USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1150 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 99 LYS NZ :NH3+ -151:sc= 1.22 (180deg=-0.355) USER MOD Set 1.2: B 100 ASN : amide:sc= 1.06 K(o=2.3,f=-8.5!) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -0.34 K(o=0.012,f=-4.5) USER MOD Set 2.2: B 109 GLN : amide:sc= 0.352 K(o=0.012,f=-1.9) USER MOD Set 3.1: A 49 GLN : amide:sc= -0.937 K(o=-0.94,f=-2.9!) USER MOD Set 3.2: B 105 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 156:sc= 0 (180deg=-0.335) USER MOD Single : A 1 MET N :NH3+ 139:sc= 1.29 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 0.91 (180deg=-0.448!) USER MOD Single : A 7 THR OG1 : rot 103:sc= -0.778 USER MOD Single : A 9 THR OG1 : rot 55:sc= 0.648 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= -0.076 (180deg=-0.425) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -98:sc= 0.472 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0831 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-1.3!) USER MOD Single : A 27 LYS NZ :NH3+ 151:sc= 1.4 (180deg=0.875) USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= 1.55 (180deg=-0.312) USER MOD Single : A 31 GLN : amide:sc= -0.319 K(o=-0.32,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ -115:sc= 1.3 (180deg=-0.337) USER MOD Single : A 40 GLN : amide:sc= 1.18 K(o=1.2,f=-0.059) USER MOD Single : A 41 GLN : amide:sc= -0.035 K(o=-0.035,f=-4.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0615 USER MOD Single : A 57 SER OG : rot 180:sc= 0.123 USER MOD Single : A 59 TYR OH : rot -70:sc= 0.663 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -96:sc= 1.39 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 56 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0167) USER MOD Single : B 59 TYR OH : rot 150:sc= 0 USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0.103 USER MOD Single : B 73 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ -120:sc= 0.615 (180deg=-0.145) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 84 ASN : amide:sc= 0.953 K(o=0.95,f=-1.6) USER MOD Single : B 85 THR OG1 : rot -111:sc= 1.31 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 92 THR OG1 : rot -40:sc= 1.27 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : B 103 ASN : amide:sc= -0.147 K(o=-0.15,f=-5!) USER MOD Single : B 112 LYS NZ :NH3+ 169:sc= 2.12 (180deg=1.98) USER MOD Single : B 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 118 THR OG1 : rot 180:sc= 0.0876 USER MOD Single : B 119 LYS NZ :NH3+ 131:sc= 1.17 (180deg=0.688) USER MOD Single : B 121 GLN : amide:sc= -0.301 X(o=-0.3,f=-0.0081) USER MOD Single : B 122 MET CE :methyl -161:sc= -0.0289 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.482 4.261 -8.380 1.00 1.19 N ATOM 2 CA MET A 1 -19.155 4.842 -8.682 1.00 1.06 C ATOM 3 C MET A 1 -18.121 3.735 -8.838 1.00 1.03 C ATOM 4 O MET A 1 -18.350 2.596 -8.425 1.00 1.13 O ATOM 5 CB MET A 1 -18.720 5.814 -7.578 1.00 1.01 C ATOM 6 CG MET A 1 -18.548 5.162 -6.217 1.00 1.07 C ATOM 7 SD MET A 1 -17.470 6.105 -5.118 1.00 1.25 S ATOM 8 CE MET A 1 -18.324 7.680 -5.050 1.00 1.32 C ATOM 0 H1 MET A 1 -20.956 4.836 -7.655 1.00 1.19 H new ATOM 0 H2 MET A 1 -21.060 4.249 -9.244 1.00 1.19 H new ATOM 0 H3 MET A 1 -20.364 3.289 -8.029 1.00 1.19 H new ATOM 0 HA MET A 1 -19.230 5.396 -9.618 1.00 1.06 H new ATOM 0 HB2 MET A 1 -17.778 6.280 -7.868 1.00 1.01 H new ATOM 0 HB3 MET A 1 -19.459 6.611 -7.497 1.00 1.01 H new ATOM 0 HG2 MET A 1 -19.525 5.047 -5.748 1.00 1.07 H new ATOM 0 HG3 MET A 1 -18.138 4.161 -6.349 1.00 1.07 H new ATOM 0 HE1 MET A 1 -18.055 8.200 -4.131 1.00 1.32 H new ATOM 0 HE2 MET A 1 -18.036 8.287 -5.908 1.00 1.32 H new ATOM 0 HE3 MET A 1 -19.401 7.511 -5.070 1.00 1.32 H new ATOM 20 N GLN A 2 -16.988 4.070 -9.429 1.00 0.93 N ATOM 21 CA GLN A 2 -15.925 3.101 -9.632 1.00 0.89 C ATOM 22 C GLN A 2 -14.643 3.597 -8.986 1.00 0.85 C ATOM 23 O GLN A 2 -14.164 4.687 -9.302 1.00 0.93 O ATOM 24 CB GLN A 2 -15.701 2.854 -11.123 1.00 0.94 C ATOM 25 CG GLN A 2 -16.777 1.995 -11.761 1.00 1.18 C ATOM 26 CD GLN A 2 -16.769 2.082 -13.270 1.00 1.18 C ATOM 27 OE1 GLN A 2 -16.072 1.329 -13.944 1.00 1.35 O ATOM 28 NE2 GLN A 2 -17.547 3.004 -13.812 1.00 1.61 N ATOM 0 H GLN A 2 -16.780 5.006 -9.777 1.00 0.93 H new ATOM 0 HA GLN A 2 -16.218 2.160 -9.167 1.00 0.89 H new ATOM 0 HB2 GLN A 2 -15.658 3.813 -11.640 1.00 0.94 H new ATOM 0 HB3 GLN A 2 -14.733 2.373 -11.262 1.00 0.94 H new ATOM 0 HG2 GLN A 2 -16.635 0.957 -11.460 1.00 1.18 H new ATOM 0 HG3 GLN A 2 -17.753 2.305 -11.388 1.00 1.18 H new ATOM 0 HE21 GLN A 2 -18.111 3.610 -13.216 1.00 1.61 H new ATOM 0 HE22 GLN A 2 -17.583 3.109 -14.826 1.00 1.61 H new ATOM 37 N ILE A 3 -14.100 2.804 -8.076 1.00 0.76 N ATOM 38 CA ILE A 3 -12.874 3.174 -7.380 1.00 0.72 C ATOM 39 C ILE A 3 -11.699 2.335 -7.871 1.00 0.68 C ATOM 40 O ILE A 3 -11.879 1.217 -8.362 1.00 0.66 O ATOM 41 CB ILE A 3 -13.004 3.030 -5.840 1.00 0.69 C ATOM 42 CG1 ILE A 3 -13.019 1.552 -5.405 1.00 0.60 C ATOM 43 CG2 ILE A 3 -14.248 3.754 -5.335 1.00 0.85 C ATOM 44 CD1 ILE A 3 -14.364 0.861 -5.544 1.00 0.78 C ATOM 0 H ILE A 3 -14.487 1.901 -7.801 1.00 0.76 H new ATOM 0 HA ILE A 3 -12.693 4.225 -7.606 1.00 0.72 H new ATOM 0 HB ILE A 3 -12.126 3.494 -5.391 1.00 0.69 H new ATOM 0 HG12 ILE A 3 -12.283 1.006 -5.996 1.00 0.60 H new ATOM 0 HG13 ILE A 3 -12.701 1.491 -4.364 1.00 0.60 H new ATOM 0 HG21 ILE A 3 -14.321 3.641 -4.253 1.00 0.85 H new ATOM 0 HG22 ILE A 3 -14.180 4.813 -5.585 1.00 0.85 H new ATOM 0 HG23 ILE A 3 -15.134 3.326 -5.805 1.00 0.85 H new ATOM 0 HD11 ILE A 3 -14.277 -0.174 -5.214 1.00 0.78 H new ATOM 0 HD12 ILE A 3 -15.103 1.376 -4.930 1.00 0.78 H new ATOM 0 HD13 ILE A 3 -14.679 0.884 -6.587 1.00 0.78 H new ATOM 56 N PHE A 4 -10.500 2.885 -7.743 1.00 0.68 N ATOM 57 CA PHE A 4 -9.293 2.196 -8.164 1.00 0.66 C ATOM 58 C PHE A 4 -8.480 1.786 -6.948 1.00 0.61 C ATOM 59 O PHE A 4 -8.041 2.632 -6.165 1.00 0.70 O ATOM 60 CB PHE A 4 -8.457 3.090 -9.081 1.00 0.73 C ATOM 61 CG PHE A 4 -9.158 3.456 -10.356 1.00 0.82 C ATOM 62 CD1 PHE A 4 -9.099 2.621 -11.460 1.00 1.03 C ATOM 63 CD2 PHE A 4 -9.884 4.633 -10.451 1.00 0.88 C ATOM 64 CE1 PHE A 4 -9.748 2.952 -12.632 1.00 1.12 C ATOM 65 CE2 PHE A 4 -10.536 4.970 -11.622 1.00 0.96 C ATOM 66 CZ PHE A 4 -10.469 4.127 -12.713 1.00 1.00 C ATOM 0 H PHE A 4 -10.339 3.812 -7.348 1.00 0.68 H new ATOM 0 HA PHE A 4 -9.577 1.302 -8.720 1.00 0.66 H new ATOM 0 HB2 PHE A 4 -8.193 4.002 -8.545 1.00 0.73 H new ATOM 0 HB3 PHE A 4 -7.524 2.580 -9.321 1.00 0.73 H new ATOM 0 HD1 PHE A 4 -8.538 1.700 -11.403 1.00 1.03 H new ATOM 0 HD2 PHE A 4 -9.941 5.295 -9.599 1.00 0.88 H new ATOM 0 HE1 PHE A 4 -9.692 2.292 -13.485 1.00 1.12 H new ATOM 0 HE2 PHE A 4 -11.097 5.891 -11.683 1.00 0.96 H new ATOM 0 HZ PHE A 4 -10.980 4.386 -13.629 1.00 1.00 H new ATOM 76 N VAL A 5 -8.287 0.492 -6.779 1.00 0.53 N ATOM 77 CA VAL A 5 -7.538 -0.006 -5.644 1.00 0.51 C ATOM 78 C VAL A 5 -6.262 -0.723 -6.086 1.00 0.51 C ATOM 79 O VAL A 5 -6.276 -1.541 -7.007 1.00 0.53 O ATOM 80 CB VAL A 5 -8.409 -0.937 -4.764 1.00 0.51 C ATOM 81 CG1 VAL A 5 -8.953 -2.109 -5.566 1.00 0.56 C ATOM 82 CG2 VAL A 5 -7.626 -1.428 -3.559 1.00 0.54 