CA PHE A 62 -14.448 5.571 -11.130 1.00 1.08 C ATOM 836 C PHE A 62 -13.429 5.453 -9.991 1.00 0.97 C ATOM 837 O PHE A 62 -12.591 6.327 -9.791 1.00 0.97 O ATOM 838 CB PHE A 62 -15.674 6.350 -10.641 1.00 1.15 C ATOM 839 CG PHE A 62 -16.385 5.682 -9.462 1.00 1.13 C ATOM 840 CD1 PHE A 62 -15.989 5.968 -8.162 1.00 1.08 C ATOM 841 CD2 PHE A 62 -17.444 4.817 -9.698 1.00 1.18 C ATOM 842 CE1 PHE A 62 -16.656 5.389 -7.093 1.00 1.10 C ATOM 843 CE2 PHE A 62 -18.120 4.251 -8.627 1.00 1.19 C ATOM 844 CZ PHE A 62 -17.720 4.530 -7.330 1.00 1.15 C ATOM 0 H PHE A 62 -15.818 4.034 -11.579 1.00 1.08 H new ATOM 0 HA PHE A 62 -13.988 6.118 -11.953 1.00 1.08 H new ATOM 0 HB2 PHE A 62 -15.365 7.354 -10.349 1.00 1.15 H new ATOM 0 HB3 PHE A 62 -16.378 6.461 -11.466 1.00 1.15 H new ATOM 0 HD1 PHE A 62 -15.163 6.640 -7.984 1.00 1.08 H new ATOM 0 HD2 PHE A 62 -17.740 4.586 -10.710 1.00 1.18 H new ATOM 0 HE1 PHE A 62 -16.349 5.606 -6.080 1.00 1.10 H new ATOM 0 HE2 PHE A 62 -18.958 3.593 -8.804 1.00 1.19 H new ATOM 0 HZ PHE A 62 -18.239 4.076 -6.499 1.00 1.15 H new ATOM 854 N LEU A 63 -13.435 4.301 -9.362 1.00 0.89 N ATOM 855 CA LEU A 63 -12.505 4.010 -8.306 1.00 0.79 C ATOM 856 C LEU A 63 -11.102 3.872 -8.873 1.00 0.80 C ATOM 857 O LEU A 63 -10.144 4.360 -8.289 1.00 0.80 O ATOM 858 CB LEU A 63 -12.902 2.720 -7.636 1.00 0.72 C ATOM 859 CG LEU A 63 -12.655 2.683 -6.148 1.00 0.64 C ATOM 860 CD1 LEU A 63 -13.988 2.658 -5.451 1.00 0.60 C ATOM 861 CD2 LEU A 63 -11.796 1.479 -5.777 1.00 0.63 C ATOM 0 H LEU A 63 -14.085 3.543 -9.570 1.00 0.89 H new ATOM 0 HA LEU A 63 -12.519 4.824 -7.581 1.00 0.79 H new ATOM 0 HB2 LEU A 63 -13.961 2.542 -7.820 1.00 0.72 H new ATOM 0 HB3 LEU A 63 -12.355 1.900 -8.102 1.00 0.72 H new ATOM 0 HG LEU A 63 -12.104 3.569 -5.831 1.00 0.64 H new ATOM 0 HD11 LEU A 63 -13.834 2.631 -4.372 1.00 0.60 H new ATOM 0 HD12 LEU A 63 -14.553 3.552 -5.715 1.00 0.60 H new ATOM 0 HD13 LEU A 63 -14.544 1.773 -5.760 1.00 0.60 H new ATOM 0 HD21 LEU A 63 -11.629 1.469 -4.700 1.00 0.63 H new ATOM 0 HD22 LEU A 63 -12.307 0.563 -6.073 1.00 0.63 H new ATOM 0 HD23 LEU A 63 -10.838 1.543 -6.292 1.00 0.63 H new ATOM 873 N LYS A 64 -11.007 3.217 -10.033 1.00 0.85 N ATOM 874 CA LYS A 64 -9.730 3.000 -10.711 1.00 0.90 C ATOM 875 C LYS A 64 -9.122 4.319 -11.193 1.00 0.94 C ATOM 876 O LYS A 64 -7.943 4.379 -11.528 1.00 0.99 O ATOM 877 CB LYS A 64 -9.928 2.047 -11.893 1.00 1.00 C ATOM 878 CG LYS A 64 -8.629 1.518 -12.483 1.00 1.10 C ATOM 879 CD LYS A 64 -8.851 0.833 -13.827 1.00 1.26 C ATOM 880 CE LYS A 64 -9.236 1.831 -14.908 1.00 1.46 C ATOM 881 NZ LYS A 64 -9.365 1.184 -16.245 1.00 1.71 N ATOM 0 H LYS A 64 -11.810 2.825 -10.525 1.00 0.85 H new ATOM 0 HA LYS A 64 -9.036 2.556 -9.997 1.00 0.90 H new ATOM 0 HB2 LYS A 64 -10.538 1.204 -11.569 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -10.486 2.563 -12.674 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.925 2.341 -12.607 1.00 1.10 H new ATOM 0 HG3 LYS A 64 -8.175 0.813 -11.787 1.00 1.10 H new ATOM 0 HD2 LYS A 64 -7.943 0.308 -14.123 1.00 1.26 H new ATOM 0 HD3 LYS A 64 -9.635 0.082 -13.728 1.00 1.26 H new ATOM 0 HE2 LYS A 64 -10.180 2.307 -14.643 1.00 1.46 H new ATOM 0 HE3 LYS A 64 -8.485 2.619 -14.958 1.00 1.46 H new ATOM 0 HZ1 LYS A 64 -9.628 1.899 -16.953 1.00 1.71 H new ATOM 0 HZ2 LYS A 64 -8.457 0.752 -16.511 1.00 1.71 H new ATOM 0 HZ3 LYS A 64 -10.100 0.449 -16.206 1.00 1.71 H new ATOM 895 N LYS A 65 -9.939 5.368 -11.212 1.00 0.94 N ATOM 896 CA LYS A 65 -9.506 6.711 -11.638 1.00 0.99 C ATOM 897 C LYS A 65 -8.810 7.498 -10.522 1.00 0.96 C ATOM 898 O LYS A 65 -7.631 7.827 -10.636 1.00 1.01 O ATOM 899 CB LYS A 65 -10.711 7.499 -12.134 1.00 1.02 C ATOM 900 CG LYS A 65 -11.311 6.873 -13.392 1.00 1.09 C ATOM 901 CD LYS A 65 -12.447 7.738 -13.945 1.00 1.15 C ATOM 902 CE LYS A 65 -11.963 9.108 -14.443 1.00 1.21 C ATOM 903 NZ LYS A 65 -11.021 8.974 -15.564 1.00 1.29 N ATOM 0 H LYS A 65 -10.919 5.320 -10.935 1.00 0.94 H new ATOM 0 HA LYS A 65 -8.777 6.573 -12.437 1.00 0.99 H new ATOM 0 HB2 LYS A 65 -11.468 7.540 -11.350 1.00 1.02 H new ATOM 0 HB3 LYS A 65 -10.414 8.526 -12.344 1.00 1.02 H new ATOM 0 HG2 LYS A 65 -10.536 6.756 -14.150 1.00 1.09 H new ATOM 0 HG3 LYS A 65 -11.686 5.876 -13.163 1.00 1.09 H new ATOM 0 HD2 LYS A 65 -12.934 7.210 -14.765 1.00 1.15 H new ATOM 0 HD3 LYS A 65 -13.198 7.883 -13.169 1.00 1.15 H new ATOM 0 HE2 LYS A 65 -12.819 9.705 -14.756 1.00 1.21 H new ATOM 0 HE3 LYS A 65 -11.482 9.644 -13.625 1.00 1.21 H new ATOM 0 HZ1 LYS A 65 -10.872 9.904 -16.005 1.00 1.29 H new ATOM 0 HZ2 LYS A 65 -10.113 8.608 -15.213 1.00 1.29 H new ATOM 0 HZ3 LYS A 65 -11.411 8.315 -16.268 1.00 1.29 H new ATOM 917 N VAL A 66 -9.499 7.643 -9.391 1.00 0.90 N ATOM 918 CA VAL A 66 -8.934 8.338 -8.241 1.00 0.88 C ATOM 919 C VAL A 66 -7.685 7.616 -7.711 1.00 0.88 C ATOM 920 O VAL A 66 -6.785 8.256 -7.176 1.00 0.91 O ATOM 921 CB VAL A 66 -9.966 8.512 -7.103 1.00 0.85 C ATOM 922 CG1 VAL A 66 -11.214 9.198 -7.631 1.00 0.87 C ATOM 923 CG2 VAL A 66 -10.320 7.179 -6.458 1.00 0.85 C ATOM 0 H VAL A 66 -10.445 7.289 -9.249 1.00 0.90 H new ATOM 0 HA VAL A 66 -8.646 9.330 -8.588 1.00 0.88 H new ATOM 0 HB VAL A 66 -9.515 9.138 -6.333 1.00 0.85 H new ATOM 0 HG11 VAL A 66 -11.935 9.316 -6.822 1.00 0.87 H new ATOM 0 HG12 VAL A 66 -10.950 10.178 -8.027 1.00 0.87 H new ATOM 0 HG13 VAL A 66 -11.654 8.593 -8.423 1.00 0.87 H new ATOM 0 HG21 VAL A 66 -11.048 7.341 -5.663 1.00 0.85 H new ATOM 0 HG22 VAL A 66 -10.745 6.513 -7.209 1.00 0.85 H new ATOM 0 HG23 VAL A 66 -9.421 6.727 -6.040 1.00 0.85 H new ATOM 933 N ILE A 67 -7.623 6.282 -7.871 1.00 0.88 N ATOM 934 CA ILE A 67 -6.451 5.525 -7.421 1.00 0.91 C ATOM 935 C ILE A 67 -5.365 5.550 -8.493 1.00 0.98 C ATOM 936 O ILE A 67 -4.195 5.314 -8.207 1.00 1.05 O ATOM 937 CB ILE A 67 -6.762 4.057 -7.027 1.00 0.92 C ATOM 938 CG1 ILE A 67 -7.137 3.217 -8.255 1.00 0.93 C ATOM 939 CG2 ILE A 67 -7.859 4.011 -5.972 1.00 0.89 C ATOM 940 CD1 ILE A 67 -7.171 1.725 -7.991 1.00 1.00 C ATOM 0 H ILE A 67 -8.357 5.719 -8.300 1.00 0.88 H new ATOM 0 HA ILE A 67 -6.105 6.021 -6.514 1.00 0.91 H new ATOM 0 HB ILE A 67 -5.859 3.621 -6.600 1.00 0.92 H new ATOM 0 HG12 ILE A 67 -8.115 3.535 -8.615 1.00 0.93 H new ATOM 0 HG13 ILE A 67 -6.422 3.419 -9.053 1.00 0.93 H new ATOM 0 HG21 ILE A 67 -8.065 2.974 -5.707 1.00 0.89 H new ATOM 0 HG22 ILE A 67 -7.534 4.555 -5.085 1.00 0.89 H new ATOM 0 HG23 ILE A 67 -8.764 4.471 -6.368 1.00 0.89 H new ATOM 0 HD11 ILE A 67 -7.444 1.200 -8.906 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -6.187 1.391 -7.660 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -7.907 1.509 -7.216 1.00 1.00 H new ATOM 952 N GLN A 68 -5.761 5.808 -9.739 1.00 0.99 N ATOM 953 CA GLN A 68 -4.781 5.923 -10.832 1.00 1.08 C ATOM 954 C GLN A 68 -4.031 7.262 -10.744 1.00 1.06 C ATOM 955 O GLN A 68 -2.805 7.300 -10.846 1.00 1.09 O ATOM 956 CB GLN A 68 -5.494 5.814 -12.173 1.00 1.16 C ATOM 957 CG GLN A 68 -4.488 5.736 -13.314 1.00 1.27 C ATOM 958 CD GLN A 68 -5.212 5.598 -14.647 1.00 1.37 C ATOM 959 OE1 GLN A 68 -6.071 6.375 -15.034 1.00 1.41 O ATOM 960 NE2 GLN A 68 -4.809 4.587 -15.381 1.00 1.52 N ATOM 0 H GLN A 68 -6.733 5.940 -10.019 1.00 0.99 H new ATOM 0 HA GLN A 68 -4.056 5.114 -10.741 1.00 1.08 H new ATOM 0 HB2 GLN A 68 -6.130 4.929 -12.181 1.00 1.16 H new ATOM 0 HB3 GLN A 68 -6.146 6.676 -12.315 1.00 1.16 H new ATOM 0 HG2 GLN A 68 -3.866 6.631 -13.321 1.00 1.27 H new ATOM 0 HG3 GLN A 68 -3.822 4.886 -13.164 1.00 1.27 H new ATOM 0 HE21 GLN A 68 -4.089 3.956 -15.029 1.00 1.52 H new ATOM 0 HE22 GLN A 68 -5.216 4.433 -16.304 1.00 1.52 H new ATOM 969 N LYS A 69 -4.775 8.336 -10.476 1.00 1.05 N ATOM 970 CA LYS A 69 -4.206 9.683 -10.374 1.00 1.06 C ATOM 971 C LYS A 69 -3.212 9.831 -9.216 1.00 1.08 C ATOM 972 O LYS A 69 -2.324 10.680 -9.272 1.00 1.15 O ATOM 973 CB LYS A 69 -5.322 10.717 -10.210 1.00 1.03 C ATOM 974 CG LYS A 69 -6.040 11.060 -11.504 1.00 1.10 C ATOM 975 CD LYS A 69 -7.073 12.155 -11.285 1.00 1.19 C ATOM 976 CE LYS A 69 -7.637 12.666 -12.600 1.00 1.38 C ATOM 977 NZ LYS A 69 -8.612 13.773 -12.392 1.00 1.58 N ATOM 0 H LYS A 69 -5.783 8.299 -10.324 1.00 1.05 H new ATOM 0 HA LYS A 69 -3.658 9.854 -11.300 1.00 1.06 H new ATOM 0 HB2 LYS A 69 -6.050 10.340 -9.491 1.00 1.03 H new ATOM 0 HB3 LYS A 69 -4.900 11.629 -9.788 1.00 1.03 H new ATOM 0 HG2 LYS A 69 -5.315 11.384 -12.251 1.00 1.10 H new ATOM 0 HG3 LYS A 69 -6.528 10.169 -11.899 1.00 1.10 H new ATOM 0 HD2 LYS A 69 -7.884 11.772 -10.666 1.00 1.19 H new ATOM 0 HD3 LYS A 69 -6.618 12.981 -10.739 1.00 1.19 H new ATOM 0 HE2 LYS A 69 -6.822 13.014 -13.234 1.00 1.38 H new ATOM 0 HE3 LYS A 69 -8.125 11.847 -13.129 1.00 1.38 H new ATOM 0 HZ1 LYS A 69 -8.974 14.094 -13.312 1.00 1.58 H new ATOM 0 HZ2 LYS A 69 -9.403 13.434 -11.808 1.00 1.58 H new ATOM 0 HZ3 LYS A 69 -8.141 14.565 -11.910 1.00 1.58 H new ATOM 991 N ILE A 70 -3.358 9.022 -8.166 1.00 1.07 N ATOM 992 CA ILE A 70 -2.453 9.109 -7.016 1.00 1.12 C ATOM 993 C ILE A 70 -1.207 8.243 -7.205 1.00 1.25 C ATOM 994 O ILE A 70 -0.311 8.237 -6.360 1.00 1.37 O ATOM 995 CB ILE A 70 -3.151 8.723 -5.693 1.00 1.09 C ATOM 996 CG1 ILE A 70 -3.736 7.311 -5.781 1.00 1.09 C ATOM 997 CG2 ILE A 70 -4.236 9.735 -5.352 1.00 1.14 C ATOM 998 CD1 ILE A 70 -4.527 6.901 -4.554 1.00 1.19 C ATOM 0 H ILE A 70 -4.083 8.309 -8.086 1.00 1.07 H new ATOM 0 HA ILE A 70 -2.149 10.154 -6.954 1.00 1.12 H new ATOM 0 HB ILE A 70 -2.408 8.732 -4.896 1.00 1.09 H new ATOM 0 HG12 ILE A 70 -4.382 7.249 -6.656 1.00 1.09 H new ATOM 0 HG13 ILE A 70 -2.924 6.600 -5.933 1.00 1.09 H new ATOM 0 HG21 ILE A 70 -4.719 9.450 -4.417 1.00 1.14 H new ATOM 0 HG22 ILE A 70 -3.790 10.724 -5.243 1.00 1.14 H new ATOM 0 HG23 ILE A 70 -4.977 9.757 -6.151 1.00 1.14 H new ATOM 0 HD11 ILE A 70 -4.910 5.890 -4.689 1.00 1.19 H new ATOM 0 HD12 ILE A 70 -3.880 6.930 -3.678 1.00 1.19 H new ATOM 0 HD13 ILE A 70 -5.361 7.589 -4.412 1.00 1.19 H new ATOM 1122 N LEU B 8 7.769 21.106 15.450 1.00 0.80 N ATOM 1123 CA LEU B 8 8.292 21.621 14.165 1.00 0.77 C ATOM 1124 C LEU B 8 9.773 22.036 14.322 1.00 0.77 C ATOM 1125 O LEU B 8 10.117 23.165 14.663 1.00 0.79 O ATOM 1126 CB LEU B 8 7.408 22.787 13.688 1.00 0.78 C ATOM 1127 CG LEU B 8 7.720 23.334 12.281 1.00 0.76 C ATOM 1128 CD1 LEU B 8 6.474 24.025 11.732 1.00 0.77 C ATOM 1129 CD2 LEU B 8 8.836 24.384 12.266 1.00 0.77 C ATOM 0 HA LEU B 8 8.257 20.840 13.405 1.00 0.77 H new ATOM 0 HB2 LEU B 8 6.368 22.461 13.708 1.00 0.78 H new ATOM 0 HB3 LEU B 8 7.500 23.604 14.403 1.00 0.78 H new ATOM 0 HG LEU B 8 8.037 22.477 11.686 1.00 0.76 H new ATOM 0 HD11 LEU B 8 6.684 24.416 10.736 1.00 0.77 H new ATOM 0 HD12 LEU B 8 5.655 23.308 11.675 1.00 0.77 H new ATOM 0 HD13 LEU B 8 6.192 24.845 12.392 1.00 0.77 H new ATOM 0 HD21 LEU B 8 9.002 24.724 11.244 1.00 0.77 H new ATOM 0 HD22 LEU B 8 8.547 25.231 12.888 1.00 0.77 H new ATOM 0 HD23 LEU B 8 9.754 23.945 12.656 1.00 0.77 H new ATOM 1141 N ARG B 9 10.611 21.010 14.294 1.00 0.75 N ATOM 1142 CA ARG B 9 12.066 21.200 14.432 1.00 0.75 C ATOM 1143 C ARG B 9 12.832 20.437 13.351 1.00 0.72 C ATOM 1144 O ARG B 9 13.458 21.035 12.483 1.00 0.71 O ATOM 1145 CB ARG B 9 12.552 20.880 15.857 1.00 0.79 C ATOM 1146 CG ARG B 9 12.231 19.459 16.331 1.00 0.79 C ATOM 1147 CD ARG B 9 12.914 19.134 17.655 1.00 0.82 C ATOM 1148 NE ARG B 9 12.645 17.729 18.011 1.00 0.82 N ATOM 1149 CZ ARG B 9 11.505 17.230 18.493 1.00 0.83 C ATOM 1150 NH1 ARG B 9 10.438 17.995 18.701 1.00 0.85 N ATOM 1151 NH2 ARG B 9 11.432 15.945 18.818 1.00 0.84 N ATOM 0 H ARG B 9 10.321 20.039 14.178 1.00 0.75 H new ATOM 0 HA ARG B 9 12.282 22.257 14.274 1.00 0.75 H new ATOM 0 HB2 ARG B 9 13.631 21.030 15.902 1.00 0.79 H new ATOM 0 HB3 ARG B 9 12.102 21.591 16.550 1.00 0.79 H new ATOM 0 HG2 ARG B 9 11.152 19.348 16.442 1.00 0.79 H new ATOM 0 HG3 ARG B 9 12.549 18.743 15.573 1.00 0.79 H new ATOM 0 HD2 ARG B 9 13.988 19.301 17.574 1.00 0.82 H new ATOM 0 HD3 ARG B 9 12.547 19.796 18.439 1.00 0.82 H new ATOM 0 HE ARG B 9 13.411 17.069 17.875 1.00 0.82 H new ATOM 0 HH11 ARG B 9 10.477 18.992 18.491 1.00 0.85 H new ATOM 0 HH12 ARG B 9 9.580 17.585 19.070 1.00 0.85 H new ATOM 0 HH21 ARG B 9 12.246 15.342 18.699 1.00 0.84 H new ATOM 0 HH22 ARG B 9 10.562 15.561 19.187 1.00 0.84 H new ATOM 1165 N GLU B 10 12.728 19.105 13.403 1.00 0.71 N ATOM 1166 CA GLU B 10 13.489 18.190 12.544 1.00 0.68 C ATOM 1167 C GLU B 10 12.721 16.885 12.339 1.00 0.66 C ATOM 1168 O GLU B 10 12.373 16.195 13.300 1.00 0.68 O ATOM 1169 CB GLU B 10 14.839 17.863 13.190 1.00 0.70 C ATOM 1170 CG GLU B 10 15.756 19.087 13.300 1.00 0.72 C ATOM 1171 CD GLU B 10 17.131 18.771 13.885 1.00 0.75 C ATOM 1172 OE1 GLU B 10 17.583 17.616 13.721 1.00 0.74 O ATOM 1173 OE2 GLU B 10 17.716 19.707 14.474 1.00 0.77 O ATOM 0 H GLU B 10 12.104 18.625 14.052 1.00 0.71 H new ATOM 0 HA GLU B 10 13.643 18.679 11.582 1.00 0.68 H new ATOM 0 HB2 GLU B 10 14.670 17.450 14.185 1.00 0.70 H new ATOM 0 HB3 GLU B 10 15.339 17.091 12.605 1.00 0.70 H new ATOM 0 HG2 GLU B 10 15.884 19.525 12.310 1.00 0.72 H new ATOM 0 HG3 GLU B 10 15.270 19.840 13.921 1.00 0.72 H new ATOM 1180 N LEU B 11 12.344 16.675 11.091 1.00 0.63 N ATOM 1181 CA LEU B 11 11.612 15.469 10.671 1.00 0.61 C ATOM 1182 C LEU B 11 12.338 14.787 9.511 1.00 0.58 C ATOM 1183 O LEU B 11 12.848 15.446 8.603 1.00 0.57 O ATOM 1184 CB LEU B 11 10.195 15.856 10.250 1.00 0.60 C ATOM 1185 CG LEU B 11 9.401 16.431 11.423 1.00 0.64 C ATOM 1186 CD1 LEU B 11 8.848 17.808 11.054 1.00 0.65 C ATOM 1187 CD2 LEU B 11 8.283 15.474 11.830 1.00 0.64 C ATOM 0 H LEU B 11 12.531 17.329 10.331 1.00 0.63 H new ATOM 0 HA LEU B 11 11.562 14.770 11.506 1.00 0.61 H new ATOM 0 HB2 LEU B 11 10.241 16.590 9.445 1.00 0.60 H new ATOM 0 HB3 LEU B 11 9.680 14.981 9.854 1.00 0.60 H new ATOM 0 HG LEU B 11 10.064 16.549 12.280 1.00 0.64 H new ATOM 0 HD11 LEU B 11 8.284 18.211 11.895 1.00 0.65 H new ATOM 0 HD12 LEU B 11 9.673 18.479 10.816 1.00 0.65 H new ATOM 0 HD13 LEU B 11 8.193 17.717 10.188 1.00 0.65 H new ATOM 0 HD21 LEU B 11 7.727 15.898 12.666 1.00 0.64 H new ATOM 0 HD22 LEU B 11 7.609 15.322 10.987 1.00 0.64 H new ATOM 0 HD23 LEU B 11 8.713 14.518 12.128 1.00 0.64 H new ATOM 1199 N ARG B 12 12.347 13.469 9.584 1.00 0.57 N ATOM 1200 CA ARG B 12 13.067 12.624 8.611 1.00 0.55 C ATOM 1201 C ARG B 12 12.041 11.966 7.693 1.00 0.52 C ATOM 1202 O ARG B 12 10.934 11.637 8.127 1.00 0.52 O ATOM 1203 CB ARG B 12 13.856 11.533 9.356 1.00 0.57 C ATOM 1204 CG ARG B 12 14.633 12.020 10.590 1.00 0.60 C ATOM 1205 CD ARG B 12 15.498 13.237 10.256 1.00 0.61 C ATOM 1206 NE ARG B 12 16.343 13.622 11.386 1.00 0.65 N ATOM 1207 CZ ARG B 12 17.651 13.417 11.363 1.00 0.67 C ATOM 1208 NH1 ARG B 12 18.152 12.227 11.661 1.00 0.68 N ATOM 1209 NH2 ARG B 12 18.464 14.433 11.131 1.00 0.68 N ATOM 0 H ARG B 12 11.862 12.943 10.311 1.00 0.57 H new ATOM 0 HA ARG B 12 13.761 13.232 8.031 1.00 0.55 H new ATOM 0 HB2 ARG B 12 13.162 10.752 9.667 1.00 0.57 H new ATOM 0 HB3 ARG B 12 14.559 11.075 8.660 1.00 0.57 H new ATOM 0 HG2 ARG B 12 13.933 12.276 11.386 1.00 0.60 H new ATOM 0 HG3 ARG B 12 15.264 11.215 10.967 1.00 0.60 H new ATOM 0 HD2 ARG B 12 16.124 13.013 9.392 1.00 0.61 H new ATOM 0 HD3 ARG B 12 14.858 14.074 9.978 1.00 0.61 H new ATOM 0 HE ARG B 12 15.918 14.056 12.205 1.00 0.65 H new ATOM 0 HH11 ARG B 12 17.529 11.459 11.911 1.00 0.68 H new ATOM 0 HH12 ARG B 12 19.161 12.079 11.641 1.00 0.68 H new ATOM 0 HH21 ARG B 12 18.082 15.365 10.972 1.00 0.68 H new ATOM 0 HH22 ARG B 12 19.473 14.285 11.111 1.00 0.68 H new ATOM 1223 N CYS B 13 12.424 11.770 6.435 1.00 0.50 N ATOM 1224 CA CYS B 13 11.595 11.009 5.484 1.00 0.48 C ATOM 1225 C CYS B 13 11.276 9.620 6.062 1.00 0.48 C ATOM 1226 O CYS B 13 12.047 9.073 6.850 1.00 0.49 O ATOM 1227 CB CYS B 13 12.351 10.853 4.166 1.00 0.47 C ATOM 1228 SG CYS B 13 12.388 12.363 3.131 1.00 0.48 S ATOM 0 H CYS B 13 13.298 12.123 6.044 1.00 0.50 H new ATOM 0 HA CYS B 13 10.662 11.545 5.310 1.00 0.48 H new ATOM 0 HB2 CYS B 13 13.376 10.551 4.383 1.00 0.47 H new ATOM 0 HB3 CYS B 13 11.895 10.046 3.593 1.00 0.47 H new ATOM 1233 N VAL B 14 10.128 9.076 5.665 1.00 0.46 N ATOM 1234 CA VAL B 14 9.716 7.720 6.106 1.00 0.46 C ATOM 1235 C VAL B 14 10.741 6.647 5.670 1.00 0.46 C ATOM 1236 O VAL B 14 10.931 5.632 6.331 1.00 0.47 O ATOM 1237 CB VAL B 14 8.264 7.398 5.675 1.00 0.45 C ATOM 1238 CG1 VAL B 14 8.037 7.298 4.164 1.00 0.43 C ATOM 1239 CG2 VAL B 14 7.745 6.118 6.335 1.00 0.46 C ATOM 0 H VAL B 14 9.463 9.538 5.045 1.00 0.46 H new ATOM 0 