C ATOM 0 H VAL A 5 -8.637 -0.229 -7.410 1.00 0.53 H new ATOM 0 HA VAL A 5 -7.247 0.857 -5.044 1.00 0.51 H new ATOM 0 HB VAL A 5 -9.259 -0.355 -4.408 1.00 0.51 H new ATOM 0 HG11 VAL A 5 -9.560 -2.742 -4.919 1.00 0.56 H new ATOM 0 HG12 VAL A 5 -9.566 -1.735 -6.386 1.00 0.56 H new ATOM 0 HG13 VAL A 5 -8.124 -2.690 -5.969 1.00 0.56 H new ATOM 0 HG21 VAL A 5 -8.258 -2.080 -2.956 1.00 0.54 H new ATOM 0 HG22 VAL A 5 -6.750 -1.982 -3.896 1.00 0.54 H new ATOM 0 HG23 VAL A 5 -7.308 -0.575 -2.960 1.00 0.54 H new ATOM 92 N LYS A 6 -5.154 -0.376 -5.444 1.00 0.54 N ATOM 93 CA LYS A 6 -3.864 -0.984 -5.744 1.00 0.58 C ATOM 94 C LYS A 6 -3.477 -1.943 -4.623 1.00 0.56 C ATOM 95 O LYS A 6 -3.499 -1.570 -3.451 1.00 0.51 O ATOM 96 CB LYS A 6 -2.791 0.101 -5.906 1.00 0.63 C ATOM 97 CG LYS A 6 -3.094 1.098 -7.020 1.00 1.21 C ATOM 98 CD LYS A 6 -2.346 2.411 -6.825 1.00 1.17 C ATOM 99 CE LYS A 6 -0.882 2.298 -7.216 1.00 1.38 C ATOM 100 NZ LYS A 6 -0.154 3.576 -7.005 1.00 1.38 N ATOM 0 H LYS A 6 -5.123 0.328 -4.707 1.00 0.54 H new ATOM 0 HA LYS A 6 -3.940 -1.539 -6.679 1.00 0.58 H new ATOM 0 HB2 LYS A 6 -2.687 0.641 -4.965 1.00 0.63 H new ATOM 0 HB3 LYS A 6 -1.832 -0.376 -6.107 1.00 0.63 H new ATOM 0 HG2 LYS A 6 -2.820 0.663 -7.981 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -4.166 1.292 -7.052 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -2.821 3.190 -7.421 1.00 1.17 H new ATOM 0 HD3 LYS A 6 -2.420 2.718 -5.782 1.00 1.17 H new ATOM 0 HE2 LYS A 6 -0.409 1.510 -6.630 1.00 1.38 H new ATOM 0 HE3 LYS A 6 -0.807 2.006 -8.263 1.00 1.38 H new ATOM 0 HZ1 LYS A 6 0.609 3.661 -7.707 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.814 4.373 -7.112 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.253 3.590 -6.048 1.00 1.38 H new ATOM 114 N THR A 7 -3.139 -3.173 -4.984 1.00 0.61 N ATOM 115 CA THR A 7 -2.761 -4.191 -4.008 1.00 0.62 C ATOM 116 C THR A 7 -1.313 -4.021 -3.532 1.00 0.63 C ATOM 117 O THR A 7 -0.684 -2.984 -3.761 1.00 0.74 O ATOM 118 CB THR A 7 -2.936 -5.596 -4.610 1.00 0.69 C ATOM 119 OG1 THR A 7 -2.906 -5.517 -6.039 1.00 1.05 O ATOM 120 CG2 THR A 7 -4.244 -6.224 -4.159 1.00 0.90 C ATOM 0 H THR A 7 -3.118 -3.494 -5.952 1.00 0.61 H new ATOM 0 HA THR A 7 -3.418 -4.070 -3.147 1.00 0.62 H new ATOM 0 HB THR A 7 -2.116 -6.223 -4.260 1.00 0.69 H new ATOM 0 HG1 THR A 7 -2.033 -5.820 -6.365 1.00 1.05 H new ATOM 0 HG21 THR A 7 -4.342 -7.216 -4.599 1.00 0.90 H new ATOM 0 HG22 THR A 7 -4.252 -6.307 -3.072 1.00 0.90 H new ATOM 0 HG23 THR A 7 -5.077 -5.600 -4.482 1.00 0.90 H new ATOM 128 N LEU A 8 -0.789 -5.055 -2.872 1.00 0.62 N ATOM 129 CA LEU A 8 0.576 -5.037 -2.353 1.00 0.65 C ATOM 130 C LEU A 8 1.590 -4.997 -3.489 1.00 0.67 C ATOM 131 O LEU A 8 2.543 -4.224 -3.456 1.00 0.73 O ATOM 132 CB LEU A 8 0.834 -6.271 -1.478 1.00 0.72 C ATOM 133 CG LEU A 8 0.194 -6.248 -0.086 1.00 0.84 C ATOM 134 CD1 LEU A 8 -1.297 -6.550 -0.163 1.00 1.54 C ATOM 135 CD2 LEU A 8 0.890 -7.254 0.824 1.00 0.94 C ATOM 0 H LEU A 8 -1.295 -5.920 -2.684 1.00 0.62 H new ATOM 0 HA LEU A 8 0.691 -4.137 -1.748 1.00 0.65 H new ATOM 0 HB2 LEU A 8 0.472 -7.151 -2.009 1.00 0.72 H new ATOM 0 HB3 LEU A 8 1.911 -6.390 -1.360 1.00 0.72 H new ATOM 0 HG LEU A 8 0.314 -5.247 0.329 1.00 0.84 H new ATOM 0 HD11 LEU A 8 -1.725 -6.527 0.839 1.00 1.54 H new ATOM 0 HD12 LEU A 8 -1.788 -5.801 -0.785 1.00 1.54 H new ATOM 0 HD13 LEU A 8 -1.446 -7.538 -0.599 1.00 1.54 H new ATOM 0 HD21 LEU A 8 0.429 -7.231 1.811 1.00 0.94 H new ATOM 0 HD22 LEU A 8 0.794 -8.254 0.402 1.00 0.94 H new ATOM 0 HD23 LEU A 8 1.946 -6.997 0.910 1.00 0.94 H new ATOM 147 N THR A 9 1.355 -5.823 -4.500 1.00 0.67 N ATOM 148 CA THR A 9 2.239 -5.907 -5.658 1.00 0.74 C ATOM 149 C THR A 9 2.109 -4.669 -6.551 1.00 0.75 C ATOM 150 O THR A 9 2.943 -4.430 -7.427 1.00 0.90 O ATOM 151 CB THR A 9 1.948 -7.190 -6.480 1.00 0.80 C ATOM 152 OG1 THR A 9 2.633 -7.155 -7.736 1.00 1.26 O ATOM 153 CG2 THR A 9 0.458 -7.361 -6.727 1.00 0.91 C ATOM 0 H THR A 9 0.552 -6.450 -4.542 1.00 0.67 H new ATOM 0 HA THR A 9 3.263 -5.952 -5.286 1.00 0.74 H new ATOM 0 HB THR A 9 2.308 -8.037 -5.895 1.00 0.80 H new ATOM 0 HG1 THR A 9 3.589 -7.006 -7.583 1.00 1.26 H new ATOM 0 HG21 THR A 9 0.287 -8.269 -7.305 1.00 0.91 H new ATOM 0 HG22 THR A 9 -0.063 -7.435 -5.772 1.00 0.91 H new ATOM 0 HG23 THR A 9 0.080 -6.502 -7.281 1.00 0.91 H new ATOM 161 N GLY A 10 1.068 -3.875 -6.320 1.00 0.71 N ATOM 162 CA GLY A 10 0.863 -2.677 -7.112 1.00 0.75 C ATOM 163 C GLY A 10 -0.143 -2.884 -8.226 1.00 0.76 C ATOM 164 O GLY A 10 -0.256 -2.056 -9.130 1.00 0.89 O ATOM 0 H GLY A 10 0.364 -4.040 -5.600 1.00 0.71 H new ATOM 0 HA2 GLY A 10 0.521 -1.870 -6.463 1.00 0.75 H new ATOM 0 HA3 GLY A 10 1.814 -2.361 -7.540 1.00 0.75 H new ATOM 168 N LYS A 11 -0.871 -3.987 -8.162 1.00 0.82 N ATOM 169 CA LYS A 11 -1.875 -4.301 -9.169 1.00 0.85 C ATOM 170 C LYS A 11 -3.098 -3.417 -8.956 1.00 0.77 C ATOM 171 O LYS A 11 -3.597 -3.307 -7.837 1.00 0.78 O ATOM 172 CB LYS A 11 -2.258 -5.781 -9.088 1.00 0.90 C ATOM 173 CG LYS A 11 -2.884 -6.327 -10.358 1.00 0.96 C ATOM 174 CD LYS A 11 -3.194 -7.811 -10.221 1.00 1.09 C ATOM 175 CE LYS A 11 -3.587 -8.429 -11.553 1.00 1.43 C ATOM 176 NZ LYS A 11 -2.482 -8.363 -12.549 1.00 1.63 N ATOM 0 H LYS A 11 -0.786 -4.683 -7.421 1.00 0.82 H new ATOM 0 HA LYS A 11 -1.467 -4.109 -10.161 1.00 0.85 H new ATOM 0 HB2 LYS A 11 -1.367 -6.364 -8.855 1.00 0.90 H new ATOM 0 HB3 LYS A 11 -2.956 -5.921 -8.262 1.00 0.90 H new ATOM 0 HG2 LYS A 11 -3.800 -5.780 -10.580 1.00 0.96 H new ATOM 0 HG3 LYS A 11 -2.207 -6.170 -11.198 1.00 0.96 H new ATOM 0 HD2 LYS A 11 -2.322 -8.330 -9.823 1.00 1.09 H new ATOM 0 HD3 LYS A 11 -4.003 -7.949 -9.503 1.00 1.09 H new ATOM 0 HE2 LYS A 11 -3.874 -9.469 -11.399 1.00 1.43 H new ATOM 0 HE3 LYS A 11 -4.462 -7.912 -11.948 1.00 1.43 H new ATOM 0 HZ1 LYS A 11 -2.664 -9.043 -13.315 1.00 1.63 H new ATOM 0 HZ2 LYS A 11 -2.428 -7.403 -12.944 1.00 1.63 H new ATOM 0 HZ3 LYS A 11 -1.582 -8.598 -12.085 1.00 1.63 H new ATOM 190 N THR A 12 -3.564 -2.780 -10.018 1.00 0.85 N ATOM 191 CA THR A 12 -4.717 -1.896 -9.923 1.00 0.80 C ATOM 192 C THR A 12 -6.002 -2.612 -10.341 1.00 0.81 C ATOM 193 O THR A 12 -6.094 -3.156 -11.444 1.00 0.91 O ATOM 194 CB THR A 12 -4.515 -0.644 -10.794 1.00 0.85 C ATOM 195 OG1 THR A 12 -3.135 -0.245 -10.750 1.00 0.90 O ATOM 196 CG2 THR A 12 -5.401 0.501 -10.315 1.00 0.84 C ATOM 0 H THR A 12 -3.164 -2.857 -10.953 1.00 0.85 H new ATOM 0 HA THR A 12 -4.813 -1.594 -8.880 1.00 0.80 H new ATOM 0 HB THR A 12 -4.794 -0.886 -11.820 1.00 0.85 H new ATOM 0 HG1 THR A 12 -3.007 0.551 -11.306 1.00 0.90 H new ATOM 0 HG21 THR A 12 -5.240 1.375 -10.947 1.00 0.84 H new ATOM 0 HG22 THR A 12 -6.447 0.200 -10.372 1.00 0.84 H new ATOM 0 HG23 THR A 12 -5.150 0.748 -9.283 1.00 0.84 H new ATOM 204 N ILE A 13 -6.984 -2.620 -9.446 1.00 0.72 N ATOM 205 CA ILE A 13 -8.265 -3.255 -9.714 1.00 0.74 C ATOM 206 C ILE A 13 -9.378 -2.216 -9.636 1.00 0.71 C ATOM 207 O ILE A 13 -9.328 -1.314 -8.799 1.00 0.64 O ATOM 208 CB ILE A 13 -8.567 -4.398 -8.713 1.00 0.72 C ATOM 209 CG1 ILE A 13 -7.317 -5.245 -8.458 1.00 0.74 C ATOM 210 CG2 ILE A 13 -9.690 -5.280 -9.239 1.00 0.80 C ATOM 211 CD1 ILE A 13 -6.669 -4.979 -7.117 1.00 0.85 C