HA VAL B 14 9.713 7.705 7.196 1.00 0.46 H new ATOM 0 HB VAL B 14 7.701 8.265 6.022 1.00 0.45 H new ATOM 0 HG11 VAL B 14 6.989 7.070 3.968 1.00 0.43 H new ATOM 0 HG12 VAL B 14 8.296 8.247 3.694 1.00 0.43 H new ATOM 0 HG13 VAL B 14 8.664 6.506 3.753 1.00 0.43 H new ATOM 0 HG21 VAL B 14 6.723 5.928 6.006 1.00 0.46 H new ATOM 0 HG22 VAL B 14 8.380 5.279 6.051 1.00 0.46 H new ATOM 0 HG23 VAL B 14 7.762 6.235 7.419 1.00 0.46 H new ATOM 1249 N CYS B 15 11.374 6.919 4.533 1.00 0.45 N ATOM 1250 CA CYS B 15 12.405 6.068 3.924 1.00 0.45 C ATOM 1251 C CYS B 15 13.737 6.803 3.809 1.00 0.47 C ATOM 1252 O CYS B 15 13.883 7.721 3.002 1.00 0.47 O ATOM 1253 CB CYS B 15 11.977 5.657 2.519 1.00 0.43 C ATOM 1254 SG CYS B 15 10.656 4.412 2.522 1.00 0.42 S ATOM 0 H CYS B 15 11.182 7.761 3.990 1.00 0.45 H new ATOM 0 HA CYS B 15 12.526 5.195 4.566 1.00 0.45 H new ATOM 0 HB2 CYS B 15 11.638 6.539 1.975 1.00 0.43 H new ATOM 0 HB3 CYS B 15 12.840 5.263 1.982 1.00 0.43 H new ATOM 1259 N LEU B 16 14.648 6.443 4.704 1.00 0.49 N ATOM 1260 CA LEU B 16 16.022 6.979 4.665 1.00 0.52 C ATOM 1261 C LEU B 16 16.943 6.249 3.674 1.00 0.54 C ATOM 1262 O LEU B 16 17.813 6.860 3.046 1.00 0.55 O ATOM 1263 CB LEU B 16 16.633 6.994 6.069 1.00 0.55 C ATOM 1264 CG LEU B 16 15.912 7.964 7.018 1.00 0.55 C ATOM 1265 CD1 LEU B 16 16.530 7.867 8.414 1.00 0.58 C ATOM 1266 CD2 LEU B 16 15.978 9.414 6.520 1.00 0.54 C ATOM 0 H LEU B 16 14.472 5.787 5.465 1.00 0.49 H new ATOM 0 HA LEU B 16 15.940 8.001 4.296 1.00 0.52 H new ATOM 0 HB2 LEU B 16 16.597 5.988 6.488 1.00 0.55 H new ATOM 0 HB3 LEU B 16 17.684 7.273 6.000 1.00 0.55 H new ATOM 0 HG LEU B 16 14.861 7.677 7.052 1.00 0.55 H new ATOM 0 HD11 LEU B 16 16.018 8.555 9.087 1.00 0.58 H new ATOM 0 HD12 LEU B 16 16.426 6.849 8.788 1.00 0.58 H new ATOM 0 HD13 LEU B 16 17.587 8.128 8.363 1.00 0.58 H new ATOM 0 HD21 LEU B 16 15.455 10.064 7.222 1.00 0.54 H new ATOM 0 HD22 LEU B 16 17.020 9.725 6.444 1.00 0.54 H new ATOM 0 HD23 LEU B 16 15.506 9.484 5.540 1.00 0.54 H new ATOM 1278 N GLN B 17 16.714 4.962 3.525 1.00 0.53 N ATOM 1279 CA GLN B 17 17.484 4.068 2.652 1.00 0.55 C ATOM 1280 C GLN B 17 16.610 3.604 1.472 1.00 0.53 C ATOM 1281 O GLN B 17 15.434 3.947 1.360 1.00 0.50 O ATOM 1282 CB GLN B 17 18.038 2.875 3.454 1.00 0.58 C ATOM 1283 CG GLN B 17 16.997 1.853 3.946 1.00 0.56 C ATOM 1284 CD GLN B 17 16.068 2.348 5.066 1.00 0.55 C ATOM 1285 OE1 GLN B 17 16.170 3.411 5.652 1.00 0.55 O ATOM 1286 NE2 GLN B 17 15.111 1.528 5.412 1.00 0.54 N ATOM 0 H GLN B 17 15.963 4.482 4.021 1.00 0.53 H new ATOM 0 HA GLN B 17 18.337 4.611 2.245 1.00 0.55 H new ATOM 0 HB2 GLN B 17 18.767 2.352 2.834 1.00 0.58 H new ATOM 0 HB3 GLN B 17 18.575 3.262 4.320 1.00 0.58 H new ATOM 0 HG2 GLN B 17 16.385 1.546 3.098 1.00 0.56 H new ATOM 0 HG3 GLN B 17 17.522 0.965 4.298 1.00 0.56 H new ATOM 0 HE21 GLN B 17 15.009 0.633 4.934 1.00 0.54 H new ATOM 0 HE22 GLN B 17 14.467 1.783 6.160 1.00 0.54 H new ATOM 1295 N THR B 18 17.224 2.772 0.651 1.00 0.55 N ATOM 1296 CA THR B 18 16.576 2.176 -0.530 1.00 0.54 C ATOM 1297 C THR B 18 16.750 0.648 -0.552 1.00 0.55 C ATOM 1298 O THR B 18 17.311 0.048 0.369 1.00 0.57 O ATOM 1299 CB THR B 18 17.137 2.873 -1.781 1.00 0.56 C ATOM 1300 OG1 THR B 18 16.410 2.416 -2.918 1.00 0.55 O ATOM 1301 CG2 THR B 18 18.643 2.659 -1.991 1.00 0.60 C ATOM 0 H THR B 18 18.194 2.481 0.775 1.00 0.55 H new ATOM 0 HA THR B 18 15.498 2.335 -0.500 1.00 0.54 H new ATOM 0 HB THR B 18 17.013 3.946 -1.638 1.00 0.56 H new ATOM 0 HG1 THR B 18 17.037 2.163 -3.627 1.00 0.55 H new ATOM 0 HG21 THR B 18 18.962 3.181 -2.893 1.00 0.60 H new ATOM 0 HG22 THR B 18 19.189 3.050 -1.133 1.00 0.60 H new ATOM 0 HG23 THR B 18 18.848 1.594 -2.097 1.00 0.60 H new ATOM 1309 N THR B 19 16.350 0.038 -1.663 1.00 0.55 N ATOM 1310 CA THR B 19 16.414 -1.410 -1.921 1.00 0.57 C ATOM 1311 C THR B 19 16.399 -1.680 -3.436 1.00 0.58 C ATOM 1312 O THR B 19 15.857 -0.904 -4.233 1.00 0.57 O ATOM 1313 CB THR B 19 15.235 -2.120 -1.221 1.00 0.54 C ATOM 1314 OG1 THR B 19 15.282 -1.858 0.187 1.00 0.54 O ATOM 1315 CG2 THR B 19 15.228 -3.639 -1.408 1.00 0.56 C ATOM 0 H THR B 19 15.954 0.556 -2.447 1.00 0.55 H new ATOM 0 HA THR B 19 17.345 -1.807 -1.516 1.00 0.57 H new ATOM 0 HB THR B 19 14.333 -1.721 -1.685 1.00 0.54 H new ATOM 0 HG1 THR B 19 14.748 -1.062 0.390 1.00 0.54 H new ATOM 0 HG21 THR B 19 14.371 -4.066 -0.888 1.00 0.56 H new ATOM 0 HG22 THR B 19 15.162 -3.875 -2.470 1.00 0.56 H new ATOM 0 HG23 THR B 19 16.147 -4.060 -1.000 1.00 0.56 H new ATOM 1323 N GLN B 20 17.008 -2.802 -3.784 1.00 0.61 N ATOM 1324 CA GLN B 20 17.096 -3.337 -5.145 1.00 0.64 C ATOM 1325 C GLN B 20 16.644 -4.798 -5.219 1.00 0.64 C ATOM 1326 O GLN B 20 17.419 -5.747 -5.342 1.00 0.68 O ATOM 1327 CB GLN B 20 18.501 -3.124 -5.742 1.00 0.68 C ATOM 1328 CG GLN B 20 19.672 -3.860 -5.079 1.00 0.72 C ATOM 1329 CD GLN B 20 19.983 -3.444 -3.640 1.00 0.70 C ATOM 1330 OE1 GLN B 20 19.578 -2.434 -3.086 1.00 0.68 O ATOM 1331 NE2 GLN B 20 20.802 -4.236 -2.995 1.00 0.73 N ATOM 0 H GLN B 20 17.477 -3.395 -3.100 1.00 0.61 H new ATOM 0 HA GLN B 20 16.399 -2.772 -5.763 1.00 0.64 H new ATOM 0 HB2 GLN B 20 18.469 -3.419 -6.791 1.00 0.68 H new ATOM 0 HB3 GLN B 20 18.718 -2.056 -5.718 1.00 0.68 H new ATOM 0 HG2 GLN B 20 19.460 -4.929 -5.092 1.00 0.72 H new ATOM 0 HG3 GLN B 20 20.565 -3.705 -5.684 1.00 0.72 H new ATOM 0 HE21 GLN B 20 21.150 -5.084 -3.443 1.00 0.73 H new ATOM 0 HE22 GLN B 20 21.092 -4.005 -2.045 1.00 0.73 H new ATOM 1340 N GLY B 21 15.324 -4.948 -5.083 1.00 0.61 N ATOM 1341 CA GLY B 21 14.725 -6.270 -5.254 1.00 0.61 C ATOM 1342 C GLY B 21 14.461 -6.568 -6.745 1.00 0.63 C ATOM 1343 O GLY B 21 14.646 -5.678 -7.568 1.00 0.64 O ATOM 0 H GLY B 21 14.670 -4.197 -4.862 1.00 0.61 H new ATOM 0 HA2 GLY B 21 15.387 -7.030 -4.839 1.00 0.61 H new ATOM 0 HA3 GLY B 21 13.789 -6.324 -4.697 1.00 0.61 H new ATOM 1347 N VAL B 22 13.870 -7.686 -7.148 1.00 0.64 N ATOM 1348 CA VAL B 22 13.181 -8.839 -6.492 1.00 0.63 C ATOM 1349 C VAL B 22 11.938 -9.149 -7.354 1.00 0.62 C ATOM 1350 O VAL B 22 11.732 -8.536 -8.398 1.00 0.63 O ATOM 1351 CB VAL B 22 12.804 -8.657 -4.993 1.00 0.60 C ATOM 1352 CG1 VAL B 22 11.658 -7.666 -4.727 1.00 0.56 C ATOM 1353 CG2 VAL B 22 12.620 -9.985 -4.252 1.00 0.61 C ATOM 0 H VAL B 22 13.852 -7.852 -8.154 1.00 0.64 H new ATOM 0 HA VAL B 22 13.888 -9.668 -6.451 1.00 0.63 H new ATOM 0 HB VAL B 22 13.683 -8.178 -4.561 1.00 0.60 H new ATOM 0 HG11 VAL B 22 11.469 -7.607 -3.655 1.00 0.56 H new ATOM 0 HG12 VAL B 22 11.935 -6.680 -5.101 1.00 0.56 H new ATOM 0 HG13 VAL B 22 10.757 -8.007 -5.236 1.00 0.56 H new ATOM 0 HG21 VAL B 22 12.358 -9.788 -3.212 1.00 0.61 H new ATOM 0 HG22 VAL B 22 11.822 -10.558 -4.725 1.00 0.61 H new ATOM 0 HG23 VAL B 22 13.548 -10.555 -4.291 1.00 0.61 H new ATOM 1363 N HIS B 23 11.077 -10.044 -6.883 1.00 0.61 N ATOM 1364 CA HIS B 23 9.811 -10.339 -7.557 1.00 0.61 C ATOM 1365 C HIS B 23 8.626 -9.977 -6.636 1.00 0.57 C ATOM 1366 O HIS B 23 8.695 -10.227 -5.426 1.00 0.56 O ATOM 1367 CB HIS B 23 9.797 -11.820 -7.959 1.00 0.64 C ATOM 1368 CG HIS B 23 8.643 -12.137 -8.915 1.00 0.64 C ATOM 1369 ND1 HIS B 23 7.376 -12.306 -8.549 1.00 0.63 N ATOM 1370 CD2 HIS B 23 8.714 -12.328 -10.227 1.00 0.67 C ATOM 1371 CE1 HIS B 23 6.662 -12.616 -9.630 1.00 0.65 C ATOM 1372 NE2 HIS B 23 7.494 -12.631 -10.667 1.00 0.68 N ATOM 0 H HIS B 23 11.231 -10.583 -6.031 1.00 0.61 H new ATOM 0 HA HIS B 23 9.711 -9.738 -8.461 1.00 0.61 H new ATOM 0 HB2 HIS B 23 10.744 -12.077 -8.434 1.00 0.64 H new ATOM 0 HB3 HIS B 23 9.710 -12.439 -7.066 1.00 0.64 H new ATOM 0 HD2 HIS B 23 9.605 -12.251 -10.832 1.00 0.67 H new ATOM 0 HE1 HIS B 23 5.601 -12.818 -9.659 1.00 0.65 H new ATOM 0 HE2 HIS B 23 7.241 -12.839 -11.633 1.00 0.68 H new ATOM 1380 N PRO B 24 7.537 -9.463 -7.233 1.00 0.57 N ATOM 1381 CA PRO B 24 6.259 -9.170 -6.548 1.00 0.55 C ATOM 1382 C PRO B 24 5.735 -10.355 -5.739 1.00 0.55 C ATOM 1383 O PRO B 24 4.946 -10.152 -4.827 1.00 0.53 O ATOM 1384 CB PRO B 24 5.248 -8.946 -7.663 1.00 0.56 C ATOM 1385 CG PRO B 24 6.088 -8.390 -8.799 1.00 0.58 C ATOM 1386 CD PRO B 24 7.426 -9.099 -8.661 1.00 0.59 C ATOM 0 HA PRO B 24 6.405 -8.329 -5.870 1.00 0.55 H new ATOM 0 HB2 PRO B 24 4.753 -9.874 -7.948 1.00 0.56 H new ATOM 0 HB3 PRO B 24 4.467 -8.247 -7.362 1.00 0.56 H new ATOM 0 HG2 PRO B 24 5.630 -8.591 -9.767 1.00 0.58 H new ATOM 0 HG3 PRO B 24 6.201 -7.309 -8.718 1.00 0.58 H new ATOM 0 HD2 PRO B 24 7.468 -9.984 -9.296 1.00 0.59 H new ATOM 0 HD3 PRO B 24 8.247 -8.450 -8.965 1.00 0.59 H new ATOM 1394 N LYS B 25 6.175 -11.563 -6.081 1.00 0.57 N ATOM 1395 CA LYS B 25 5.785 -12.814 -5.413 1.00 0.58 C ATOM 1396 C LYS B 25 5.968 -12.750 -3.887 1.00 0.56 C ATOM 1397 O LYS B 25 5.214 -13.365 -3.142 1.00 0.57 O ATOM 1398 CB LYS B 25 6.626 -13.953 -5.983 1.00 0.61 C ATOM 1399 CG LYS B 25 5.778 -15.218 -6.113 1.00 0.62 C ATOM 1400 CD LYS B 25 6.557 -16.395 -6.704 1.00 0.66 C ATOM 1401 CE LYS B 25 7.605 -16.937 -5.731 1.00 0.67 C ATOM 1402 NZ LYS B 25 7.472 -18.393 -5.618 1.00 0.69 N ATOM 0 H LYS B 25 6.830 -11.709 -6.849 1.00 0.57 H new ATOM 0 HA LYS B 25 4.724 -12.980 -5.600 1.00 0.58 H new ATOM 0 HB2 LYS B 25 7.023 -13.670 -6.958 1.00 0.61 H new ATOM 0 HB3 LYS B 25 7.481 -14.144 -5.334 1.00 0.61 H new ATOM 0 HG2 LYS B 25 5.397 -15.497 -5.131 1.00 0.62 H new ATOM 0 HG3 LYS B 25 4.913 -15.007 -6.743 1.00 0.62 H new ATOM 0 HD2 LYS B 25 5.863 -17.192 -6.969 1.00 0.66 H new ATOM 0 HD3 LYS B 25 7.047 -16.079 -7.625 1.00 0.66 H new ATOM 0 HE2 LYS B 25 8.605 -16.680 -6.079 1.00 0.67 H new ATOM 0 HE3 LYS B 25 7.480 -16.474 -4.752 1.00 0.67 H new ATOM 0 HZ1 LYS B 25 8.187 -18.756 -4.956 1.00 0.69 H new ATOM 0 HZ2 LYS B 25 6.522 -18.629 -5.266 1.00 0.69 H new ATOM 0 HZ3 LYS B 25 7.613 -18.828 -6.552 1.00 0.69 H new ATOM 1416 N MET B 26 6.936 -11.938 -3.457 1.00 0.55 N ATOM 1417 CA MET B 26 7.200 -11.679 -2.029 1.00 0.55 C ATOM 1418 C MET B 26 6.374 -10.517 -1.451 1.00 0.52 C ATOM 1419 O MET B 26 6.227 -10.380 -0.235 1.00 0.52 O ATOM 1420 CB MET B 26 8.699 -11.444 -1.814 1.00 0.57 C ATOM 1421 CG MET B 26 9.532 -12.707 -2.073 1.00 0.64 C ATOM 1422 SD MET B 26 9.297 -14.037 -0.834 1.00 0.75 S ATOM 1423 CE MET B 26 8.169 -15.127 -1.676 1.00 0.95 C ATOM 0 H MET B 26 7.564 -11.437 -4.086 1.00 0.55 H new ATOM 0 HA MET B 26 6.882 -12.567 -1.482 1.00 0.55 H new ATOM 0 HB2 MET B 26 9.038 -10.647 -2.476 1.00 0.57 H new ATOM 0 HB3 MET B 26 8.868 -11.104 -0.792 1.00 0.57 H new ATOM 0 HG2 MET B 26 9.280 -13.097 -3.059 1.00 0.64 H new ATOM 0 HG3 MET B 26 10.587 -12.433 -2.098 1.00 0.64 H new ATOM 0 HE1 MET B 26 7.462 -15.544 -0.959 1.00 0.95 H new ATOM 0 HE2 MET B 26 7.626 -14.570 -2.439 1.00 0.95 H new ATOM 0 HE3 MET B 26 8.728 -15.936 -2.146 1.00 0.95 H new ATOM 1433 N ILE B 27 5.857 -9.660 -2.325 1.00 0.50 N ATOM 1434 CA ILE B 27 5.076 -8.499 -1.892 1.00 0.48 C ATOM 1435 C ILE B 27 3.576 -8.803 -1.888 1.00 0.49 C ATOM 1436 O ILE B 27 3.082 -9.539 -2.742 1.00 0.56 O ATOM 1437 CB ILE B 27 5.343 -7.275 -2.800 1.00 0.52 C ATOM 1438 CG1 ILE B 27 6.843 -7.135 -3.102 1.00 0.56 C ATOM 1439 CG2 ILE B 27 4.810 -6.003 -2.154 1.00 0.53 C ATOM 1440 CD1 ILE B 27 7.702 -6.880 -1.878 1.00 0.58 C ATOM 0 H ILE B 27 5.962 -9.744 -3.336 1.00 0.50 H new ATOM 0 HA ILE B 27 5.393 -8.268 -0.875 1.00 0.48 H new ATOM 0 HB ILE B 27 4.818 -7.431 -3.742 1.00 0.52 H new ATOM 0 HG12 ILE B 27 7.190 -8.044 -3.593 1.00 0.56 H new ATOM 0 HG13 ILE B 27 6.985 -6.317 -3.809 1.00 0.56 H new ATOM 0 HG21 ILE B 27 5.007 -5.153 -2.807 1.00 0.53 H new ATOM 0 HG22 ILE B 27 3.736 -6.098 -1.996 1.00 0.53 H new ATOM 0 HG23 ILE B 27 5.305 -5.847 -1.196 1.00 0.53 H new ATOM 0 HD11 ILE B 27 8.746 -6.794 -2.178 1.00 0.58 H new ATOM 0 HD12 ILE B 27 7.385 -5.955 -1.397 1.00 0.58 H new ATOM 0 HD13 ILE B 27 7.593 -7.708 -1.178 1.00 0.58 H new ATOM 1452 N SER B 28 2.857 -8.230 -0.921 1.00 0.47 N ATOM 1453 CA SER B 28 1.416 -8.437 -0.810 1.00 0.54 C ATOM 1454 C SER B 28 0.707 -7.151 -0.382 1.00 0.55 C ATOM 1455 O SER B 28 -0.502 -7.149 -0.147 1.00 0.70 O ATOM 1456 CB SER B 28 1.120 -9.556 0.194 1.00 0.61 C ATOM 1457 OG SER B 28 1.682 -10.785 -0.232 1.00 0.68 O ATOM 0 H SER B 28 3.251 -7.620 -0.205 1.00 0.47 H new ATOM 0 HA SER B 28 1.039 -8.725 -1.791 1.00 0.54 H new ATOM 0 HB2 SER B 28 1.522 -9.288 1.171 1.00 0.61 H new ATOM 0 HB3 SER B 28 0.042 -9.667 0.312 1.00 0.61 H new ATOM 0 HG SER B 28 1.234 -11.526 0.226 1.00 0.68 H new ATOM 1463 N ASN B 29 1.463 -6.058 -0.283 1.00 0.49 N ATOM 1464 CA ASN B 29 0.899 -4.770 0.118 1.00 0.50 C ATOM 1465 C ASN B 29 1.685 -3.612 -0.496 1.00 0.49 C ATOM 1466 O ASN B 29 2.908 -3.548 -0.372 1.00 0.49 O ATOM 1467 CB ASN B 29 0.892 -4.649 1.647 1.00 0.54 C ATOM 1468 CG ASN B 29 0.193 -3.393 2.139 1.00 0.58 C ATOM 1469 OD1 ASN B 29 -0.741 -2.897 1.507 1.00 0.67 O ATOM 1470 ND2 ASN B 29 0.647 -2.873 3.270 1.00 0.83 N ATOM 0 H ASN B 29 2.465 -6.039 -0.474 1.00 0.49 H new ATOM 0 HA ASN B 29 -0.126 -4.719 -0.249 1.00 0.50 H new ATOM 0 HB2 ASN B 29 0.399 -5.523 2.073 1.00 0.54 H new ATOM 0 HB3 ASN B 29 1.919 -4.653 2.011 1.00 0.54 H new ATOM 0 HD21 ASN B 29 0.220 -2.028 3.650 1.00 0.83 H new ATOM 0 HD22 ASN B 29 1.423 -3.317 3.760 1.00 0.83 H new ATOM 1477 N LEU B 30 0.973 -2.698 -1.157 1.00 0.53 N ATOM 1478 CA LEU B 30 1.603 -1.540 -1.784 1.00 0.55 C ATOM 1479 C LEU B 30 1.165 -0.243 -1.108 1.00 0.56 C ATOM 1480 O LEU B 30 0.019 0.182 -1.236 1.00 0.75 O ATOM 1481 CB LEU B 30 1.270 -1.486 -3.280 1.00 0.60 C ATOM 1482 CG LEU B 30 1.863 -0.292 -4.036 1.00 0.69 C ATOM 1483 CD1 LEU B 30 3.370 -0.437 -4.175 1.00 0.74 C ATOM 1484 CD2 LEU B 30 1.212 -0.145 -5.404 1.00 0.75 C ATOM 0 H LEU B 30 -0.040 -2.739 -1.271 1.00 0.53 H new ATOM 0 HA LEU B 30 2.681 -1.645 -1.665 1.00 0.55 H new ATOM 0 HB2 LEU B 30 1.624 -2.405 -3.748 1.00 0.60 H new ATOM 0 HB3 LEU B 30 0.186 -1.467 -3.395 1.00 0.60 H new ATOM 0 HG LEU B 30 1.658 0.610 -3.460 1.00 0.69 H new ATOM 0 HD11 LEU B 30 3.770 0.421 -4.715 1.00 0.74 H new ATOM 0 HD12 LEU B 30 3.824 -0.487 -3.185 1.00 0.74 H new ATOM 0 HD13 LEU B 30 3.598 -1.350 -4.725 1.00 0.74 H new ATOM 0 HD21 LEU B 30 1.647 0.708 -5.924 1.00 0.75 H new ATOM 0 HD22 LEU B 30 1.382 -1.050 -5.987 1.00 0.75 H new ATOM 0 HD23 LEU B 30 0.140 0.012 -5.282 1.00 0.75 H new ATOM 1496 N GLN B 31 2.091 0.383 -0.390 1.00 0.50 N ATOM 1497 CA GLN B 31 1.809 1.636 0.302 1.00 0.50 C ATOM 1498 C GLN B 31 2.419 2.813 -0.455 1.00 0.51 C ATOM 1499 O GLN B 31 3.614 2.823 -0.755 1.00 0.60 O ATOM 1500 CB GLN B 31 2.350 1.583 1.732 1.00 0.53 C ATOM 1501 CG GLN B 31 1.752 0.461 2.568 1.00 0.57 C ATOM 1502 CD GLN B 31 2.733 -0.122 3.568 1.00 0.75 C ATOM 1503 OE1 GLN B 31 3.469 -1.059 3.258 1.00 1.08 O ATOM 1504 NE2 GLN B 31 2.747 0.428 4.777 1.00 1.01 N ATOM 0 H GLN B 31 3.045 0.043 -0.272 1.00 0.50 H new ATOM 0 HA GLN B 31 0.729 1.776 0.342 1.00 0.50 H new ATOM 0 HB2 GLN B 31 3.433 1.462 1.698 1.00 0.53 H new ATOM 0 HB3 GLN B 31 2.151 2.536 2.222 1.00 0.53 H new ATOM 0 HG2 GLN B 31 0.879 0.838 3.101 1.00 0.57 H new ATOM 0 HG3 GLN B 31 1.403 -0.331 1.906 1.00 0.57 H new ATOM 0 HE21 GLN B 31 2.120 1.203 4.992 1.00 1.01 H new ATOM 0 HE22 GLN B 31 3.385 0.075 5.490 1.00 1.01 H new ATOM 1513 N VAL B 32 1.590 3.803 -0.766 1.00 0.49 N ATOM 1514 CA VAL B 32 2.041 4.980 -1.500 1.00 0.51 C ATOM 1515 C VAL B 32 1.949 6.235 -0.639 1.00 0.49 C ATOM 1516 O VAL B 32 0.905 6.526 -0.058 1.00 0.61 O ATOM 1517 CB VAL B 32 1.218 5.187 -2.793 1.00 0.56 C ATOM 1518 CG1 VAL B 32 1.845 6.262 -3.667 1.00 0.61 C ATOM 1519 CG2 VAL B 32 1.087 3.879 -3.559 1.00 0.59 C ATOM 0 H VAL B 32 0.600 3.814 -0.521 1.00 0.49 H new ATOM 0 HA VAL B 32 3.083 4.807 -1.768 1.00 0.51 H new ATOM 0 HB VAL B 32 0.219 5.521 -2.511 1.00 0.56 H new ATOM 0 HG11 VAL B 32 1.249 6.390 -4.570 1.00 0.61 H new ATOM 0 HG12 VAL B 32 1.879 7.203 -3.118 1.00 0.61 H new ATOM 0 HG13 VAL B 32 2.858 5.964 -3.940 1.00 0.61 H new ATOM 0 HG21 VAL B 32 0.505 4.045 -4.465 1.00 0.59 H new ATOM 0 HG22 VAL B 32 2.078 3.513 -3.826 1.00 0.59 H new ATOM 0 HG23 VAL B 32 0.584 3.141 -2.935 1.00 0.59 H new ATOM 1529 N PHE B 33 3.051 6.974 -0.564 1.00 0.48 N ATOM 1530 CA PHE B 33 3.104 8.201 0.222 1.00 0.48 C ATOM 1531 C PHE B 33 3.436 9.394 -0.668 1.00 0.50 C ATOM 1532 O PHE B 33 4.453 9.392 -1.363 1.00 0.56 O ATOM 1533 CB PHE B 33 4.148 8.078 1.335 1.00 0.53 C ATOM 1534 CG PHE B 33 3.686 7.282 2.524 1.00 0.57 C ATOM 1535 CD1 PHE B 33 2.906 7.875 3.505 1.00 0.70 C ATOM 1536 CD2 PHE B 33 4.030 5.947 2.664 1.00 0.65 C ATOM 1537 CE1 PHE B 33 2.486 7.154 4.607 