ATOM 0 H ILE A 13 -6.914 -2.190 -8.524 1.00 0.72 H new ATOM 0 HA ILE A 13 -8.215 -3.686 -10.714 1.00 0.74 H new ATOM 0 HB ILE A 13 -8.879 -3.947 -7.771 1.00 0.72 H new ATOM 0 HG12 ILE A 13 -7.584 -6.300 -8.520 1.00 0.74 H new ATOM 0 HG13 ILE A 13 -6.591 -5.053 -9.248 1.00 0.74 H new ATOM 0 HG21 ILE A 13 -9.891 -6.078 -8.525 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -10.590 -4.680 -9.375 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -9.395 -5.714 -10.194 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -5.790 -5.614 -7.005 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -6.370 -3.932 -7.058 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -7.379 -5.199 -6.320 1.00 0.85 H new ATOM 223 N THR A 14 -10.365 -2.334 -10.512 1.00 0.80 N ATOM 224 CA THR A 14 -11.485 -1.402 -10.535 1.00 0.81 C ATOM 225 C THR A 14 -12.773 -2.105 -10.118 1.00 0.78 C ATOM 226 O THR A 14 -13.226 -3.040 -10.780 1.00 0.83 O ATOM 227 CB THR A 14 -11.659 -0.792 -11.940 1.00 0.94 C ATOM 228 OG1 THR A 14 -10.382 -0.390 -12.454 1.00 1.01 O ATOM 229 CG2 THR A 14 -12.597 0.409 -11.903 1.00 1.07 C ATOM 0 H THR A 14 -10.414 -3.068 -11.219 1.00 0.80 H new ATOM 0 HA THR A 14 -11.271 -0.601 -9.828 1.00 0.81 H new ATOM 0 HB THR A 14 -12.096 -1.550 -12.590 1.00 0.94 H new ATOM 0 HG1 THR A 14 -10.259 0.571 -12.309 1.00 1.01 H new ATOM 0 HG21 THR A 14 -12.702 0.820 -12.907 1.00 1.07 H new ATOM 0 HG22 THR A 14 -13.574 0.096 -11.535 1.00 1.07 H new ATOM 0 HG23 THR A 14 -12.187 1.171 -11.240 1.00 1.07 H new ATOM 237 N LEU A 15 -13.358 -1.660 -9.014 1.00 0.74 N ATOM 238 CA LEU A 15 -14.588 -2.259 -8.511 1.00 0.75 C ATOM 239 C LEU A 15 -15.776 -1.328 -8.718 1.00 0.79 C ATOM 240 O LEU A 15 -15.673 -0.116 -8.513 1.00 0.81 O ATOM 241 CB LEU A 15 -14.449 -2.601 -7.021 1.00 0.74 C ATOM 242 CG LEU A 15 -14.195 -4.080 -6.697 1.00 0.74 C ATOM 243 CD1 LEU A 15 -15.329 -4.951 -7.218 1.00 0.97 C ATOM 244 CD2 LEU A 15 -12.864 -4.541 -7.275 1.00 0.93 C ATOM 0 H LEU A 15 -13.002 -0.888 -8.450 1.00 0.74 H new ATOM 0 HA LEU A 15 -14.765 -3.176 -9.073 1.00 0.75 H new ATOM 0 HB2 LEU A 15 -13.631 -2.012 -6.607 1.00 0.74 H new ATOM 0 HB3 LEU A 15 -15.359 -2.287 -6.509 1.00 0.74 H new ATOM 0 HG LEU A 15 -14.153 -4.183 -5.613 1.00 0.74 H new ATOM 0 HD11 LEU A 15 -15.127 -5.995 -6.977 1.00 0.97 H new ATOM 0 HD12 LEU A 15 -16.266 -4.646 -6.752 1.00 0.97 H new ATOM 0 HD13 LEU A 15 -15.408 -4.837 -8.299 1.00 0.97 H new ATOM 0 HD21 LEU A 15 -12.706 -5.592 -7.032 1.00 0.93 H new ATOM 0 HD22 LEU A 15 -12.875 -4.416 -8.358 1.00 0.93 H new ATOM 0 HD23 LEU A 15 -12.057 -3.945 -6.849 1.00 0.93 H new ATOM 256 N GLU A 16 -16.896 -1.903 -9.138 1.00 0.84 N ATOM 257 CA GLU A 16 -18.110 -1.137 -9.366 1.00 0.90 C ATOM 258 C GLU A 16 -19.029 -1.233 -8.144 1.00 0.83 C ATOM 259 O GLU A 16 -19.605 -2.285 -7.855 1.00 0.87 O ATOM 260 CB GLU A 16 -18.831 -1.614 -10.644 1.00 1.04 C ATOM 261 CG GLU A 16 -19.160 -3.108 -10.685 1.00 1.10 C ATOM 262 CD GLU A 16 -17.961 -3.989 -10.979 1.00 1.18 C ATOM 263 OE1 GLU A 16 -17.666 -4.231 -12.170 1.00 1.26 O ATOM 264 OE2 GLU A 16 -17.309 -4.455 -10.022 1.00 1.26 O ATOM 0 H GLU A 16 -16.986 -2.901 -9.328 1.00 0.84 H new ATOM 0 HA GLU A 16 -17.840 -0.091 -9.513 1.00 0.90 H new ATOM 0 HB2 GLU A 16 -19.758 -1.051 -10.751 1.00 1.04 H new ATOM 0 HB3 GLU A 16 -18.209 -1.371 -11.505 1.00 1.04 H new ATOM 0 HG2 GLU A 16 -19.590 -3.403 -9.728 1.00 1.10 H new ATOM 0 HG3 GLU A 16 -19.923 -3.282 -11.444 1.00 1.10 H new ATOM 271 N VAL A 17 -19.145 -0.135 -7.410 1.00 0.79 N ATOM 272 CA VAL A 17 -19.977 -0.110 -6.213 1.00 0.77 C ATOM 273 C VAL A 17 -20.859 1.134 -6.173 1.00 0.78 C ATOM 274 O VAL A 17 -20.474 2.204 -6.643 1.00 0.77 O ATOM 275 CB VAL A 17 -19.125 -0.173 -4.928 1.00 0.73 C ATOM 276 CG1 VAL A 17 -18.550 -1.567 -4.735 1.00 0.76 C ATOM 277 CG2 VAL A 17 -18.009 0.860 -4.967 1.00 0.71 C ATOM 0 H VAL A 17 -18.677 0.746 -7.620 1.00 0.79 H new ATOM 0 HA VAL A 17 -20.613 -0.994 -6.257 1.00 0.77 H new ATOM 0 HB VAL A 17 -19.773 0.055 -4.082 1.00 0.73 H new ATOM 0 HG11 VAL A 17 -17.952 -1.591 -3.824 1.00 0.76 H new ATOM 0 HG12 VAL A 17 -19.363 -2.288 -4.655 1.00 0.76 H new ATOM 0 HG13 VAL A 17 -17.921 -1.823 -5.588 1.00 0.76 H new ATOM 0 HG21 VAL A 17 -17.422 0.796 -4.051 1.00 0.71 H new ATOM 0 HG22 VAL A 17 -17.365 0.667 -5.825 1.00 0.71 H new ATOM 0 HG23 VAL A 17 -18.440 1.858 -5.054 1.00 0.71 H new ATOM 287 N GLU A 18 -22.040 0.978 -5.605 1.00 0.86 N ATOM 288 CA GLU A 18 -23.000 2.068 -5.493 1.00 0.91 C ATOM 289 C GLU A 18 -22.665 2.953 -4.295 1.00 0.89 C ATOM 290 O GLU A 18 -21.984 2.519 -3.373 1.00 0.85 O ATOM 291 CB GLU A 18 -24.411 1.489 -5.344 1.00 1.00 C ATOM 292 CG GLU A 18 -24.931 0.832 -6.610 1.00 1.11 C ATOM 293 CD GLU A 18 -25.364 1.840 -7.650 1.00 1.10 C ATOM 294 OE1 GLU A 18 -24.495 2.514 -8.234 1.00 1.46 O ATOM 295 OE2 GLU A 18 -26.585 1.963 -7.890 1.00 1.29 O ATOM 0 H GLU A 18 -22.363 0.096 -5.208 1.00 0.86 H new ATOM 0 HA GLU A 18 -22.953 2.679 -6.394 1.00 0.91 H new ATOM 0 HB2 GLU A 18 -24.411 0.756 -4.537 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -25.094 2.287 -5.051 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -24.154 0.193 -7.029 1.00 1.11 H new ATOM 0 HG3 GLU A 18 -25.774 0.187 -6.361 1.00 1.11 H new ATOM 302 N PRO A 19 -23.128 4.214 -4.294 1.00 0.95 N ATOM 303 CA PRO A 19 -22.882 5.133 -3.180 1.00 0.99 C ATOM 304 C PRO A 19 -23.578 4.658 -1.909 1.00 1.05 C ATOM 305 O PRO A 19 -23.198 5.023 -0.797 1.00 1.09 O ATOM 306 CB PRO A 19 -23.482 6.459 -3.662 1.00 1.08 C ATOM 307 CG PRO A 19 -24.463 6.076 -4.716 1.00 1.07 C ATOM 308 CD PRO A 19 -23.903 4.848 -5.373 1.00 1.04 C ATOM 0 HA PRO A 19 -21.824 5.210 -2.929 1.00 0.99 H new ATOM 0 HB2 PRO A 19 -23.968 6.993 -2.845 1.00 1.08 H new ATOM 0 HB3 PRO A 19 -22.712 7.119 -4.060 1.00 1.08 H new ATOM 0 HG2 PRO A 19 -25.443 5.875 -4.283 1.00 1.07 H new ATOM 0 HG3 PRO A 19 -24.593 6.881 -5.439 1.00 1.07 H new ATOM 0 HD2 PRO A 19 -24.692 4.192 -5.741 1.00 1.04 H new ATOM 0 HD3 PRO A 19 -23.274 5.099 -6.227 1.00 1.04 H new ATOM 316 N SER A 20 -24.600 3.830 -2.090 1.00 1.11 N ATOM 317 CA SER A 20 -25.361 3.281 -0.984 1.00 1.22 C ATOM 318 C SER A 20 -24.769 1.947 -0.535 1.00 1.11 C ATOM 319 O SER A 20 -25.253 1.330 0.416 1.00 1.16 O ATOM 320 CB SER A 20 -26.815 3.090 -1.415 1.00 1.42 C ATOM 321 OG SER A 20 -26.884 2.735 -2.790 1.00 1.61 O ATOM 0 H SER A 20 -24.921 3.523 -3.008 1.00 1.11 H new ATOM 0 HA SER A 20 -25.317 3.975 -0.144 1.00 1.22 H new ATOM 0 HB2 SER A 20 -27.281 2.313 -0.809 1.00 1.42 H new ATOM 0 HB3 SER A 20 -27.376 4.009 -1.242 1.00 1.42 H new ATOM 0 HG SER A 20 -27.821 2.615 -3.050 1.00 1.61 H new ATOM 327 N ASP A 21 -23.721 1.511 -1.222 1.00 0.99 N ATOM 328 CA ASP A 21 -23.076 0.249 -0.906 1.00 0.91 C ATOM 329 C ASP A 21 -22.132 0.415 0.273 1.00 0.86 C ATOM 330 O ASP A 21 -21.248 1.274 0.260 1.00 0.89 O ATOM 331 CB ASP A 21 -22.305 -0.284 -2.114 1.00 0.87 C ATOM 332 CG ASP A 21 -22.758 -1.668 -2.535 1.00 0.92 C ATOM 333 OD1 ASP A 21 -23.427 -2.356 -1.730 1.00 1.09 O ATOM 334 OD2 ASP A 21 -22.452 -2.073 -3.681 1.00 1.32 O ATOM 0 H ASP A 21 -23.301 2.016 -2.003 1.00 0.99 H new ATOM 0 HA ASP A 21 -23.853 -0.469 -0.642 1.00 0.91 H new ATOM 0 HB2 ASP A 21 -22.428 0.404 -2.950 1.00 0.87 H new ATOM 0 HB3 ASP A 21 -21.241 -0.311 -1.878 1.00 0.87 H new ATOM 339 N THR A 22 -22.335 -0.397 1.292 1.00 0.83 N ATOM 340 CA THR A 22 -21.509 -0.360 2.481 1.00 0.82 C ATOM 341 C THR A 22 -20.129 -0.952 2.194 1.00 0.76 C ATOM 342 O THR A 22 -19.996 -1.834 1.341 1.00 0.75 O ATOM 343 CB THR A 22 -22.185 -1.142 3.616 1.00 0.88 C ATOM 344 OG1 THR A 22 -23.036 -2.156 3.055 1.00 1.00 O ATOM 345 CG2 THR A 22 -23.002 -0.217 4.509 1.00 1.13 C ATOM 0 H THR A 22 -23.075 -1.099 1.318 1.00 0.83 H new ATOM 0 HA THR A 22 -21.387 0.680 2.785 1.00 0.82 H new ATOM 0 HB THR A 22 -21.411 -1.605 4.228 1.00 0.88 H new ATOM 0 HG1 THR A 22 -23.467 -2.658 3.778 1.00 1.00 H new ATOM 0 HG21 THR A 22 -23.469 -0.798 5.304 1.00 1.13 H new ATOM 0 HG22 THR A 22 -22.348 0.537 4.947 1.00 1.13 H new ATOM 0 HG23 THR A 22 -23.774 0.273 3.916 1.00 1.13 H new ATOM 353 N ILE A 23 -19.108 -0.474 2.906 1.00 0.74 N ATOM 354 CA ILE A 23 -17.736 -0.955 2.715 1.00 0.69 C ATOM 355 C ILE A 23 -17.660 -2.473 2.880 1.00 0.67 C ATOM 356 O ILE A 23 -16.881 -3.146 2.200 1.00 0.63 O ATOM 357 CB ILE A 23 -16.756 -0.268 3.699 1.00 0.68 C ATOM 358 CG1 ILE A 23 -16.738 1.249 3.466 1.00 0.71 C ATOM 359 CG2 ILE A 23 -15.349 -0.841 3.565 1.00 0.63 C ATOM 360 CD1 ILE A 23 -16.294 1.657 2.074 1.00 0.69 C ATOM 0 H ILE A 23 -19.204 0.247 3.621 1.00 0.74 H new ATOM 0 HA ILE A 23 -17.441 -0.697 1.698 1.00 0.69 H new ATOM 0 HB ILE A 23 -17.106 -0.464 4.713 1.00 0.68 H new ATOM 0 HG12 ILE A 23 -17.737 1.645 3.648 1.00 0.71 H new ATOM 0 HG13 ILE A 23 -16.074 1.710 4.197 1.00 0.71 H new ATOM 0 HG21 ILE A 23 -14.684 -0.340 4.268 1.00 0.63 H new ATOM 0 HG22 ILE A 23 -15.369 -1.909 3.783 1.00 0.63 H new ATOM 0 HG23 ILE A 23 -14.988 -0.685 2.549 1.00 0.63 H new ATOM 0 HD11 ILE A 23 -16.309 2.744 1.991 1.00 0.69 H new ATOM 0 HD12 ILE A 23 -15.282 1.293 1.893 1.00 0.69 H new ATOM 0 HD13 ILE A 23 -16.971 1.228 1.336 1.00 0.69 H new ATOM 372 N GLU A 24 -18.483 -3.010 3.768 1.00 0.71 N ATOM 373 CA GLU A 24 -18.520 -4.447 4.010 1.00 0.72 C ATOM 374 C GLU A 24 -18.909 -5.197 2.735 1.00 0.71 C ATOM 375 O GLU A 24 -18.321 -6.229 2.410 1.00 0.71 O ATOM 376 CB GLU A 24 -19.502 -4.776 5.136 1.00 0.80 C ATOM 377 CG GLU A 24 -20.815 -4.022 5.035 1.00 0.95 C ATOM 378 CD GLU A 24 -21.933 -4.702 5.790 1.00 0.97 C ATOM 379 OE1 GLU A 24 -22.137 -5.916 5.593 1.00 1.14 O ATOM 380 OE2 GLU A 24 -22.614 -4.022 6.579 1.00 1.64 O ATOM 0 H GLU A 24 -19.137 -2.471 4.336 1.00 0.71 H new ATOM 0 HA GLU A 24 -17.523 -4.768 4.312 1.00 0.72 H new ATOM 0 HB2 GLU A 24 -19.706 -5.847 5.128 1.00 0.80 H new ATOM 0 HB3 GLU A 24 -19.034 -4.548 6.094 1.00 0.80 H new ATOM 0 HG2 GLU A 24 -20.681 -3.012 5.423 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -21.095 -3.926 3.986 1.00 0.95 H new ATOM 387 N ASN A 25 -19.874 -4.655 1.999 1.00 0.72 N ATOM 388 CA ASN A 25 -20.330 -5.279 0.763 1.00 0.73 C ATOM 389 C ASN A 25 -19.291 -5.087 -0.329 1.00 0.69 C ATOM 390 O ASN A 25 -19.146 -5.926 -1.220 1.00 0.70 O ATOM 391 CB ASN A 25 -21.673 -4.699 0.319 1.00 0.79 C ATOM 392 CG ASN A 25 -22.371 -5.597 -0.685 1.00 0.86 C ATOM 393 OD1 ASN A 25 -22.290 -6.822 -0.600 1.00 0.96 O ATOM 394 ND2 ASN A 25 -23.057 -4.998 -1.642 1.00 0.97 N ATOM 0 H ASN A 25 -20.354 -3.787 2.237 1.00 0.72 H new ATOM 0 HA ASN A 25 -20.465 -6.345 0.947 1.00 0.73 H new ATOM 0 HB2 ASN A 25 -22.314 -4.560 1.189 1.00 0.79 H new ATOM 0 HB3 ASN A 25 -21.516 -3.715 -0.122 1.00 0.79 H new ATOM 0 HD21 ASN A 25 -23.544 -5.554 -2.345 1.00 0.97 H new ATOM 0 HD22 ASN A 25 -23.100 -3.980 -1.678 1.00 0.97 H new ATOM 401 N VAL A 26 -18.569 -3.974 -0.258 1.00 0.65 N ATOM 402 CA VAL A 26 -17.515 -3.686 -1.220 1.00 0.62 C ATOM 403 C VAL A 26 -16.446 -4.767 -1.123 1.00 0.58 C ATOM 404 O VAL A 26 -15.981 -5.297 -2.137 1.00 0.57 O ATOM 405 CB VAL A 26 -16.880 -2.297 -0.975 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.744 -2.034 -1.955 1.00 0.59 C ATOM 407 CG2 VAL A 26 -17.935 -1.201 -1.066 1.00 0.63 C ATOM 0 H VAL A 26 -18.696 -3.257 0.456 1.00 0.65 H new ATOM 0 HA VAL A 26 -17.954 -3.675 -2.218 1.00 0.62 H new ATOM 0 HB VAL A 26 -16.463 -2.290 0.032 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.316 -1.051 -1.760 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -14.974 -2.796 -1.833 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -16.128 -2.067 -2.975 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -17.469 -0.232 -0.891 1.00 0.63 H new ATOM 0 HG22 VAL A 26 -18.387 -1.212 -2.058 1.00 0.63 H new ATOM 0 HG23 VAL A 26 -18.705 -1.374 -0.314 1.00 0.63 H new ATOM 417 N LYS A 27 -16.086 -5.104 0.112 1.00 0.57 N ATOM 418 CA LYS A 27 -15.095 -6.139 0.375 1.00 0.54 C ATOM 419 C LYS A 27 -15.606 -7.491 -0.110 1.00 0.55 C ATOM 420 O LYS A 27 -14.843 -8.314 -0.619 1.00 0.52 O ATOM 421 CB LYS A 27 -14.801 -6.228 1.872 1.00 0.59 C ATOM 422 CG LYS A 27 -14.115 -5.005 2.453 1.00 0.67 C ATOM 423 CD LYS A 27 -13.955 -5.143 3.957 1.00 0.82 C ATOM 424 CE LYS A 27 -12.775 -4.340 4.477 1.00 1.03 C ATOM 425 NZ LYS A 27 -12.329 -4.828 5.808 1.00 1.08 N ATOM 0 H LYS A 27 -16.470 -4.671 0.952 1.00 0.57 H new ATOM 0 HA LYS A 27 -14.181 -5.878 -0.159 1.00 0.54 H new ATOM 0 HB2 LYS A 27 -15.738 -6.390 2.404 1.00 0.59 H new ATOM 0 HB3 LYS A 27 -14.175 -7.101 2.055 1.00 0.59 H new ATOM 0 HG2 LYS A 27 -13.137 -4.875 1.989 1.00 0.67 H new ATOM 0 HG3 LYS A 27 -14.697 -4.112 2.225 1.00 0.67 H new ATOM 0 HD2 LYS A 27 -14.867 -4.809 4.451 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -13.820 -6.194 4.213 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -11.949 -4.405 3.769 1.00 1.03 H new ATOM 0 HE3 LYS A 27 -13.052 -3.288 4.548 1.00 1.03 H new ATOM 0 HZ1 LYS A 27 -11.311 -4.647 5.921 1.00 1.08 H new ATOM 0 HZ2 LYS A 27 -12.854 -4.329 6.554 1.00 1.08 H new ATOM 0 HZ3 LYS A 27 -12.509 -5.850 5.881 1.00 1.08 H new ATOM 439 N ALA A 28 -16.909 -7.704 0.056 1.00 0.63 N ATOM 440 CA ALA A 28 -17.551 -8.945 -0.358 1.00 0.68 C ATOM 441 C ALA A 28 -17.434 -9.135 -1.866 1.00 0.68 C ATOM 442 O ALA A 28 -17.231 -10.247 -2.347 1.00 0.75 O ATOM 443 CB ALA A 28 -19.012 -8.954 0.067 1.00 0.75 C ATOM 0 H ALA A 28 -17.544 -7.026 0.478 1.00 0.63 H new ATOM 0 HA ALA A 28 -17.041 -9.775 0.132 1.00 0.68 H new ATOM 0 HB1 ALA A 28 -19.477 -9.887 -0.250 1.00 0.75 H new ATOM 0 HB2 ALA A 28 -19.076 -8.866 1.152 1.00 0.75 H new ATOM 0 HB3 ALA A 28 -19.531 -8.115 -0.396 1.00 0.75 H new ATOM 449 N LYS A 29 -17.551 -8.038 -2.607 1.00 0.65 N ATOM 450 CA LYS A 29 -17.449 -8.080 -4.060 1.00 0.70 C ATOM 451 C LYS A 29 -16.029 -8.451 -4.474 1.00 0.67 C ATOM 452 O LYS A 29 -15.819 -9.157 -5.460 1.00 0.76 O ATOM 453 CB LYS A 29 -17.851 -6.734 -4.667 1.00 0.72 C ATOM 454 CG LYS A 29 -19.347 -6.464 -4.603 1.00 1.05 C ATOM 455 CD LYS A 29 -19.693 -5.102 -5.179 1.00 1.00 C ATOM 456 CE LYS A 29 -21.198 -4.904 -5.279 1.00 1.39 C ATOM 457 NZ LYS A 29 -21.552 -3.555 -5.791 1.00 1.23 N ATOM 0 H LYS A 29 -17.717 -7.107 -2.224 1.00 0.65 H new ATOM 0 HA LYS A 29 -18.133 -8.840 -4.436 1.00 0.70 H new ATOM 0 HB2 LYS A 29 -17.323 -5.936 -4.145 1.00 0.72 H new ATOM 0 HB3 LYS A 29 -17.528 -6.702 -5.708 1.00 0.72 H new ATOM 0 HG2 LYS