1.00 0.85 C ATOM 1538 CE2 PHE B 33 3.613 5.221 3.765 1.00 0.78 C ATOM 1539 CZ PHE B 33 2.836 5.824 4.735 1.00 0.86 C ATOM 0 H PHE B 33 3.923 6.743 -1.040 1.00 0.48 H new ATOM 0 HA PHE B 33 2.124 8.359 0.671 1.00 0.48 H new ATOM 0 HB2 PHE B 33 5.046 7.614 0.927 1.00 0.53 H new ATOM 0 HB3 PHE B 33 4.429 9.077 1.667 1.00 0.53 H new ATOM 0 HD1 PHE B 33 2.623 8.913 3.407 1.00 0.70 H new ATOM 0 HD2 PHE B 33 4.631 5.468 1.905 1.00 0.65 H new ATOM 0 HE1 PHE B 33 1.885 7.630 5.367 1.00 0.85 H new ATOM 0 HE2 PHE B 33 3.895 4.183 3.866 1.00 0.78 H new ATOM 0 HZ PHE B 33 2.503 5.257 5.592 1.00 0.86 H new ATOM 1549 N ALA B 34 2.574 10.409 -0.648 1.00 0.50 N ATOM 1550 CA ALA B 34 2.789 11.606 -1.455 1.00 0.55 C ATOM 1551 C ALA B 34 3.581 12.664 -0.678 1.00 0.54 C ATOM 1552 O ALA B 34 4.526 12.339 0.042 1.00 0.58 O ATOM 1553 CB ALA B 34 1.455 12.165 -1.927 1.00 0.61 C ATOM 0 H ALA B 34 1.724 10.426 -0.084 1.00 0.50 H new ATOM 0 HA ALA B 34 3.380 11.329 -2.328 1.00 0.55 H new ATOM 0 HB1 ALA B 34 1.627 13.058 -2.528 1.00 0.61 H new ATOM 0 HB2 ALA B 34 0.939 11.416 -2.528 1.00 0.61 H new ATOM 0 HB3 ALA B 34 0.842 12.422 -1.063 1.00 0.61 H new ATOM 1559 N ILE B 35 3.193 13.929 -0.835 1.00 0.60 N ATOM 1560 CA ILE B 35 3.861 15.037 -0.160 1.00 0.63 C ATOM 1561 C ILE B 35 3.481 15.096 1.319 1.00 0.59 C ATOM 1562 O ILE B 35 2.300 15.107 1.670 1.00 0.63 O ATOM 1563 CB ILE B 35 3.514 16.383 -0.831 1.00 0.75 C ATOM 1564 CG1 ILE B 35 3.812 16.320 -2.332 1.00 0.90 C ATOM 1565 CG2 ILE B 35 4.283 17.524 -0.178 1.00 0.77 C ATOM 1566 CD1 ILE B 35 3.251 17.490 -3.113 1.00 1.10 C ATOM 0 H ILE B 35 2.413 14.212 -1.429 1.00 0.60 H new ATOM 0 HA ILE B 35 4.934 14.863 -0.241 1.00 0.63 H new ATOM 0 HB ILE B 35 2.449 16.572 -0.697 1.00 0.75 H new ATOM 0 HG12 ILE B 35 4.891 16.281 -2.478 1.00 0.90 H new ATOM 0 HG13 ILE B 35 3.402 15.394 -2.736 1.00 0.90 H new ATOM 0 HG21 ILE B 35 4.024 18.464 -0.666 1.00 0.77 H new ATOM 0 HG22 ILE B 35 4.023 17.580 0.879 1.00 0.77 H new ATOM 0 HG23 ILE B 35 5.354 17.346 -0.279 1.00 0.77 H new ATOM 0 HD11 ILE B 35 3.501 17.377 -4.168 1.00 1.10 H new ATOM 0 HD12 ILE B 35 2.167 17.518 -2.998 1.00 1.10 H new ATOM 0 HD13 ILE B 35 3.680 18.418 -2.736 1.00 1.10 H new ATOM 1578 N GLY B 36 4.493 15.133 2.182 1.00 0.58 N ATOM 1579 CA GLY B 36 4.254 15.193 3.612 1.00 0.59 C ATOM 1580 C GLY B 36 5.082 16.269 4.294 1.00 0.63 C ATOM 1581 O GLY B 36 5.925 16.901 3.656 1.00 0.63 O ATOM 0 H GLY B 36 5.477 15.122 1.914 1.00 0.58 H new ATOM 0 HA2 GLY B 36 3.196 15.383 3.793 1.00 0.59 H new ATOM 0 HA3 GLY B 36 4.484 14.225 4.057 1.00 0.59 H new ATOM 1585 N PRO B 37 4.857 16.504 5.602 1.00 0.67 N ATOM 1586 CA PRO B 37 5.592 17.511 6.377 1.00 0.73 C ATOM 1587 C PRO B 37 7.004 17.053 6.740 1.00 0.71 C ATOM 1588 O PRO B 37 7.811 17.834 7.246 1.00 0.77 O ATOM 1589 CB PRO B 37 4.746 17.679 7.652 1.00 0.79 C ATOM 1590 CG PRO B 37 3.504 16.876 7.438 1.00 0.77 C ATOM 1591 CD PRO B 37 3.857 15.821 6.432 1.00 0.69 C ATOM 0 HA PRO B 37 5.725 18.433 5.811 1.00 0.73 H new ATOM 0 HB2 PRO B 37 5.290 17.328 8.529 1.00 0.79 H new ATOM 0 HB3 PRO B 37 4.506 18.728 7.824 1.00 0.79 H new ATOM 0 HG2 PRO B 37 3.165 16.426 8.371 1.00 0.77 H new ATOM 0 HG3 PRO B 37 2.692 17.505 7.074 1.00 0.77 H new ATOM 0 HD2 PRO B 37 4.263 14.927 6.905 1.00 0.69 H new ATOM 0 HD3 PRO B 37 2.990 15.508 5.850 1.00 0.69 H new ATOM 1599 N GLN B 38 7.294 15.782 6.481 1.00 0.65 N ATOM 1600 CA GLN B 38 8.614 15.211 6.787 1.00 0.65 C ATOM 1601 C GLN B 38 9.442 14.900 5.530 1.00 0.61 C ATOM 1602 O GLN B 38 10.656 14.728 5.604 1.00 0.63 O ATOM 1603 CB GLN B 38 8.424 13.949 7.641 1.00 0.65 C ATOM 1604 CG GLN B 38 7.656 12.826 6.938 1.00 0.59 C ATOM 1605 CD GLN B 38 7.516 11.618 7.859 1.00 0.63 C ATOM 1606 OE1 GLN B 38 6.909 11.664 8.915 1.00 0.71 O ATOM 1607 NE2 GLN B 38 8.037 10.501 7.419 1.00 0.61 N ATOM 0 H GLN B 38 6.638 15.123 6.061 1.00 0.65 H new ATOM 0 HA GLN B 38 9.182 15.959 7.340 1.00 0.65 H new ATOM 0 HB2 GLN B 38 9.403 13.574 7.938 1.00 0.65 H new ATOM 0 HB3 GLN B 38 7.895 14.219 8.555 1.00 0.65 H new ATOM 0 HG2 GLN B 38 6.669 13.182 6.642 1.00 0.59 H new ATOM 0 HG3 GLN B 38 8.177 12.537 6.025 1.00 0.59 H new ATOM 0 HE21 GLN B 38 8.541 10.488 6.532 1.00 0.61 H new ATOM 0 HE22 GLN B 38 7.939 9.644 7.963 1.00 0.61 H new ATOM 1616 N CYS B 39 8.758 14.757 4.396 1.00 0.56 N ATOM 1617 CA CYS B 39 9.419 14.415 3.140 1.00 0.54 C ATOM 1618 C CYS B 39 8.735 15.096 1.958 1.00 0.59 C ATOM 1619 O CYS B 39 7.513 15.040 1.818 1.00 0.67 O ATOM 1620 CB CYS B 39 9.394 12.892 2.954 1.00 0.48 C ATOM 1621 SG CYS B 39 10.751 12.225 1.936 1.00 0.47 S ATOM 0 H CYS B 39 7.747 14.873 4.322 1.00 0.56 H new ATOM 0 HA CYS B 39 10.450 14.766 3.180 1.00 0.54 H new ATOM 0 HB2 CYS B 39 9.429 12.419 3.936 1.00 0.48 H new ATOM 0 HB3 CYS B 39 8.445 12.611 2.498 1.00 0.48 H new ATOM 1626 N SER B 40 9.533 15.734 1.105 1.00 0.64 N ATOM 1627 CA SER B 40 9.007 16.423 -0.067 1.00 0.73 C ATOM 1628 C SER B 40 8.850 15.458 -1.243 1.00 0.72 C ATOM 1629 O SER B 40 7.872 15.528 -1.988 1.00 1.00 O ATOM 1630 CB SER B 40 9.927 17.583 -0.453 1.00 0.87 C ATOM 1631 OG SER B 40 9.389 18.327 -1.535 1.00 1.01 O ATOM 0 H SER B 40 10.547 15.787 1.205 1.00 0.64 H new ATOM 0 HA SER B 40 8.022 16.819 0.182 1.00 0.73 H new ATOM 0 HB2 SER B 40 10.071 18.238 0.406 1.00 0.87 H new ATOM 0 HB3 SER B 40 10.909 17.196 -0.727 1.00 0.87 H new ATOM 0 HG SER B 40 9.996 19.063 -1.760 1.00 1.01 H new ATOM 1637 N LYS B 41 9.819 14.559 -1.397 1.00 0.66 N ATOM 1638 CA LYS B 41 9.790 13.574 -2.474 1.00 0.64 C ATOM 1639 C LYS B 41 8.910 12.387 -2.092 1.00 0.61 C ATOM 1640 O LYS B 41 8.851 11.998 -0.925 1.00 0.61 O ATOM 1641 CB LYS B 41 11.210 13.092 -2.788 1.00 0.64 C ATOM 1642 CG LYS B 41 11.301 12.207 -4.022 1.00 0.71 C ATOM 1643 CD LYS B 41 12.711 11.683 -4.230 1.00 0.81 C ATOM 1644 CE LYS B 41 12.784 10.727 -5.411 1.00 0.97 C ATOM 1645 NZ LYS B 41 14.159 10.188 -5.604 1.00 1.16 N ATOM 0 H LYS B 41 10.635 14.493 -0.788 1.00 0.66 H new ATOM 0 HA LYS B 41 9.370 14.047 -3.362 1.00 0.64 H new ATOM 0 HB2 LYS B 41 11.855 13.959 -2.926 1.00 0.64 H new ATOM 0 HB3 LYS B 41 11.595 12.542 -1.929 1.00 0.64 H new ATOM 0 HG2 LYS B 41 10.612 11.369 -3.921 1.00 0.71 H new ATOM 0 HG3 LYS B 41 10.989 12.772 -4.900 1.00 0.71 H new ATOM 0 HD2 LYS B 41 13.390 12.519 -4.396 1.00 0.81 H new ATOM 0 HD3 LYS B 41 13.047 11.173 -3.327 1.00 0.81 H new ATOM 0 HE2 LYS B 41 12.089 9.902 -5.254 1.00 0.97 H new ATOM 0 HE3 LYS B 41 12.466 11.244 -6.317 1.00 0.97 H new ATOM 0 HZ1 LYS B 41 14.223 9.723 -6.532 1.00 1.16 H new ATOM 0 HZ2 LYS B 41 14.847 10.967 -5.559 1.00 1.16 H new ATOM 0 HZ3 LYS B 41 14.369 9.497 -4.856 1.00 1.16 H new ATOM 1659 N VAL B 42 8.224 11.818 -3.079 1.00 0.61 N ATOM 1660 CA VAL B 42 7.353 10.675 -2.838 1.00 0.62 C ATOM 1661 C VAL B 42 8.166 9.390 -2.689 1.00 0.60 C ATOM 1662 O VAL B 42 9.158 9.177 -3.391 1.00 0.68 O ATOM 1663 CB VAL B 42 6.309 10.498 -3.962 1.00 0.68 C ATOM 1664 CG1 VAL B 42 5.494 11.772 -4.131 1.00 0.72 C ATOM 1665 CG2 VAL B 42 6.972 10.100 -5.272 1.00 0.78 C ATOM 0 H VAL B 42 8.255 12.129 -4.050 1.00 0.61 H new ATOM 0 HA VAL B 42 6.822 10.875 -1.907 1.00 0.62 H new ATOM 0 HB VAL B 42 5.635 9.691 -3.676 1.00 0.68 H new ATOM 0 HG11 VAL B 42 4.762 11.633 -4.927 1.00 0.72 H new ATOM 0 HG12 VAL B 42 4.978 12.000 -3.199 1.00 0.72 H new ATOM 0 HG13 VAL B 42 6.158 12.597 -4.389 1.00 0.72 H new ATOM 0 HG21 VAL B 42 6.211 9.983 -6.044 1.00 0.78 H new ATOM 0 HG22 VAL B 42 7.678 10.874 -5.573 1.00 0.78 H new ATOM 0 HG23 VAL B 42 7.503 9.157 -5.140 1.00 0.78 H new ATOM 1675 N GLU B 43 7.745 8.548 -1.753 1.00 0.56 N ATOM 1676 CA GLU B 43 8.424 7.284 -1.495 1.00 0.54 C ATOM 1677 C GLU B 43 7.412 6.151 -1.395 1.00 0.53 C ATOM 1678 O GLU B 43 6.408 6.266 -0.691 1.00 0.57 O ATOM 1679 CB GLU B 43 9.251 7.382 -0.209 1.00 0.54 C ATOM 1680 CG GLU B 43 10.109 8.638 -0.143 1.00 0.61 C ATOM 1681 CD GLU B 43 10.890 8.753 1.148 1.00 0.68 C ATOM 1682 OE1 GLU B 43 10.259 8.787 2.226 1.00 0.80 O ATOM 1683 OE2 GLU B 43 12.134 8.815 1.081 1.00 0.77 O ATOM 0 H GLU B 43 6.934 8.718 -1.158 1.00 0.56 H new ATOM 0 HA GLU B 43 9.097 7.071 -2.325 1.00 0.54 H new ATOM 0 HB2 GLU B 43 8.580 7.363 0.650 1.00 0.54 H new ATOM 0 HB3 GLU B 43 9.894 6.506 -0.130 