A 29 -19.881 -7.239 -5.153 1.00 1.05 H new ATOM 0 HG3 LYS A 29 -19.683 -6.518 -3.568 1.00 1.05 H new ATOM 0 HD2 LYS A 29 -19.263 -4.321 -4.552 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -19.245 -5.000 -6.167 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -21.620 -5.663 -5.937 1.00 1.39 H new ATOM 0 HE3 LYS A 29 -21.648 -5.048 -4.297 1.00 1.39 H new ATOM 0 HZ1 LYS A 29 -22.443 -3.609 -6.325 1.00 1.23 H new ATOM 0 HZ2 LYS A 29 -21.667 -2.900 -4.992 1.00 1.23 H new ATOM 0 HZ3 LYS A 29 -20.795 -3.211 -6.415 1.00 1.23 H new ATOM 471 N ILE A 30 -15.057 -7.986 -3.700 1.00 0.57 N ATOM 472 CA ILE A 30 -13.660 -8.282 -3.970 1.00 0.55 C ATOM 473 C ILE A 30 -13.377 -9.749 -3.648 1.00 0.61 C ATOM 474 O ILE A 30 -12.567 -10.402 -4.308 1.00 0.65 O ATOM 475 CB ILE A 30 -12.719 -7.357 -3.163 1.00 0.45 C ATOM 476 CG1 ILE A 30 -13.007 -5.895 -3.519 1.00 0.48 C ATOM 477 CG2 ILE A 30 -11.256 -7.696 -3.434 1.00 0.46 C ATOM 478 CD1 ILE A 30 -12.241 -4.891 -2.685 1.00 0.45 C ATOM 0 H ILE A 30 -15.213 -7.401 -2.879 1.00 0.57 H new ATOM 0 HA ILE A 30 -13.467 -8.100 -5.027 1.00 0.55 H new ATOM 0 HB ILE A 30 -12.904 -7.510 -2.100 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -12.768 -5.735 -4.570 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -14.075 -5.708 -3.403 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.615 -7.031 -2.855 1.00 0.46 H new ATOM 0 HG22 ILE A 30 -11.062 -8.729 -3.146 1.00 0.46 H new ATOM 0 HG23 ILE A 30 -11.044 -7.570 -4.496 1.00 0.46 H new ATOM 0 HD11 ILE A 30 -12.502 -3.881 -3.001 1.00 0.45 H new ATOM 0 HD12 ILE A 30 -12.497 -5.020 -1.634 1.00 0.45 H new ATOM 0 HD13 ILE A 30 -11.171 -5.048 -2.819 1.00 0.45 H new ATOM 490 N GLN A 31 -14.080 -10.273 -2.647 1.00 0.64 N ATOM 491 CA GLN A 31 -13.933 -11.669 -2.253 1.00 0.74 C ATOM 492 C GLN A 31 -14.595 -12.565 -3.292 1.00 0.81 C ATOM 493 O GLN A 31 -14.216 -13.720 -3.471 1.00 0.87 O ATOM 494 CB GLN A 31 -14.561 -11.913 -0.881 1.00 0.80 C ATOM 495 CG GLN A 31 -14.209 -13.269 -0.288 1.00 1.04 C ATOM 496 CD GLN A 31 -15.244 -13.757 0.700 1.00 1.06 C ATOM 497 OE1 GLN A 31 -15.948 -12.966 1.329 1.00 0.95 O ATOM 498 NE2 GLN A 31 -15.342 -15.066 0.851 1.00 1.53 N ATOM 0 H GLN A 31 -14.758 -9.749 -2.094 1.00 0.64 H new ATOM 0 HA GLN A 31 -12.871 -11.904 -2.192 1.00 0.74 H new ATOM 0 HB2 GLN A 31 -14.236 -11.130 -0.196 1.00 0.80 H new ATOM 0 HB3 GLN A 31 -15.645 -11.832 -0.966 1.00 0.80 H new ATOM 0 HG2 GLN A 31 -14.107 -13.998 -1.092 1.00 1.04 H new ATOM 0 HG3 GLN A 31 -13.241 -13.204 0.208 1.00 1.04 H new ATOM 0 HE21 GLN A 31 -14.740 -15.688 0.311 1.00 1.53 H new ATOM 0 HE22 GLN A 31 -16.019 -15.454 1.507 1.00 1.53 H new ATOM 507 N ASP A 32 -15.594 -12.019 -3.967 1.00 0.85 N ATOM 508 CA ASP A 32 -16.308 -12.746 -5.006 1.00 0.94 C ATOM 509 C ASP A 32 -15.407 -12.936 -6.215 1.00 0.97 C ATOM 510 O ASP A 32 -15.292 -14.034 -6.758 1.00 1.05 O ATOM 511 CB ASP A 32 -17.572 -11.978 -5.410 1.00 1.01 C ATOM 512 CG ASP A 32 -18.288 -12.591 -6.602 1.00 1.17 C ATOM 513 OD1 ASP A 32 -17.916 -12.283 -7.753 1.00 1.32 O ATOM 514 OD2 ASP A 32 -19.243 -13.373 -6.393 1.00 1.33 O ATOM 0 H ASP A 32 -15.931 -11.069 -3.813 1.00 0.85 H new ATOM 0 HA ASP A 32 -16.597 -13.724 -4.621 1.00 0.94 H new ATOM 0 HB2 ASP A 32 -18.256 -11.944 -4.562 1.00 1.01 H new ATOM 0 HB3 ASP A 32 -17.304 -10.948 -5.645 1.00 1.01 H new ATOM 519 N LYS A 33 -14.753 -11.856 -6.619 1.00 0.95 N ATOM 520 CA LYS A 33 -13.868 -11.883 -7.774 1.00 1.02 C ATOM 521 C LYS A 33 -12.487 -12.437 -7.425 1.00 0.98 C ATOM 522 O LYS A 33 -12.158 -13.566 -7.789 1.00 1.14 O ATOM 523 CB LYS A 33 -13.728 -10.479 -8.361 1.00 1.02 C ATOM 524 CG LYS A 33 -15.048 -9.855 -8.782 1.00 1.05 C ATOM 525 CD LYS A 33 -14.827 -8.542 -9.510 1.00 1.15 C ATOM 526 CE LYS A 33 -16.136 -7.834 -9.813 1.00 1.33 C ATOM 527 NZ LYS A 33 -15.926 -6.626 -10.656 1.00 1.55 N ATOM 0 H LYS A 33 -14.819 -10.947 -6.161 1.00 0.95 H new ATOM 0 HA LYS A 33 -14.316 -12.548 -8.512 1.00 1.02 H new ATOM 0 HB2 LYS A 33 -13.250 -9.833 -7.624 1.00 1.02 H new ATOM 0 HB3 LYS A 33 -13.065 -10.521 -9.225 1.00 1.02 H new ATOM 0 HG2 LYS A 33 -15.590 -10.545 -9.428 1.00 1.05 H new ATOM 0 HG3 LYS A 33 -15.670 -9.686 -7.903 1.00 1.05 H new ATOM 0 HD2 LYS A 33 -14.195 -7.893 -8.904 1.00 1.15 H new ATOM 0 HD3 LYS A 33 -14.292 -8.729 -10.441 1.00 1.15 H new ATOM 0 HE2 LYS A 33 -16.812 -8.521 -10.323 1.00 1.33 H new ATOM 0 HE3 LYS A 33 -16.619 -7.547 -8.879 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 -16.187 -5.776 -10.116 1.00 1.55 H new ATOM 0 HZ2 LYS A 33 -14.926 -6.566 -10.934 1.00 1.55 H new ATOM 0 HZ3 LYS A 33 -16.519 -6.690 -11.508 1.00 1.55 H new ATOM 541 N GLU A 34 -11.695 -11.636 -6.714 1.00 0.84 N ATOM 542 CA GLU A 34 -10.333 -12.017 -6.334 1.00 0.82 C ATOM 543 C GLU A 34 -10.330 -13.194 -5.367 1.00 0.82 C ATOM 544 O GLU A 34 -9.545 -14.132 -5.518 1.00 1.08 O ATOM 545 CB GLU A 34 -9.605 -10.829 -5.698 1.00 0.75 C ATOM 546 CG GLU A 34 -9.552 -9.597 -6.587 1.00 1.08 C ATOM 547 CD GLU A 34 -9.022 -9.907 -7.970 1.00 1.63 C ATOM 548 OE1 GLU A 34 -7.840 -10.301 -8.088 1.00 1.88 O ATOM 549 OE2 GLU A 34 -9.784 -9.767 -8.946 1.00 2.06 O ATOM 0 H GLU A 34 -11.975 -10.711 -6.387 1.00 0.84 H new ATOM 0 HA GLU A 34 -9.813 -12.319 -7.243 1.00 0.82 H new ATOM 0 HB2 GLU A 34 -10.100 -10.570 -4.762 1.00 0.75 H new ATOM 0 HB3 GLU A 34 -8.588 -11.130 -5.448 1.00 0.75 H new ATOM 0 HG2 GLU A 34 -10.551 -9.169 -6.671 1.00 1.08 H new ATOM 0 HG3 GLU A 34 -8.920 -8.842 -6.119 1.00 1.08 H new ATOM 556 N GLY A 35 -11.198 -13.137 -4.369 1.00 0.96 N ATOM 557 CA GLY A 35 -11.275 -14.209 -3.402 1.00 0.98 C ATOM 558 C GLY A 35 -10.661 -13.840 -2.071 1.00 0.87 C ATOM 559 O GLY A 35 -10.567 -14.676 -1.172 1.00 1.01 O ATOM 0 H GLY A 35 -11.850 -12.368 -4.212 1.00 0.96 H new ATOM 0 HA2 GLY A 35 -12.319 -14.483 -3.252 1.00 0.98 H new ATOM 0 HA3 GLY A 35 -10.769 -15.088 -3.800 1.00 0.98 H new ATOM 563 N ILE A 36 -10.244 -12.589 -1.937 1.00 0.83 N ATOM 564 CA ILE A 36 -9.636 -12.118 -0.702 1.00 0.72 C ATOM 565 C ILE A 36 -10.707 -11.856 0.355 1.00 0.68 C ATOM 566 O ILE A 36 -11.611 -11.048 0.137 1.00 0.71 O ATOM 567 CB ILE A 36 -8.823 -10.825 -0.936 1.00 0.70 C ATOM 568 CG1 ILE A 36 -7.897 -10.985 -2.147 1.00 0.86 C ATOM 569 CG2 ILE A 36 -8.020 -10.473 0.307 1.00 0.66 C ATOM 570 CD1 ILE A 36 -7.345 -9.676 -2.671 1.00 0.88 C ATOM 0 H ILE A 36 -10.316 -11.882 -2.669 1.00 0.83 H new ATOM 0 HA ILE A 36 -8.960 -12.898 -0.351 1.00 0.72 H new ATOM 0 HB ILE A 36 -9.518 -10.011 -1.141 1.00 0.70 H new ATOM 0 HG12 ILE A 36 -7.066 -11.636 -1.874 1.00 0.86 H new ATOM 0 HG13 ILE A 36 -8.443 -11.484 -2.947 1.00 0.86 H new ATOM 0 HG21 ILE A 36 -7.452 -9.560 0.127 1.00 0.66 H new ATOM 0 HG22 ILE A 36 -8.698 -10.319 1.147 1.00 0.66 H new ATOM 0 HG23 ILE A 36 -7.333 -11.287 0.539 1.00 0.66 H new ATOM 0 HD11 ILE A 36 -6.699 -9.870 -3.527 1.00 0.88 H new ATOM 0 HD12 ILE A 36 -8.168 -9.030 -2.977 1.00 0.88 H new ATOM 0 HD13 ILE A 36 -6.770 -9.184 -1.887 1.00 0.88 H new ATOM 582 N PRO A 37 -10.624 -12.542 1.509 1.00 0.70 N ATOM 583 CA PRO A 37 -11.591 -12.386 2.603 1.00 0.76 C ATOM 584 C PRO A 37 -11.679 -10.943 3.105 1.00 0.68 C ATOM 585 O PRO A 37 -10.670 -10.238 3.184 1.00 0.66 O ATOM 586 CB PRO A 37 -11.058 -13.312 3.704 1.00 0.91 C ATOM 587 CG PRO A 37 -9.644 -13.597 3.331 1.00 0.86 C ATOM 588 CD PRO A 37 -9.584 -13.526 1.837 1.00 0.75 C ATOM 0 HA PRO A 37 -12.603 -12.635 2.282 1.00 0.76 H new ATOM 0 HB2 PRO A 37 -11.118 -12.834 4.682 1.00 0.91 H new ATOM 0 HB3 PRO A 37 -11.642 -14.231 3.762 1.00 0.91 H new ATOM 0 HG2 PRO A 37 -8.968 -12.871 3.783 1.00 0.86 H new ATOM 0 HG3 PRO A 37 -9.338 -14.581 3.687 1.00 0.86 H new ATOM 0 HD2 PRO A 37 -8.602 -13.207 1.488 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -9.786 -14.494 1.379 1.00 0.75 H new ATOM 596 N PRO A 38 -12.894 -10.488 3.458 1.00 0.67 N ATOM 597 CA PRO A 38 -13.136 -9.119 3.941 1.00 0.65 C ATOM 598 C PRO A 38 -12.476 -8.831 5.288 1.00 0.74 C ATOM 599 O PRO A 38 -12.176 -7.678 5.611 1.00 0.75 O ATOM 600 CB PRO A 38 -14.663 -9.052 4.075 1.00 0.70 C ATOM 601 CG PRO A 38 -15.095 -10.467 4.236 1.00 0.76 C ATOM 602 CD PRO A 38 -14.138 -11.280 3.414 1.00 0.73 C ATOM 0 HA PRO A 38 -12.713 -8.379 3.261 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -14.958 -8.449 4.933 1.00 0.70 H new ATOM 0 HB3 PRO A 38 -15.117 -8.598 3.195 1.00 0.70 H new ATOM 0 HG2 PRO A 38 -15.066 -10.769 5.283 1.00 0.76 H new ATOM 0 HG3 PRO A 38 -16.120 -10.605 3.893 1.00 0.76 H new ATOM 0 HD2 PRO A 38 -13.995 -12.277 3.832 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -14.496 -11.411 2.393 1.00 0.73 H new ATOM 610 N ASP A 39 -12.247 -9.885 6.061 1.00 0.85 N ATOM 611 CA ASP A 39 -11.632 -9.768 7.380 1.00 1.00 C ATOM 612 C ASP A 39 -10.156 -9.397 7.283 1.00 0.95 C ATOM 613 O ASP A 39 -9.650 -8.610 8.085 1.00 1.05 O ATOM 614 CB ASP A 39 -11.794 -11.082 8.151 1.00 1.20 C ATOM 615 CG ASP A 39 -11.646 -12.303 7.260 1.00 1.18 C ATOM 616 OD1 ASP A 39 -10.507 -12.768 7.060 1.00 1.57 O ATOM 617 OD2 ASP A 39 -12.675 -12.798 6.752 1.00 1.53 O ATOM 0 H ASP A 39 -12.481 -10.841 5.794 1.00 0.85 H new ATOM 0 HA ASP A 39 -12.141 -8.966 7.915 1.00 1.00 H new ATOM 0 HB2 ASP A 39 -11.051 -11.126 8.948 1.00 1.20 H new ATOM 0 HB3 ASP A 39 -12.774 -11.101 8.628 1.00 1.20 H new ATOM 622 N GLN A 40 -9.467 -9.951 6.294 1.00 0.91 N ATOM 623 CA GLN A 40 -8.047 -9.676 6.110 1.00 0.94 C ATOM 624 C GLN A 40 -7.827 -8.518 5.145 1.00 0.84 C ATOM 625 O GLN A 40 -6.701 -8.049 4.966 1.00 0.93 O ATOM 626 CB GLN A 40 -7.333 -10.934 5.620 1.00 1.05 C ATOM 627 CG GLN A 40 -7.119 -11.955 6.723 1.00 1.25 C ATOM 628 CD GLN A 40 -7.093 -13.376 6.214 1.00 1.38 C ATOM 629 OE1 GLN A 40 -6.042 -13.892 5.837 1.00 1.98 O ATOM 630 NE2 GLN A 40 -8.248 -14.020 6.201 1.00 1.60 N ATOM 0 H GLN A 40 -9.866 -10.592 5.608 1.00 0.91 H new ATOM 0 HA GLN A 40 -7.626 -9.383 7.072 1.00 0.94 H new ATOM 0 HB2 GLN A 40 -7.916 -11.388 4.818 1.00 1.05 H new ATOM 0 HB3 GLN A 40 -6.368 -10.657 5.195 1.00 1.05 H new ATOM 0 HG2 GLN A 40 -6.180 -11.740 7.232 1.00 1.25 H new ATOM 0 HG3 GLN A 40 -7.913 -11.854 7.463 1.00 1.25 H new ATOM 0 HE21 GLN A 40 -9.096 -13.553 6.523 1.00 1.60 H new ATOM 0 HE22 GLN A 40 -8.291 -14.984 5.869 1.00 1.60 H new ATOM 639 N GLN A 41 -8.911 -8.063 4.534 1.00 0.75 N ATOM 640 CA GLN A 41 -8.863 -6.953 3.592 1.00 0.70 C ATOM 641 C GLN A 41 -8.675 -5.631 4.328 1.00 0.60 C ATOM 642 O GLN A 41 -9.626 -5.090 4.904 1.00 0.68 O ATOM 643 CB GLN A 41 -10.158 -6.906 2.782 1.00 0.73 C ATOM 644 CG GLN A 41 -10.006 -7.327 1.332 1.00 0.74 C ATOM 645 CD GLN A 41 -11.313 -7.215 0.574 1.00 0.74 C ATOM 646 OE1 GLN A 41 -11.685 -6.139 0.114 1.00 1.32 O ATOM 647 NE2 GLN A 41 -12.018 -8.323 0.436 1.00 0.87 N ATOM 0 H GLN A 41 -9.844 -8.450 4.676 1.00 0.75 H new ATOM 0 HA GLN A 41 -8.017 -7.105 2.922 1.00 0.70 H new ATOM 0 HB2 GLN A 41 -10.895 -7.552 3.260 1.00 0.73 H new ATOM 0 HB3 GLN A 41 -10.555 -5.891 2.813 1.00 0.73 H new ATOM 0 HG2 GLN A 41 -9.252 -6.705 0.850 1.00 0.74 H new ATOM 0 HG3 GLN A 41 -9.647 -8.355 1.288 1.00 0.74 H new ATOM 0 HE21 GLN A 41 -11.675 -9.198 0.833 1.00 0.87 H new ATOM 0 HE22 GLN A 41 -12.905 -8.304 -0.067 1.00 0.87 H new ATOM 656 N ARG A 42 -7.457 -5.108 4.321 1.00 0.54 N ATOM 657 CA ARG A 42 -7.177 -3.852 4.991 1.00 0.55 C ATOM 658 C ARG A 42 -7.030 -2.731 3.971 1.00 0.47 C ATOM 659 O ARG A 42 -5.930 -2.430 3.507 1.00 0.51 O ATOM 660 CB ARG A 42 -5.919 -3.968 5.854 1.00 0.71 C ATOM 661 CG ARG A 42 -5.860 -2.949 6.979 1.00 0.83 C ATOM 662 CD ARG A 42 -4.906 -3.383 8.082 1.00 1.06 C ATOM 663 NE ARG A 42 -3.541 -2.904 7.863 1.00 0.88 N ATOM 664 CZ ARG A 42 -3.068 -1.762 8.363 1.00 0.94 C ATOM 665 NH1 ARG A 42 -3.857 -0.964 9.072 1.00 1.58 N ATOM 666 NH2 ARG A 42 -1.806 -1.418 8.154 1.00 1.55 N ATOM 0 H ARG A 42 -6.652 -5.534 3.860 1.00 0.54 H new ATOM 0 HA ARG A 42 -8.015 -3.615 5.646 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -5.871 -4.970 6.279 1.00 0.71 H new ATOM 0 HB3 ARG A 42 -5.041 -3.849 5.220 1.00 0.71 H new ATOM 0 HG2 ARG A 42 -5.542 -1.985 6.581 1.00 0.83 H new ATOM 0 HG3 ARG A 42 -6.858 -2.808 7.395 1.00 0.83 H new ATOM 0 HD2 ARG A 42 -5.269 -3.010 9.040 1.00 1.06 H new ATOM 0 HD3 ARG A 42 -4.900 -4.471 8.145 1.00 1.06 H new ATOM 0 HE ARG A 42 -2.916 -3.476 7.296 1.00 0.88 H new ATOM 0 HH11 ARG A 42 -4.830 -1.223 9.236 1.00 1.58 H new ATOM 0 HH12 ARG A 42 -3.491 -0.091 9.452 1.00 1.58 H new ATOM 0 HH21 ARG A 42 -1.195 -2.027 7.610 1.00 1.55 H new ATOM 0 HH22 ARG A 42 -1.445 -0.544 8.537 1.00 1.55 H new ATOM 680 N LEU A 43 -8.159 -2.145 3.604 1.00 0.47 N ATOM 681 CA LEU A 43 -8.187 -1.049 2.643 1.00 0.43 C ATOM 682 C LEU A 43 -7.820 0.260 3.332 1.00 0.47 C ATOM 683 O LEU A 43 -8.524 0.708 4.239 1.00 0.55 O ATOM 684 CB LEU A 43 -9.576 -0.932 2.012 1.00 0.44 C ATOM 685 CG LEU A 43 -9.972 -2.079 1.078 1.00 0.40 C ATOM 686 CD1 LEU A 43 -11.485 -2.251 1.054 1.00 0.50 C ATOM 687 CD2 LEU A 43 -9.439 -1.823 -0.323 1.00 0.40 C ATOM 0 H LEU A 43 -9.077 -2.412 3.960 1.00 0.47 H new ATOM 0 HA LEU A 43 -7.459 -1.255 1.858 1.00 0.43 H new ATOM 0 HB2 LEU A 43 -10.315 -0.865 2.811 1.00 0.44 H new ATOM 0 HB3 LEU A 43 -9.625 0.003 1.453 1.00 0.44 H new ATOM 0 HG LEU A 43 -9.531 -3.002 1.453 1.00 0.40 H new ATOM 0 HD11 LEU A 43 -11.747 -3.071 0.385 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -11.842 -2.475 2.059 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -11.950 -1.331 0.700 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -9.727 -2.645 -0.978 1.00 0.40 H new ATOM 0 HD22 LEU A 43 -9.855 -0.891 -0.706 1.00 0.40 H new ATOM 0 HD23 LEU A 43 -8.352 -1.749 -0.291 1.00 0.40 H new ATOM 699 N ILE A 44 -6.717 0.858 2.907 1.00 0.45 N ATOM 700 CA ILE A 44 -6.257 2.108 3.492 1.00 0.50 C ATOM 701 C ILE A 44 -6.432 3.258 2.508 1.00 0.52 C ATOM 702 O ILE A 44 -6.055 3.158 1.337 1.00 0.52 O ATOM 703 CB ILE A 44 -4.778 2.021 3.927 1.00 0.54 C ATOM 704 CG1 ILE A 44 -4.572 0.840 4.883 1.00 0.54 C ATOM 705 CG2 ILE A 44 -4.338 3.321 4.589 1.00 0.63 C ATOM 706 CD1 ILE A 44 -3.154 0.708 5.395 1.00 0.62 C ATOM 0 H ILE A 44 -6.124 0.498 2.159 1.00 0.45 H new ATOM 0 HA ILE A 44 -6.865 2.294 4.377 1.00 0.50 H new ATOM 0 HB ILE A 44 -4.166 1.862 3.039 1.00 0.54 H new ATOM 0 HG12 ILE A 44 -5.246 0.950 5.732 1.00 0.54 H new ATOM 0 HG13 ILE A 44 -4.851 -0.082 4.372 1.00 0.54 H new ATOM 0 HG21 ILE A 44 -3.293 3.241 4.889 1.00 0.63 H