1.00 0.54 H new ATOM 0 HG2 GLU B 43 10.804 8.641 -0.983 1.00 0.61 H new ATOM 0 HG3 GLU B 43 9.470 9.514 -0.254 1.00 0.61 H new ATOM 1690 N VAL B 44 7.676 5.058 -2.102 1.00 0.51 N ATOM 1691 CA VAL B 44 6.769 3.915 -2.096 1.00 0.51 C ATOM 1692 C VAL B 44 7.272 2.785 -1.201 1.00 0.49 C ATOM 1693 O VAL B 44 8.259 2.113 -1.501 1.00 0.53 O ATOM 1694 CB VAL B 44 6.510 3.373 -3.521 1.00 0.55 C ATOM 1695 CG1 VAL B 44 5.543 4.280 -4.264 1.00 0.60 C ATOM 1696 CG2 VAL B 44 7.811 3.226 -4.299 1.00 0.59 C ATOM 0 H VAL B 44 8.505 4.939 -2.684 1.00 0.51 H new ATOM 0 HA VAL B 44 5.828 4.284 -1.688 1.00 0.51 H new ATOM 0 HB VAL B 44 6.062 2.384 -3.430 1.00 0.55 H new ATOM 0 HG11 VAL B 44 5.371 3.886 -5.265 1.00 0.60 H new ATOM 0 HG12 VAL B 44 4.597 4.324 -3.724 1.00 0.60 H new ATOM 0 HG13 VAL B 44 5.967 5.282 -4.337 1.00 0.60 H new ATOM 0 HG21 VAL B 44 7.597 2.843 -5.297 1.00 0.59 H new ATOM 0 HG22 VAL B 44 8.298 4.198 -4.380 1.00 0.59 H new ATOM 0 HG23 VAL B 44 8.470 2.532 -3.778 1.00 0.59 H new ATOM 1706 N VAL B 45 6.580 2.600 -0.086 1.00 0.47 N ATOM 1707 CA VAL B 45 6.909 1.533 0.882 1.00 0.46 C ATOM 1708 C VAL B 45 6.008 0.297 0.663 1.00 0.48 C ATOM 1709 O VAL B 45 4.927 0.361 0.074 1.00 0.51 O ATOM 1710 CB VAL B 45 6.895 2.034 2.347 1.00 0.46 C ATOM 1711 CG1 VAL B 45 7.193 3.514 2.454 1.00 0.61 C ATOM 1712 CG2 VAL B 45 5.556 2.000 3.045 1.00 0.62 C ATOM 0 H VAL B 45 5.780 3.173 0.183 1.00 0.47 H new ATOM 0 HA VAL B 45 7.937 1.223 0.694 1.00 0.46 H new ATOM 0 HB VAL B 45 7.625 1.357 2.790 1.00 0.46 H new ATOM 0 HG11 VAL B 45 7.171 3.815 3.501 1.00 0.61 H new ATOM 0 HG12 VAL B 45 8.180 3.717 2.039 1.00 0.61 H new ATOM 0 HG13 VAL B 45 6.443 4.077 1.899 1.00 0.61 H new ATOM 0 HG21 VAL B 45 5.667 2.373 4.063 1.00 0.62 H new ATOM 0 HG22 VAL B 45 4.848 2.627 2.504 1.00 0.62 H new ATOM 0 HG23 VAL B 45 5.186 0.975 3.072 1.00 0.62 H new ATOM 1722 N ALA B 46 6.552 -0.859 0.991 1.00 0.48 N ATOM 1723 CA ALA B 46 5.836 -2.143 0.849 1.00 0.51 C ATOM 1724 C ALA B 46 6.119 -3.070 2.035 1.00 0.51 C ATOM 1725 O ALA B 46 7.149 -2.947 2.702 1.00 0.50 O ATOM 1726 CB ALA B 46 6.242 -2.824 -0.463 1.00 0.55 C ATOM 0 H ALA B 46 7.497 -0.951 1.363 1.00 0.48 H new ATOM 0 HA ALA B 46 4.766 -1.937 0.832 1.00 0.51 H new ATOM 0 HB1 ALA B 46 5.710 -3.770 -0.561 1.00 0.55 H new ATOM 0 HB2 ALA B 46 5.989 -2.177 -1.303 1.00 0.55 H new ATOM 0 HB3 ALA B 46 7.316 -3.010 -0.459 1.00 0.55 H new ATOM 1732 N SER B 47 5.165 -3.951 2.297 1.00 0.54 N ATOM 1733 CA SER B 47 5.288 -4.969 3.358 1.00 0.57 C ATOM 1734 C SER B 47 5.091 -6.370 2.779 1.00 0.60 C ATOM 1735 O SER B 47 4.150 -6.642 2.023 1.00 0.63 O ATOM 1736 CB SER B 47 4.261 -4.747 4.469 1.00 0.60 C ATOM 1737 OG SER B 47 4.522 -3.509 5.133 1.00 0.58 O ATOM 0 H SER B 47 4.282 -3.990 1.788 1.00 0.54 H new ATOM 0 HA SER B 47 6.289 -4.877 3.779 1.00 0.57 H new ATOM 0 HB2 SER B 47 3.255 -4.740 4.050 1.00 0.60 H new ATOM 0 HB3 SER B 47 4.302 -5.569 5.184 1.00 0.60 H new ATOM 0 HG SER B 47 4.210 -2.766 4.575 1.00 0.58 H new ATOM 1743 N LEU B 48 5.993 -7.272 3.159 1.00 0.62 N ATOM 1744 CA LEU B 48 5.947 -8.655 2.702 1.00 0.67 C ATOM 1745 C LEU B 48 4.890 -9.441 3.475 1.00 0.71 C ATOM 1746 O LEU B 48 4.383 -8.978 4.498 1.00 0.70 O ATOM 1747 CB LEU B 48 7.317 -9.323 2.877 1.00 0.68 C ATOM 1748 CG LEU B 48 8.389 -8.906 1.863 1.00 0.70 C ATOM 1749 CD1 LEU B 48 9.004 -7.567 2.240 1.00 0.70 C ATOM 1750 CD2 LEU B 48 9.465 -9.977 1.762 1.00 0.75 C ATOM 0 H LEU B 48 6.770 -7.065 3.787 1.00 0.62 H new ATOM 0 HA LEU B 48 5.684 -8.654 1.644 1.00 0.67 H new ATOM 0 HB2 LEU B 48 7.684 -9.102 3.879 1.00 0.68 H new ATOM 0 HB3 LEU B 48 7.185 -10.403 2.817 1.00 0.68 H new ATOM 0 HG LEU B 48 7.912 -8.796 0.889 1.00 0.70 H new ATOM 0 HD11 LEU B 48 9.761 -7.294 1.505 1.00 0.70 H new ATOM 0 HD12 LEU B 48 8.227 -6.803 2.261 1.00 0.70 H new ATOM 0 HD13 LEU B 48 9.465 -7.643 3.225 1.00 0.70 H new ATOM 0 HD21 LEU B 48 10.219 -9.668 1.039 1.00 0.75 H new ATOM 0 HD22 LEU B 48 9.932 -10.116 2.737 1.00 0.75 H new ATOM 0 HD23 LEU B 48 9.015 -10.915 1.438 1.00 0.75 H new ATOM 1762 N LYS B 49 4.569 -10.637 2.984 1.00 0.76 N ATOM 1763 CA LYS B 49 3.576 -11.490 3.631 1.00 0.82 C ATOM 1764 C LYS B 49 4.151 -12.125 4.901 1.00 0.84 C ATOM 1765 O LYS B 49 3.410 -12.626 5.749 1.00 0.89 O ATOM 1766 CB LYS B 49 3.100 -12.575 2.658 1.00 0.89 C ATOM 1767 CG LYS B 49 1.867 -13.336 3.130 1.00 0.98 C ATOM 1768 CD LYS B 49 0.674 -12.412 3.333 1.00 1.05 C ATOM 1769 CE LYS B 49 -0.544 -13.173 3.833 1.00 1.23 C ATOM 1770 NZ LYS B 49 -0.275 -13.872 5.120 1.00 1.27 N ATOM 0 H LYS B 49 4.982 -11.036 2.141 1.00 0.76 H new ATOM 0 HA LYS B 49 2.723 -10.874 3.916 1.00 0.82 H new ATOM 0 HB2 LYS B 49 2.883 -12.114 1.695 1.00 0.89 H new ATOM 0 HB3 LYS B 49 3.912 -13.284 2.496 1.00 0.89 H new ATOM 0 HG2 LYS B 49 1.612 -14.103 2.399 1.00 0.98 H new ATOM 0 HG3 LYS B 49 2.093 -13.849 4.065 1.00 0.98 H new ATOM 0 HD2 LYS B 49 0.935 -11.632 4.048 1.00 1.05 H new ATOM 0 HD3 LYS B 49 0.433 -11.916 2.393 1.00 1.05 H new ATOM 0 HE2 LYS B 49 -1.376 -12.481 3.963 1.00 1.23 H new ATOM 0 HE3 LYS B 49 -0.850 -13.901 3.082 1.00 1.23 H new ATOM 0 HZ1 LYS B 49 -1.174 -14.176 5.545 1.00 1.27 H new ATOM 0 HZ2 LYS B 49 0.324 -14.704 4.945 1.00 1.27 H new ATOM 0 HZ3 LYS B 49 0.214 -13.225 5.771 1.00 1.27 H new ATOM 1784 N ASN B 50 5.475 -12.088 5.025 1.00 0.81 N ATOM 1785 CA ASN B 50 6.161 -12.651 6.185 1.00 0.84 C ATOM 1786 C ASN B 50 6.065 -11.711 7.387 1.00 0.80 C ATOM 1787 O ASN B 50 6.076 -12.155 8.535 1.00 0.97 O ATOM 1788 CB ASN B 50 7.631 -12.919 5.855 1.00 0.86 C ATOM 1789 CG ASN B 50 7.800 -13.895 4.708 1.00 0.94 C ATOM 1790 OD1 ASN B 50 6.979 -14.792 4.512 1.00 0.99 O ATOM 1791 ND2 ASN B 50 8.870 -13.727 3.941 1.00 0.97 N ATOM 0 H ASN B 50 6.097 -11.672 4.332 1.00 0.81 H new ATOM 0 HA ASN B 50 5.673 -13.592 6.440 1.00 0.84 H new ATOM 0 HB2 ASN B 50 8.121 -11.978 5.603 1.00 0.86 H new ATOM 0 HB3 ASN B 50 8.133 -13.312 6.739 1.00 0.86 H new ATOM 0 HD21 ASN B 50 9.037 -14.354 3.154 1.00 0.97 H new ATOM 0 HD22 ASN B 50 9.525 -12.971 4.138 1.00 0.97 H new ATOM 1798 N GLY B 51 5.974 -10.412 7.112 1.00 0.67 N ATOM 1799 CA GLY B 51 5.877 -9.432 8.176 1.00 0.65 C ATOM 1800 C GLY B 51 7.051 -8.473 8.196 1.00 0.60 C ATOM 1801 O GLY B 51 7.531 -8.091 9.262 1.00 0.67 O ATOM 0 H GLY B 51 5.966 -10.022 6.169 1.00 0.67 H new ATOM 0 HA2 GLY B 51 4.953 -8.866 8.060 1.00 0.65 H new ATOM 0 HA3 GLY B 51 5.817 -9.947 9.135 1.00 0.65 H new ATOM 1805 N LYS B 52 7.521 -8.087 7.013 1.00 0.57 N ATOM 1806 CA LYS B 52 8.644 -7.162 6.905 1.00 0.55 C ATOM 1807 C LYS B 52 8.270 -5.944 6.068 1.00 0.51 C ATOM 1808 O LYS B 52 7.313 -5.979 5.305 1.00 0.60 O ATOM 1809 CB LYS B 52 9.863 -7.860 6.296 1.00 0.59 C ATOM 1810 CG LYS B 52 10.483 -8.909 7.208 1.00 0.66 C ATOM 1811 CD LYS B 52 11.918 -9.226 6.807 1.00 0.79 C ATOM 1812 CE LYS B 52 12.862 -8.087 7.166 1.00 0.86 C ATOM 1813 NZ LYS B 52 14.274 -8.403 6.815 1.00 1.05 N ATOM 0 H LYS B 52 7.143 -8.399 6.119 1.00 0.57 H new ATOM 0 HA LYS B 52 8.896 -6.827 7.911 1.00 0.55 H new ATOM 0 HB2 LYS B 52 9.570 -8.333 5.359 1.00 0.59 H new ATOM 0 HB3 LYS B 52 10.616 -7.111 6.053 1.00 0.59 H new ATOM 0 HG2 LYS B 52 10.463 -8.553 8.238 1.00 0.66 H new ATOM 0 HG3 LYS B 52 9.886 -9.820 7.174 1.00 0.66 H new ATOM 0 HD2 LYS B 52 12.243 -10.140 7.305 1.00 0.79 H new ATOM 0 HD3 LYS B 52 11.964 -9.414 5.734 1.00 0.79 H new ATOM 0 HE2 LYS B 52 12.553 -7.181 6.644 1.00 0.86 H new ATOM 0 HE3 LYS B 52 12.791 -7.880 8.234 1.00 0.86 H new ATOM 0 HZ1 LYS B 52 14.884 -7.602 7.076 1.00 1.05 H new ATOM 0 HZ2 LYS B 52 14.578 -9.253 7.332 1.00 1.05 H new ATOM 0 HZ3 LYS B 52 14.347 -8.575 5.792 1.00 1.05 H new ATOM 1827 N GLU B 53 9.032 -4.870 6.226 1.00 0.53 N ATOM 1828 CA GLU B 53 8.792 -3.620 5.485 1.00 0.50 C ATOM 1829 C GLU B 53 10.123 -3.043 4.990 1.00 0.50 C ATOM 1830 O GLU B 53 11.099 -2.943 5.737 1.00 0.52 O ATOM 1831 CB GLU B 53 8.061 -2.617 6.386 1.00 0.51 C ATOM 1832 CG GLU B 53 8.925 -2.168 7.570 1.00 0.66 C ATOM 1833 CD GLU B 53 8.163 -1.354 8.600 1.00 0.66 C ATOM 1834 OE1 GLU B 53 7.203 -1.927 9.155 1.00 0.67 O ATOM 1835 OE2 GLU B 53 8.612 -0.219 8.862 1.00 0.71 O ATOM 0 H GLU B 53 9.828 -4.831 6.862 1.00 0.53 H new ATOM 0 HA GLU B 53 8.165 -3.825 4.617 1.00 0.50 