new ATOM 0 HG22 ILE A 44 -4.451 4.145 3.884 1.00 0.63 H new ATOM 0 HG23 ILE A 44 -4.954 3.508 5.468 1.00 0.63 H new ATOM 0 HD11 ILE A 44 -3.087 -0.149 6.065 1.00 0.62 H new ATOM 0 HD12 ILE A 44 -2.475 0.565 4.554 1.00 0.62 H new ATOM 0 HD13 ILE A 44 -2.877 1.613 5.935 1.00 0.62 H new ATOM 718 N PHE A 45 -7.020 4.342 2.995 1.00 0.56 N ATOM 719 CA PHE A 45 -7.257 5.528 2.190 1.00 0.59 C ATOM 720 C PHE A 45 -6.848 6.768 2.971 1.00 0.68 C ATOM 721 O PHE A 45 -7.380 7.029 4.052 1.00 0.72 O ATOM 722 CB PHE A 45 -8.736 5.610 1.807 1.00 0.65 C ATOM 723 CG PHE A 45 -9.069 6.758 0.891 1.00 0.73 C ATOM 724 CD1 PHE A 45 -8.636 6.760 -0.427 1.00 0.79 C ATOM 725 CD2 PHE A 45 -9.819 7.831 1.347 1.00 0.85 C ATOM 726 CE1 PHE A 45 -8.946 7.810 -1.271 1.00 0.92 C ATOM 727 CE2 PHE A 45 -10.130 8.883 0.506 1.00 0.96 C ATOM 728 CZ PHE A 45 -9.692 8.872 -0.804 1.00 0.98 C ATOM 0 H PHE A 45 -7.345 4.422 3.958 1.00 0.56 H new ATOM 0 HA PHE A 45 -6.661 5.470 1.279 1.00 0.59 H new ATOM 0 HB2 PHE A 45 -9.028 4.677 1.325 1.00 0.65 H new ATOM 0 HB3 PHE A 45 -9.332 5.699 2.716 1.00 0.65 H new ATOM 0 HD1 PHE A 45 -8.050 5.932 -0.798 1.00 0.79 H new ATOM 0 HD2 PHE A 45 -10.164 7.845 2.370 1.00 0.85 H new ATOM 0 HE1 PHE A 45 -8.604 7.799 -2.295 1.00 0.92 H new ATOM 0 HE2 PHE A 45 -10.715 9.713 0.873 1.00 0.96 H new ATOM 0 HZ PHE A 45 -9.933 9.694 -1.462 1.00 0.98 H new ATOM 738 N ALA A 46 -5.879 7.507 2.435 1.00 0.79 N ATOM 739 CA ALA A 46 -5.381 8.735 3.063 1.00 0.95 C ATOM 740 C ALA A 46 -4.788 8.473 4.448 1.00 0.94 C ATOM 741 O ALA A 46 -4.687 9.383 5.274 1.00 1.10 O ATOM 742 CB ALA A 46 -6.484 9.785 3.145 1.00 1.05 C ATOM 0 H ALA A 46 -5.416 7.275 1.556 1.00 0.79 H new ATOM 0 HA ALA A 46 -4.578 9.116 2.431 1.00 0.95 H new ATOM 0 HB1 ALA A 46 -6.093 10.688 3.614 1.00 1.05 H new ATOM 0 HB2 ALA A 46 -6.837 10.021 2.141 1.00 1.05 H new ATOM 0 HB3 ALA A 46 -7.312 9.397 3.738 1.00 1.05 H new ATOM 748 N GLY A 47 -4.405 7.228 4.705 1.00 0.93 N ATOM 749 CA GLY A 47 -3.823 6.885 5.986 1.00 0.93 C ATOM 750 C GLY A 47 -4.842 6.333 6.965 1.00 0.82 C ATOM 751 O GLY A 47 -4.494 5.960 8.088 1.00 0.91 O ATOM 0 H GLY A 47 -4.488 6.451 4.049 1.00 0.93 H new ATOM 0 HA2 GLY A 47 -3.034 6.148 5.836 1.00 0.93 H new ATOM 0 HA3 GLY A 47 -3.355 7.770 6.416 1.00 0.93 H new ATOM 755 N LYS A 48 -6.101 6.292 6.550 1.00 0.78 N ATOM 756 CA LYS A 48 -7.170 5.776 7.395 1.00 0.77 C ATOM 757 C LYS A 48 -7.755 4.510 6.788 1.00 0.68 C ATOM 758 O LYS A 48 -7.776 4.352 5.568 1.00 0.61 O ATOM 759 CB LYS A 48 -8.269 6.826 7.580 1.00 0.91 C ATOM 760 CG LYS A 48 -8.248 7.504 8.943 1.00 1.51 C ATOM 761 CD LYS A 48 -7.100 8.495 9.058 1.00 2.12 C ATOM 762 CE LYS A 48 -7.003 9.073 10.460 1.00 2.92 C ATOM 763 NZ LYS A 48 -5.870 10.025 10.598 1.00 3.57 N ATOM 0 H LYS A 48 -6.408 6.611 5.631 1.00 0.78 H new ATOM 0 HA LYS A 48 -6.750 5.540 8.373 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.167 7.586 6.805 1.00 0.91 H new ATOM 0 HB3 LYS A 48 -9.240 6.352 7.435 1.00 0.91 H new ATOM 0 HG2 LYS A 48 -9.193 8.021 9.107 1.00 1.51 H new ATOM 0 HG3 LYS A 48 -8.157 6.749 9.724 1.00 1.51 H new ATOM 0 HD2 LYS A 48 -6.163 8.000 8.802 1.00 2.12 H new ATOM 0 HD3 LYS A 48 -7.241 9.302 8.339 1.00 2.12 H new ATOM 0 HE2 LYS A 48 -7.935 9.582 10.707 1.00 2.92 H new ATOM 0 HE3 LYS A 48 -6.883 8.262 11.178 1.00 2.92 H new ATOM 0 HZ1 LYS A 48 -5.843 10.394 11.570 1.00 3.57 H new ATOM 0 HZ2 LYS A 48 -4.977 9.535 10.389 1.00 3.57 H new ATOM 0 HZ3 LYS A 48 -5.996 10.814 9.932 1.00 3.57 H new ATOM 777 N GLN A 49 -8.221 3.610 7.638 1.00 0.77 N ATOM 778 CA GLN A 49 -8.806 2.358 7.178 1.00 0.74 C ATOM 779 C GLN A 49 -10.297 2.523 6.909 1.00 0.72 C ATOM 780 O GLN A 49 -10.963 3.352 7.531 1.00 0.78 O ATOM 781 CB GLN A 49 -8.579 1.244 8.210 1.00 0.80 C ATOM 782 CG GLN A 49 -9.151 1.556 9.589 1.00 1.06 C ATOM 783 CD GLN A 49 -8.147 2.230 10.504 1.00 1.51 C ATOM 784 OE1 GLN A 49 -6.946 1.962 10.436 1.00 1.83 O ATOM 785 NE2 GLN A 49 -8.631 3.117 11.358 1.00 2.01 N ATOM 0 H GLN A 49 -8.206 3.722 8.652 1.00 0.77 H new ATOM 0 HA GLN A 49 -8.314 2.080 6.246 1.00 0.74 H new ATOM 0 HB2 GLN A 49 -9.029 0.322 7.841 1.00 0.80 H new ATOM 0 HB3 GLN A 49 -7.509 1.061 8.304 1.00 0.80 H new ATOM 0 HG2 GLN A 49 -10.024 2.200 9.478 1.00 1.06 H new ATOM 0 HG3 GLN A 49 -9.494 0.631 10.053 1.00 1.06 H new ATOM 0 HE21 GLN A 49 -9.633 3.309 11.381 1.00 2.01 H new ATOM 0 HE22 GLN A 49 -8.003 3.609 11.993 1.00 2.01 H new ATOM 794 N LEU A 50 -10.812 1.745 5.971 1.00 0.68 N ATOM 795 CA LEU A 50 -12.229 1.793 5.633 1.00 0.68 C ATOM 796 C LEU A 50 -13.006 0.831 6.523 1.00 0.71 C ATOM 797 O LEU A 50 -12.887 -0.388 6.385 1.00 0.69 O ATOM 798 CB LEU A 50 -12.449 1.437 4.160 1.00 0.64 C ATOM 799 CG LEU A 50 -11.577 2.200 3.158 1.00 0.62 C ATOM 800 CD1 LEU A 50 -11.949 1.812 1.738 1.00 0.56 C ATOM 801 CD2 LEU A 50 -11.717 3.703 3.351 1.00 0.72 C ATOM 0 H LEU A 50 -10.271 1.071 5.429 1.00 0.68 H new ATOM 0 HA LEU A 50 -12.590 2.808 5.798 1.00 0.68 H new ATOM 0 HB2 LEU A 50 -12.269 0.370 4.032 1.00 0.64 H new ATOM 0 HB3 LEU A 50 -13.496 1.616 3.914 1.00 0.64 H new ATOM 0 HG LEU A 50 -10.536 1.931 3.335 1.00 0.62 H new ATOM 0 HD11 LEU A 50 -11.322 2.361 1.035 1.00 0.56 H new ATOM 0 HD12 LEU A 50 -11.796 0.741 1.601 1.00 0.56 H new ATOM 0 HD13 LEU A 50 -12.996 2.055 1.557 1.00 0.56 H new ATOM 0 HD21 LEU A 50 -11.088 4.223 2.628 1.00 0.72 H new ATOM 0 HD22 LEU A 50 -12.757 3.994 3.203 1.00 0.72 H new ATOM 0 HD23 LEU A 50 -11.406 3.971 4.361 1.00 0.72 H new ATOM 813 N GLU A 51 -13.786 1.381 7.445 1.00 0.76 N ATOM 814 CA GLU A 51 -14.564 0.565 8.367 1.00 0.79 C ATOM 815 C GLU A 51 -15.819 0.023 7.687 1.00 0.76 C ATOM 816 O GLU A 51 -16.336 0.617 6.739 1.00 0.77 O ATOM 817 CB GLU A 51 -14.946 1.371 9.611 1.00 0.88 C ATOM 818 CG GLU A 51 -13.835 2.278 10.119 1.00 0.94 C ATOM 819 CD GLU A 51 -14.210 3.005 11.393 1.00 1.04 C ATOM 820 OE1 GLU A 51 -15.286 3.639 11.429 1.00 1.33 O ATOM 821 OE2 GLU A 51 -13.431 2.941 12.365 1.00 1.25 O ATOM 0 H GLU A 51 -13.896 2.387 7.574 1.00 0.76 H new ATOM 0 HA GLU A 51 -13.945 -0.278 8.673 1.00 0.79 H new ATOM 0 HB2 GLU A 51 -15.823 1.978 9.385 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -15.232 0.682 10.406 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -12.939 1.684 10.295 1.00 0.94 H new ATOM 0 HG3 GLU A 51 -13.587 3.008 9.349 1.00 0.94 H new ATOM 828 N ASP A 52 -16.306 -1.102 8.192 1.00 0.77 N ATOM 829 CA ASP A 52 -17.494 -1.754 7.649 1.00 0.77 C ATOM 830 C ASP A 52 -18.733 -0.886 7.842 1.00 0.82 C ATOM 831 O ASP A 52 -19.653 -0.914 7.024 1.00 0.81 O ATOM 832 CB ASP A 52 -17.705 -3.116 8.322 1.00 0.81 C ATOM 833 CG ASP A 52 -18.048 -2.995 9.799 1.00 1.32 C ATOM 834 OD1 ASP A 52 -17.230 -2.437 10.564 1.00 1.87 O ATOM 835 OD2 ASP A 52 -19.132 -3.466 10.201 1.00 1.66 O ATOM 0 H ASP A 52 -15.892 -1.589 8.987 1.00 0.77 H new ATOM 0 HA ASP A 52 -17.339 -1.900 6.580 1.00 0.77 H new ATOM 0 HB2 ASP A 52 -18.506 -3.649 7.810 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -16.801 -3.715 8.211 1.00 0.81 H new ATOM 840 N GLY A 53 -18.743 -0.109 8.914 1.00 0.93 N ATOM 841 CA GLY A 53 -19.874 0.753 9.203 1.00 1.01 C ATOM 842 C GLY A 53 -19.735 2.122 8.575 1.00 0.95 C ATOM 