H new ATOM 0 HB2 GLU B 53 7.772 -1.746 5.798 1.00 0.51 H new ATOM 0 HB3 GLU B 53 7.142 -3.069 6.759 1.00 0.51 H new ATOM 0 HG2 GLU B 53 9.349 -3.048 8.055 1.00 0.66 H new ATOM 0 HG3 GLU B 53 9.761 -1.576 7.196 1.00 0.66 H new ATOM 1842 N ILE B 54 10.144 -2.731 3.713 1.00 0.47 N ATOM 1843 CA ILE B 54 11.338 -2.126 3.090 1.00 0.47 C ATOM 1844 C ILE B 54 10.940 -0.849 2.335 1.00 0.45 C ATOM 1845 O ILE B 54 9.757 -0.508 2.229 1.00 0.43 O ATOM 1846 CB ILE B 54 12.071 -3.147 2.198 1.00 0.49 C ATOM 1847 CG1 ILE B 54 11.179 -3.605 1.030 1.00 0.47 C ATOM 1848 CG2 ILE B 54 12.607 -4.313 3.050 1.00 0.52 C ATOM 1849 CD1 ILE B 54 11.883 -4.485 -0.007 1.00 0.49 C ATOM 0 H ILE B 54 9.362 -2.878 3.075 1.00 0.47 H new ATOM 0 HA ILE B 54 12.047 -1.838 3.866 1.00 0.47 H new ATOM 0 HB ILE B 54 12.937 -2.667 1.741 1.00 0.49 H new ATOM 0 HG12 ILE B 54 10.328 -4.153 1.434 1.00 0.47 H new ATOM 0 HG13 ILE B 54 10.781 -2.723 0.528 1.00 0.47 H new ATOM 0 HG21 ILE B 54 13.122 -5.027 2.407 1.00 0.52 H new ATOM 0 HG22 ILE B 54 13.302 -3.929 3.796 1.00 0.52 H new ATOM 0 HG23 ILE B 54 11.776 -4.810 3.550 1.00 0.52 H new ATOM 0 HD11 ILE B 54 11.177 -4.759 -0.791 1.00 0.49 H new ATOM 0 HD12 ILE B 54 12.717 -3.936 -0.445 1.00 0.49 H new ATOM 0 HD13 ILE B 54 12.257 -5.388 0.476 1.00 0.49 H new ATOM 1861 N CYS B 55 11.946 -0.224 1.746 1.00 0.45 N ATOM 1862 CA CYS B 55 11.760 0.983 0.933 1.00 0.44 C ATOM 1863 C CYS B 55 12.411 0.780 -0.427 1.00 0.45 C ATOM 1864 O CYS B 55 13.543 0.316 -0.537 1.00 0.48 O ATOM 1865 CB CYS B 55 12.414 2.180 1.613 1.00 0.44 C ATOM 1866 SG CYS B 55 11.571 2.704 3.147 1.00 0.44 S ATOM 0 H CYS B 55 12.916 -0.532 1.813 1.00 0.45 H new ATOM 0 HA CYS B 55 10.692 1.168 0.818 1.00 0.44 H new ATOM 0 HB2 CYS B 55 13.450 1.934 1.844 1.00 0.44 H new ATOM 0 HB3 CYS B 55 12.433 3.017 0.915 1.00 0.44 H new ATOM 1871 N LEU B 56 11.698 1.229 -1.435 1.00 0.44 N ATOM 1872 CA LEU B 56 12.156 1.092 -2.814 1.00 0.47 C ATOM 1873 C LEU B 56 12.437 2.488 -3.380 1.00 0.48 C ATOM 1874 O LEU B 56 11.824 3.479 -2.973 1.00 0.46 O ATOM 1875 CB LEU B 56 11.022 0.330 -3.517 1.00 0.46 C ATOM 1876 CG LEU B 56 10.661 -1.066 -2.994 1.00 0.46 C ATOM 1877 CD1 LEU B 56 9.678 -1.718 -3.966 1.00 0.47 C ATOM 1878 CD2 LEU B 56 11.885 -1.965 -2.800 1.00 0.49 C ATOM 0 H LEU B 56 10.796 1.694 -1.334 1.00 0.44 H new ATOM 0 HA LEU B 56 13.090 0.545 -2.941 1.00 0.47 H new ATOM 0 HB2 LEU B 56 10.125 0.947 -3.469 1.00 0.46 H new ATOM 0 HB3 LEU B 56 11.287 0.234 -4.570 1.00 0.46 H new ATOM 0 HG LEU B 56 10.208 -0.946 -2.010 1.00 0.46 H new ATOM 0 HD11 LEU B 56 9.414 -2.712 -3.604 1.00 0.47 H new ATOM 0 HD12 LEU B 56 8.778 -1.107 -4.038 1.00 0.47 H new ATOM 0 HD13 LEU B 56 10.140 -1.801 -4.950 1.00 0.47 H new ATOM 0 HD21 LEU B 56 11.566 -2.939 -2.429 1.00 0.49 H new ATOM 0 HD22 LEU B 56 12.399 -2.091 -3.753 1.00 0.49 H new ATOM 0 HD23 LEU B 56 12.563 -1.506 -2.080 1.00 0.49 H new ATOM 1890 N ASP B 57 13.319 2.567 -4.363 1.00 0.50 N ATOM 1891 CA ASP B 57 13.610 3.844 -4.998 1.00 0.52 C ATOM 1892 C ASP B 57 12.900 3.933 -6.352 1.00 0.54 C ATOM 1893 O ASP B 57 13.289 3.249 -7.301 1.00 0.59 O ATOM 1894 CB ASP B 57 15.115 4.032 -5.185 1.00 0.57 C ATOM 1895 CG ASP B 57 15.543 5.472 -4.973 1.00 0.58 C ATOM 1896 OD1 ASP B 57 14.803 6.384 -5.399 1.00 0.60 O ATOM 1897 OD2 ASP B 57 16.621 5.687 -4.379 1.00 0.63 O ATOM 0 H ASP B 57 13.841 1.774 -4.736 1.00 0.50 H new ATOM 0 HA ASP B 57 13.244 4.638 -4.348 1.00 0.52 H new ATOM 0 HB2 ASP B 57 15.649 3.389 -4.486 1.00 0.57 H new ATOM 0 HB3 ASP B 57 15.397 3.715 -6.189 1.00 0.57 H new ATOM 1902 N PRO B 58 11.843 4.777 -6.457 1.00 0.55 N ATOM 1903 CA PRO B 58 11.082 4.960 -7.709 1.00 0.61 C ATOM 1904 C PRO B 58 11.953 5.532 -8.821 1.00 0.69 C ATOM 1905 O PRO B 58 11.591 5.513 -9.997 1.00 0.83 O ATOM 1906 CB PRO B 58 9.984 5.964 -7.331 1.00 0.64 C ATOM 1907 CG PRO B 58 9.939 5.980 -5.843 1.00 0.60 C ATOM 1908 CD PRO B 58 11.316 5.617 -5.368 1.00 0.57 C ATOM 0 HA PRO B 58 10.694 4.015 -8.089 1.00 0.61 H new ATOM 0 HB2 PRO B 58 10.209 6.955 -7.725 1.00 0.64 H new ATOM 0 HB3 PRO B 58 9.022 5.666 -7.748 1.00 0.64 H new ATOM 0 HG2 PRO B 58 9.649 6.964 -5.475 1.00 0.60 H new ATOM 0 HG3 PRO B 58 9.201 5.270 -5.470 1.00 0.60 H new ATOM 0 HD2 PRO B 58 11.932 6.502 -5.209 1.00 0.57 H new ATOM 0 HD3 PRO B 58 11.285 5.076 -4.422 1.00 0.57 H new ATOM 1916 N GLU B 59 13.105 6.044 -8.411 1.00 0.65 N ATOM 1917 CA GLU B 59 14.104 6.627 -9.315 1.00 0.77 C ATOM 1918 C GLU B 59 14.765 5.594 -10.255 1.00 0.82 C ATOM 1919 O GLU B 59 15.402 5.958 -11.242 1.00 0.91 O ATOM 1920 CB GLU B 59 15.160 7.347 -8.469 1.00 0.83 C ATOM 1921 CG GLU B 59 16.106 8.173 -9.342 1.00 1.10 C ATOM 1922 CD GLU B 59 17.137 8.940 -8.523 1.00 1.18 C ATOM 1923 OE1 GLU B 59 17.908 8.274 -7.796 1.00 1.40 O ATOM 1924 OE2 GLU B 59 17.119 10.181 -8.647 1.00 1.28 O ATOM 0 H GLU B 59 13.382 6.070 -7.430 1.00 0.65 H new ATOM 0 HA GLU B 59 13.591 7.328 -9.973 1.00 0.77 H new ATOM 0 HB2 GLU B 59 14.668 7.998 -7.747 1.00 0.83 H new ATOM 0 HB3 GLU B 59 15.733 6.615 -7.900 1.00 0.83 H new ATOM 0 HG2 GLU B 59 16.620 7.513 -10.040 1.00 1.10 H new ATOM 0 HG3 GLU B 59 15.524 8.876 -9.938 1.00 1.10 H new ATOM 1931 N ALA B 60 14.631 4.314 -9.929 1.00 0.80 N ATOM 1932 CA ALA B 60 15.228 3.243 -10.729 1.00 0.88 C ATOM 1933 C ALA B 60 14.173 2.590 -11.643 1.00 0.91 C ATOM 1934 O ALA B 60 13.098 2.209 -11.172 1.00 0.89 O ATOM 1935 CB ALA B 60 15.852 2.233 -9.767 1.00 0.88 C ATOM 0 H ALA B 60 14.113 3.988 -9.113 1.00 0.80 H new ATOM 0 HA ALA B 60 16.000 3.642 -11.387 1.00 0.88 H new ATOM 0 HB1 ALA B 60 16.306 1.421 -10.336 1.00 0.88 H new ATOM 0 HB2 ALA B 60 16.616 2.727 -9.166 1.00 0.88 H new ATOM 0 HB3 ALA B 60 15.080 1.830 -9.112 1.00 0.88 H new ATOM 1941 N PRO B 61 14.529 2.362 -12.913 1.00 0.99 N ATOM 1942 CA PRO B 61 13.627 1.769 -13.921 1.00 1.03 C ATOM 1943 C PRO B 61 13.235 0.319 -13.610 1.00 1.03 C ATOM 1944 O PRO B 61 12.052 -0.012 -13.599 1.00 1.01 O ATOM 1945 CB PRO B 61 14.394 1.878 -15.239 1.00 1.15 C ATOM 1946 CG PRO B 61 15.860 1.810 -14.806 1.00 1.19 C ATOM 1947 CD PRO B 61 15.869 2.594 -13.495 1.00 1.07 C ATOM 0 HA PRO B 61 12.673 2.295 -13.947 1.00 1.03 H new ATOM 0 HB2 PRO B 61 14.139 1.066 -15.920 1.00 1.15 H new ATOM 0 HB3 PRO B 61 14.171 2.811 -15.757 1.00 1.15 H new ATOM 0 HG2 PRO B 61 16.191 0.781 -14.663 1.00 1.19 H new ATOM 0 HG3 PRO B 61 16.521 2.258 -15.548 1.00 1.19 H new ATOM 0 HD2 PRO B 61 16.657 2.243 -12.829 1.00 1.07 H new ATOM 0 HD3 PRO B 61 16.048 3.655 -13.669 1.00 1.07 H new ATOM 1955 N PHE B 62 14.213 -0.475 -13.161 1.00 1.06 N ATOM 1956 CA PHE B 62 13.982 -1.880 -12.754 1.00 1.08 C ATOM 1957 C PHE B 62 12.989 -1.979 -11.591 1.00 0.98 C ATOM 1958 O PHE B 62 12.248 -2.947 -11.466 1.00 0.98 O ATOM 1959 CB PHE B 62 15.294 -2.575 -12.371 1.00 1.15 C ATOM 1960 CG PHE B 62 15.968 -1.961 -11.141 1.00 1.11 C ATOM 1961 CD1 PHE B 62 15.640 -2.412 -9.871 1.00 1.07 C ATOM 1962 CD2 PHE B 62 16.930 -0.973 -11.308 1.00 1.14 C ATOM 1963 CE1 PHE B 62 16.275 -1.879 -8.760 1.00 1.07 C ATOM 1964 CE2 PHE B 62 17.576 -0.450 -10.197 1.00 1.14 C ATOM 1965 CZ PHE B 62 17.242 -0.895 -8.926 1.00 1.10 C ATOM 0 H PHE B 62 15.182 -0.172 -13.067 1.00 1.06 H new ATOM 0 HA PHE B 62 13.554 -2.387 -13.618 1.00 1.08 H new ATOM 0 HB2 PHE B 62 15.096 -3.630 -12.180 1.00 1.15 H new ATOM 0 HB3 PHE B 62 15.982 -2.528 -13.215 1.00 1.15 H new ATOM 0 HD1 PHE B 62 14.890 -3.179 -9.748 1.00 1.07 H new ATOM 0 HD2 PHE B 62 17.174 -0.614 -12.297 1.00 1.14 H new ATOM 0 HE1 PHE B 62 16.019 -2.227 -7.770 1.00 1.07 H new ATOM 0 HE2 PHE B 62 18.339 0.304 -10.322 1.00 1.14 H new ATOM 0 HZ PHE B 62 17.736 -0.475 -8.062 1.00 1.10 H new ATOM 1975 N LEU B 63 12.910 -0.916 -10.804 1.00 0.90 N ATOM 1976 CA LEU B 63 11.979 -0.868 -9.692 1.00 0.80 C ATOM 1977 C LEU B 63 10.573 -0.519 -10.190 1.00 0.83 C ATOM 1978 O LEU B 63 9.576 -0.871 -9.568 1.00 0.83 O ATOM 1979 CB LEU B 63 12.440 0.160 -8.669 1.00 0.71 C ATOM 1980 CG LEU B 63 11.930 -0.076 -7.258 1.00 0.64 C ATOM 1981 CD1 LEU B 63 13.099 -0.095 -6.291 1.00 0.62 C ATOM 1982 CD2 LEU B 63 10.909 0.989 -6.875 1.00 0.62 C ATOM 0 H LEU B 63 13.480 -0.077 -10.917 1.00 0.90 H new ATOM 0 HA LEU B 63 11.949 -1.850 -9.219 1.00 0.80 H new ATOM 0 HB2 LEU B 63 13.530 0.170 -8.650 1.00 0.71 H new ATOM 0 HB3 LEU B 63 12.118 1.148 -8.997 1.00 0.71 H new ATOM 0 HG LEU B 63 11.429 -1.043 -7.212 1.00 0.64 H new ATOM 0 HD11 LEU B 63 12.731 -0.264 -5.279 1.00 0.62 H new ATOM 0 HD12 LEU B 63 13.786 -0.895 -6.566 1.00 0.62 H new ATOM 0 HD13 LEU B 63 13.621 0.861 -6.332 1.00 0.62 H new ATOM 0 HD21 LEU B 63 10.554 0.805 -5.861 1.00 0.62 H new ATOM 0 HD22 LEU B 63 11.375 1.973 -6.923 1.00 0.62 H new ATOM 0 HD23 LEU B 63 10.067 0.952 -7.567 1.00 0.62 H new ATOM 1994 N LYS B 64 10.519 0.173 -11.330 1.00 0.87 N ATOM 1995 CA LYS B 64 9.254 0.580 -11.950 1.00 0.93 C ATOM 1996 C LYS B 64 8.631 -0.587 -12.732 1.00 0.97 C ATOM 1997 O LYS B 64 7.471 -0.541 -13.143 1.00 1.03 O ATOM 1998 CB LYS B 64 9.504 1.778 -12.877 1.00 1.02 C ATOM 1999 CG LYS B 64 8.272 2.251 -13.638 1.00 1.12 C ATOM 2000 CD LYS B 64 8.648 2.970 -14.925 1.00 1.30 C ATOM 2001 CE LYS B 64 9.205 2.013 -15.969 1.00 1.47 C ATOM 2002 NZ LYS B 64 9.622 2.725 -17.210 1.00 1.71 N ATOM 0 H LYS B 64 11.347 0.467 -11.849 1.00 0.87 H new ATOM 0 HA LYS B 64 8.552 0.871 -11.169 1.00 0.93 H new ATOM 0 HB2 LYS B 64 9.890 2.607 -12.284 1.00 1.02 H new ATOM 0 HB3 LYS B 64 10.280 1.511 -13.595 1.00 1.02 H new ATOM 0 HG2 LYS B 64 7.637 1.396 -13.871 1.00 1.12 H new ATOM 0 HG3 LYS B 64 7.687 2.919 -13.005 1.00 1.12 H new ATOM 0 HD2 LYS B 64 7.770 3.476 -15.328 1.00 1.30 H new ATOM 0 HD3 LYS B 64 9.388 3.740 -14.707 1.00 1.30 H new ATOM 0 HE2 LYS B 64 10.059 1.479 -15.553 1.00 1.47 H new ATOM 0 HE3 LYS B 64 8.451 1.266 -16.215 1.00 1.47 H new ATOM 0 HZ1 LYS B 64 9.996 2.038 -17.896 1.00 1.71 H new ATOM 0 HZ2 LYS B 64 8.802 3.214 -17.622 1.00 1.71 H new ATOM 0 HZ3 LYS B 64 10.360 3.421 -16.980 1.00 1.71 H new ATOM 2016 N LYS B 65 9.423 -1.629 -12.923 1.00 0.98 N ATOM 2017 CA LYS B 65 8.990 -2.839 -13.645 1.00 1.04 C ATOM 2018 C LYS B 65 8.124 -3.768 -12.789 1.00 1.02 C ATOM 2019 O LYS B 65 6.954 -3.990 -13.101 1.00 1.07 O ATOM 2020 CB LYS B 65 10.212 -3.602 -14.138 1.00 1.07 C ATOM 2021 CG LYS B 65 10.994 -2.796 -15.174 1.00 1.14 C ATOM 2022 CD LYS B 65 12.153 -3.618 -15.747 1.00 1.20 C ATOM 2023 CE LYS B 65 11.675 -4.837 -16.549 1.00 1.27 C ATOM 2024 NZ LYS B 65 10.890 -4.436 -17.726 1.00 1.36 N ATOM 0 H LYS B 65 10.385 -1.671 -12.587 1.00 0.98 H new ATOM 0 HA LYS B 65 8.377 -2.508 -14.483 1.00 1.04 H new ATOM 0 HB2 LYS B 65 10.860 -3.838 -13.294 1.00 1.07 H new ATOM 0 HB3 LYS B 65 9.899 -4.551 -14.574 1.00 1.07 H new ATOM 0 HG2 LYS B 65 10.328 -2.489 -15.980 1.00 1.14 H new ATOM 0 HG3 LYS B 65 11.381 -1.886 -14.716 1.00 1.14 H new ATOM 0 HD2 LYS B 65 12.762 -2.982 -16.389 1.00 1.20 H new ATOM 0 HD3 LYS B 65 12.793 -3.953 -14.931 1.00 1.20 H new ATOM 0 HE2 LYS B 65 12.536 -5.424 -16.868 1.00 1.27 H new ATOM 0 HE3 LYS B 65 11.070 -5.480 -15.909 1.00 1.27 H new ATOM 0 HZ1 LYS B 65 10.742 -5.261 -18.342 1.00 1.36 H new ATOM 0 HZ2 LYS B 65 9.969 -4.064 -17.419 1.00 1.36 H new ATOM 0 HZ3 LYS B 65 11.403 -3.699 -18.251 1.00 1.36 H new ATOM 2038 N VAL B 66 8.669 -4.173 -11.644 1.00 0.96 N ATOM 2039 CA VAL B 66 7.957 -5.035 -10.709 1.00 0.95 C ATOM 2040 C VAL B 66 6.666 -4.374 -10.202 1.00 0.95 C ATOM 2041 O VAL B 66 5.713 -5.070 -9.848 1.00 0.97 O ATOM 2042 CB VAL B 66 8.846 -5.429 -9.511 1.00 0.92 C ATOM 2043 CG1 VAL B 66 9.992 -6.314 -9.973 1.00 0.93 C ATOM 2044 CG2 VAL B 66 9.382 -4.196 -8.793 1.00 0.91 C ATOM 0 H VAL B 66 9.608 -3.915 -11.342 1.00 0.96 H new ATOM 0 HA VAL B 66 7.692 -5.939 -11.257 1.00 0.95 H new ATOM 0 HB VAL B 66 8.232 -5.988 -8.805 1.00 0.92 H new ATOM 0 HG11 VAL B 66 10.611 -6.584 -9.117 1.00 0.93 H new ATOM 0 HG12 VAL B 66 9.591 -7.218 -10.431 1.00 0.93 H new ATOM 0 HG13 VAL B 66 10.597 -5.775 -10.702 1.00 0.93 H new ATOM 0 HG21 VAL B 66 10.005 -4.506 -7.954 1.00 0.91 H new ATOM 0 HG22 VAL B 66 9.977 -3.601 -9.486 1.00 0.91 H new ATOM 0 HG23 VAL B 66 8.548 -3.598 -8.425 1.00 0.91 H new ATOM 2054 N ILE B 67 6.629 -3.033 -10.172 1.00 0.95 N ATOM 2055 CA ILE B 67 5.428 -2.325 -9.730 1.00 0.97 C ATOM 2056 C ILE B 67 4.401 -2.274 -10.857 1.00 1.02 C ATOM 2057 O ILE B 67 3.211 -2.087 -10.612 1.00 1.08 O ATOM 2058 CB ILE B 67 5.709 -0.895 -9.207 1.00 0.99 C ATOM 2059 CG1 ILE B 67 6.162 0.029 -10.339 1.00 1.00 C ATOM 2060 CG2 ILE B 67 6.744 -0.934 -8.093 1.00 0.98 C ATOM 2061 CD1 ILE B 67 6.290 1.480 -9.922 1.00 1.07 C ATOM 0 H ILE B 67 7.405 -2.430 -10.444 1.00 0.95 H new ATOM 0 HA ILE B 67 5.033 -2.892 -8.887 1.00 0.97 H new ATOM 0 HB ILE B 67 4.780 -0.492 -8.804 1.00 0.99 H new ATOM 0 HG12 ILE B 67 7.124 -0.318 -10.717 1.00 1.00 H new ATOM 0 HG13 ILE B 67 5.451 -0.043 -11.162 1.00 1.00 H new ATOM 0 HG21 ILE B 67 6.932 0.078 -7.735 1.00 0.98 H new ATOM 0 HG22 ILE B 67 6.372 -1.546 -7.272 1.00 0.98 H new ATOM 0 HG23 ILE B 67 7.672 -1.362 -8.473 1.00 0.98 H new ATOM 0 HD11 ILE B 67 6.615 2.076 -10.775 1.00 1.07 H new ATOM 0 HD12 ILE B 67 5.324 1.844 -9.571 1.00 1.07 H new ATOM 0 HD13 ILE B 67 7.023 1.565 -9.120 1.00 1.07 H new ATOM 2073 N GLN B 68 4.867 -2.414 -12.098 1.00 1.04 N ATOM 2074 CA GLN B 68 3.948 -2.465 -13.249 1.00 1.12 C ATOM 2075 C GLN B 68 3.189 -3.801 -13.273 1.00 1.11 C ATOM 2076 O GLN B 68 1.971 -3.825 -13.443 1.00 1.15 O ATOM 2077 CB GLN B 68 4.733 -2.290 -14.541 1.00 1.19 C ATOM 2078 CG GLN B 68 3.792 -2.145 -15.729 1.00 1.30 C ATOM 2079 CD GLN B 68 4.586 -1.941 -17.013 1.00 1.39 C ATOM 2080 OE1 GLN B 68 5.462 -2.701 -17.393 1.00 1.39 O ATOM 2081 NE2 GLN B 68 4.229 -0.890 -17.713 1.00 1.52 N ATOM 0 H GLN B 68 5.856 -2.493 -12.336 1.00 1.04 H new ATOM 0 HA GLN B 68 3.223 -1.657 -13.155 1.00 1.12 H new ATOM 0 HB2 GLN B 68 5.372 -1.410 -14.468 1.00 1.19 H new ATOM 0 HB3 GLN B 68 5.388 -3.148 -14.693 1.00 1.19 H new ATOM 0 HG2 GLN B 68 3.168 -3.034 -15.817 1.00 1.30 H new ATOM 0 HG3 GLN B 68 3.122 -1.300 -15.570 1.00 1.30 H new ATOM 0 HE21 GLN B 68 3.493 -0.274 -17.368 1.00 1.52 H new ATOM 0 HE22 GLN B 68 4.687 -0.689 -18.602 1.00 1.52 H new ATOM 2090 N LYS B 69 3.914 -4.889 -13.001 1.00 1.10 N ATOM 2091 CA LYS B 69 3.347 -6.241 -12.997 1.00 1.13 C ATOM 2092 C LYS B 69 2.241 -6.430 -11.949 1.00 1.15 C ATOM 2093 O LYS B 69 1.352 -7.259 -12.137 1.00 1.23 O ATOM 2094 CB LYS B 69 4.446 -7.274 -12.753 1.00 1.11 C ATOM 2095 CG LYS B 69 5.446 -7.391 -13.891 1.00 1.16 C ATOM 2096 CD LYS B 69 6.437 -8.517 -13.643 1.00 1.24 C ATOM 2097 CE LYS B 69 7.366 -8.714 -14.828 1.00 1.40 C ATOM 2098 NZ LYS B 69 8.282 -9.872 -14.627 1.00 1.61 N ATOM 0 H LYS B 69 4.909 -4.858 -12.778 1.00 1.10 H new ATOM 0 HA LYS B 69 2.896 -6.385 -13.979 1.00 1.13 H new ATOM 0 HB2 LYS B 69 4.980 -7.013 -11.839 1.00 1.11 H new ATOM 0 HB3 LYS B 69 3.985 -8.248 -12.586 1.00 1.11 H new ATOM 0 HG2 LYS B 69 4.916 -7.570 -14.827 1.00 1.16 H new ATOM 0 HG3 LYS B 69 5.983 -6.449 -14.004 1.00 1.16 H new ATOM 0 HD2 LYS B 69 7.025 -8.296 -12.752 1.00 1.24 H new ATOM 0 HD3 LYS B 69 5.896 -9.442 -13.446 1.00 1.24 H new ATOM 0 HE2 LYS B 69 6.775 -8.870 -15.731 1.00 1.40 H new ATOM 0 HE3 LYS B 69 7.953 -7.809 -14.984 1.00 1.40 H new ATOM 0 HZ1 LYS B 69 8.900 -9.974 -15.457 1.00 1.61 H new ATOM 0 HZ2 LYS B 69 8.864 -9.712 -13.780 1.00 1.61 H new ATOM 0 HZ3 LYS B 69 7.722 -10.740 -14.504 1.00 1.61 H new ATOM 2112 N ILE B 70 2.293 -5.678 -10.847 1.00 1.14 N ATOM 2113 CA ILE B 70 1.280 -5.813 -9.794 1.00 1.20 C ATOM 2114 C ILE B 70 0.006 -5.035 -10.127 1.00 1.31 C ATOM 2115 O ILE B 70 -0.992 -5.132 -9.411 1.00 1.43 O ATOM 2116 CB ILE B 70 1.804 -5.362 -8.412 1.00 1.18 C ATOM 2117 CG1 ILE B 70 2.176 -3.878 -8.424 1.00 1.17 C ATOM 2118 CG2 ILE B 70 2.997 -6.210 -7.997 1.00 1.29 C ATOM 2119 CD1 ILE B 70 2.666 -3.360 -7.086 1.00 1.30 C ATOM 0 H ILE B 70 3.013 -4.980 -10.660 1.00 1.14 H new ATOM 0 HA ILE B 70 1.046 -6.876 -9.745 1.00 1.20 H new ATOM 0 HB ILE B 70 1.006 -5.502 -7.682 1.00 1.18 H new ATOM 0 HG12 ILE B 70 2.951 -3.713 -9.173 1.00 1.17 H new ATOM 0 HG13 ILE B 70 1.306 -3.297 -8.732 1.00 1.17 H new ATOM 0 HG21 ILE B 70 3.356 -5.881 -7.022 1.00 1.29 H new ATOM 0 HG22 ILE B 70 2.697 -7.256 -7.939 1.00 1.29 H new ATOM 0 HG23 ILE B 70 3.794 -6.101 -8.732 1.00 1.29 H new ATOM 0 HD11 ILE B 70 2.910 -2.301 -7.173 1.00 1.30 H new ATOM 0 HD12 ILE B 70 1.885 -3.492 -6.337 1.00 1.30 H new ATOM 0 HD13 ILE B 70 3.555 -3.914 -6.785 1.00 1.30 H new