843 O GLY A 53 -20.220 3.117 9.119 1.00 1.04 O ATOM 0 H GLY A 53 -17.984 -0.059 9.594 1.00 0.93 H new ATOM 0 HA2 GLY A 53 -20.788 0.282 8.841 1.00 1.01 H new ATOM 0 HA3 GLY A 53 -19.978 0.861 10.283 1.00 1.01 H new ATOM 847 N ARG A 54 -19.064 2.175 7.439 1.00 0.92 N ATOM 848 CA ARG A 54 -18.855 3.424 6.732 1.00 0.87 C ATOM 849 C ARG A 54 -19.298 3.296 5.283 1.00 0.83 C ATOM 850 O ARG A 54 -19.523 2.189 4.784 1.00 0.82 O ATOM 851 CB ARG A 54 -17.378 3.819 6.776 1.00 0.87 C ATOM 852 CG ARG A 54 -16.816 3.988 8.177 1.00 0.92 C ATOM 853 CD ARG A 54 -17.068 5.381 8.716 1.00 1.02 C ATOM 854 NE ARG A 54 -16.484 5.560 10.042 1.00 1.23 N ATOM 855 CZ ARG A 54 -16.467 6.712 10.704 1.00 1.64 C ATOM 856 NH1 ARG A 54 -16.970 7.811 10.155 1.00 1.89 N ATOM 857 NH2 ARG A 54 -15.930 6.761 11.913 1.00 1.95 N ATOM 0 H ARG A 54 -18.652 1.361 6.984 1.00 0.92 H new ATOM 0 HA ARG A 54 -19.450 4.195 7.222 1.00 0.87 H new ATOM 0 HB2 ARG A 54 -16.796 3.060 6.253 1.00 0.87 H new ATOM 0 HB3 ARG A 54 -17.248 4.753 6.230 1.00 0.87 H new ATOM 0 HG2 ARG A 54 -17.269 3.253 8.842 1.00 0.92 H new ATOM 0 HG3 ARG A 54 -15.744 3.790 8.166 1.00 0.92 H new ATOM 0 HD2 ARG A 54 -16.648 6.118 8.031 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -18.141 5.564 8.763 1.00 1.02 H new ATOM 0 HE ARG A 54 -16.061 4.747 10.490 1.00 1.23 H new ATOM 0 HH11 ARG A 54 -17.373 7.775 9.219 1.00 1.89 H new ATOM 0 HH12 ARG A 54 -16.953 8.692 10.669 1.00 1.89 H new ATOM 0 HH21 ARG A 54 -15.533 5.919 12.329 1.00 1.95 H new ATOM 0 HH22 ARG A 54 -15.913 7.641 12.428 1.00 1.95 H new ATOM 871 N THR A 55 -19.418 4.428 4.617 1.00 0.84 N ATOM 872 CA THR A 55 -19.823 4.462 3.227 1.00 0.82 C ATOM 873 C THR A 55 -18.855 5.324 2.432 1.00 0.80 C ATOM 874 O THR A 55 -18.030 6.039 3.011 1.00 0.83 O ATOM 875 CB THR A 55 -21.246 5.034 3.072 1.00 0.89 C ATOM 876 OG1 THR A 55 -21.342 6.291 3.755 1.00 1.07 O ATOM 877 CG2 THR A 55 -22.288 4.073 3.624 1.00 0.85 C ATOM 0 H THR A 55 -19.238 5.346 5.023 1.00 0.84 H new ATOM 0 HA THR A 55 -19.815 3.439 2.851 1.00 0.82 H new ATOM 0 HB THR A 55 -21.440 5.177 2.009 1.00 0.89 H new ATOM 0 HG1 THR A 55 -22.248 6.651 3.652 1.00 1.07 H new ATOM 0 HG21 THR A 55 -23.282 4.504 3.501 1.00 0.85 H new ATOM 0 HG22 THR A 55 -22.233 3.127 3.085 1.00 0.85 H new ATOM 0 HG23 THR A 55 -22.097 3.898 4.683 1.00 0.85 H new ATOM 885 N LEU A 56 -18.950 5.258 1.115 1.00 0.78 N ATOM 886 CA LEU A 56 -18.088 6.050 0.251 1.00 0.77 C ATOM 887 C LEU A 56 -18.384 7.534 0.441 1.00 0.83 C ATOM 888 O LEU A 56 -17.488 8.378 0.365 1.00 0.88 O ATOM 889 CB LEU A 56 -18.296 5.641 -1.210 1.00 0.77 C ATOM 890 CG LEU A 56 -18.116 4.148 -1.496 1.00 0.73 C ATOM 891 CD1 LEU A 56 -18.814 3.765 -2.788 1.00 0.91 C ATOM 892 CD2 LEU A 56 -16.637 3.791 -1.563 1.00 1.12 C ATOM 0 H LEU A 56 -19.615 4.664 0.619 1.00 0.78 H new ATOM 0 HA LEU A 56 -17.047 5.868 0.517 1.00 0.77 H new ATOM 0 HB2 LEU A 56 -19.300 5.935 -1.514 1.00 0.77 H new ATOM 0 HB3 LEU A 56 -17.597 6.201 -1.831 1.00 0.77 H new ATOM 0 HG LEU A 56 -18.569 3.585 -0.680 1.00 0.73 H new ATOM 0 HD11 LEU A 56 -18.675 2.700 -2.975 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -19.879 3.983 -2.705 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -18.390 4.336 -3.614 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -16.529 2.726 -1.767 1.00 1.12 H new ATOM 0 HD22 LEU A 56 -16.160 4.363 -2.359 1.00 1.12 H new ATOM 0 HD23 LEU A 56 -16.162 4.028 -0.611 1.00 1.12 H new ATOM 904 N SER A 57 -19.644 7.835 0.714 1.00 0.84 N ATOM 905 CA SER A 57 -20.087 9.201 0.928 1.00 0.90 C ATOM 906 C SER A 57 -19.566 9.744 2.257 1.00 0.95 C ATOM 907 O SER A 57 -19.166 10.904 2.347 1.00 1.03 O ATOM 908 CB SER A 57 -21.614 9.241 0.896 1.00 0.93 C ATOM 909 OG SER A 57 -22.133 8.018 0.396 1.00 1.15 O ATOM 0 H SER A 57 -20.386 7.140 0.793 1.00 0.84 H new ATOM 0 HA SER A 57 -19.688 9.833 0.135 1.00 0.90 H new ATOM 0 HB2 SER A 57 -22.000 9.424 1.899 1.00 0.93 H new ATOM 0 HB3 SER A 57 -21.949 10.068 0.270 1.00 0.93 H new ATOM 0 HG SER A 57 -23.112 8.059 0.383 1.00 1.15 H new ATOM 915 N ASP A 58 -19.555 8.897 3.285 1.00 0.93 N ATOM 916 CA ASP A 58 -19.081 9.304 4.606 1.00 0.99 C ATOM 917 C ASP A 58 -17.616 9.696 4.556 1.00 0.99 C ATOM 918 O ASP A 58 -17.207 10.677 5.170 1.00 1.06 O ATOM 919 CB ASP A 58 -19.280 8.192 5.636 1.00 1.04 C ATOM 920 CG ASP A 58 -18.877 8.639 7.029 1.00 1.27 C ATOM 921 OD1 ASP A 58 -19.561 9.522 7.590 1.00 1.93 O ATOM 922 OD2 ASP A 58 -17.877 8.120 7.567 1.00 1.45 O ATOM 0 H ASP A 58 -19.868 7.928 3.229 1.00 0.93 H new ATOM 0 HA ASP A 58 -19.672 10.168 4.910 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -20.325 7.883 5.641 1.00 1.04 H new ATOM 0 HB3 ASP A 58 -18.692 7.320 5.349 1.00 1.04 H new ATOM 927 N TYR A 59 -16.832 8.938 3.804 1.00 0.95 N ATOM 928 CA TYR A 59 -15.407 9.215 3.664 1.00 0.97 C ATOM 929 C TYR A 59 -15.165 10.331 2.652 1.00 1.00 C ATOM 930 O TYR A 59 -14.020 10.710 2.406 1.00 1.06 O ATOM 931 CB TYR A 59 -14.652 7.959 3.224 1.00 0.94 C ATOM 932 CG TYR A 59 -14.361 6.982 4.343 1.00 0.89 C ATOM 933 CD1 TYR A 59 -13.678 7.383 5.486 1.00 0.91 C ATOM 934 CD2 TYR A 59 -14.757 5.655 4.250 1.00 0.87 C ATOM 935 CE1 TYR A 59 -13.400 6.489 6.505 1.00 0.91 C ATOM 936 CE2 TYR A 59 -14.483 4.757 5.263 1.00 0.88 C ATOM 937 CZ TYR A 59 -13.804 5.178 6.388 1.00 0.88 C ATOM 938 OH TYR A 59 -13.530 4.280 7.396 1.00 0.93 O ATOM 0 H TYR A 59 -17.157 8.125 3.280 1.00 0.95 H new ATOM 0 HA TYR A 59 -15.036 9.533 4.638 1.00 0.97 H new ATOM 0 HB2 TYR A 59 -15.234 7.450 2.456 1.00 0.94 H new ATOM 0 HB3 TYR A 59 -13.710 8.258 2.765 1.00 0.94 H new ATOM 0 HD1 TYR A 59 -13.359 8.410 5.580 1.00 0.91 H new ATOM 0 HD2 TYR A 59 -15.288 5.319 3.371 1.00 0.87 H new ATOM 0 HE1 TYR A 59 -12.869 6.818 7.386 1.00 0.91 H new ATOM 0 HE2 TYR A 59 -14.799 3.728 5.175 1.00 0.88 H new ATOM 0 HH TYR A 59 -12.567 4.100 7.421 1.00 0.93 H new ATOM 948 N ASN A 60 -16.254 10.852 2.075 1.00 0.98 N ATOM 949 CA ASN A 60 -16.186 11.922 1.075 1.00 1.03 C ATOM 950 C ASN A 60 -15.326 11.484 -0.106 1.00 1.00 C ATOM 951 O ASN A 60 -14.530 12.253 -0.648 1.00 1.07 O ATOM 952 CB ASN A 60 -15.636 13.216 1.691 1.00 1.14 C ATOM 953 CG ASN A 60 -16.168 14.462 1.003 1.00 1.17 C ATOM 954 OD1 ASN A 60 -15.647 14.892 -0.027 1.00 1.43 O ATOM 955 ND2 ASN A 60 -17.211 15.054 1.569 1.00 1.27 N ATOM 0 H ASN A 60 -17.203 10.545 2.287 1.00 0.98 H new ATOM 0 HA ASN A 60 -17.196 12.123 0.719 1.00 1.03 H new ATOM 0 HB2 ASN A 60 -15.897 13.250 2.749 1.00 1.14 H new ATOM 0 HB3 ASN A 60 -14.548 13.209 1.631 1.00 1.14 H new ATOM 0 HD21 ASN A 60 -17.609 15.895 1.151 1.00 1.27 H new ATOM 0 HD22 ASN A 60 -17.615 14.668 2.422 1.00 1.27 H new ATOM 962 N ILE A 61 -15.498 10.230 -0.498 1.00 0.92 N ATOM 963 CA ILE A 61 -14.746 9.659 -1.601 1.00 0.90 C ATOM 964 C ILE A 61 -15.288 10.146 -2.941 1.00 0.96 C ATOM 965 O ILE A 61 -16.476 10.010 -3.235 1.00 1.00 O ATOM 966 CB ILE A 61 -14.768 8.110 -1.541 1.00 0.82 C ATOM 967 CG1 ILE A 61 -13.929 7.623 -0.353 1.00 0.81 C ATOM 968 CG2 ILE A 61 -14.255 7.504 -2.842 1.00 0.83 C ATOM 969 CD1 ILE A 61 -13.937 6.122 -0.170 1.00 0.77 C ATOM 0 H ILE A 61 -16.158 9.585 -0.063 1.00 0.92 H new ATOM 0 HA ILE A 61 -13.713 9.993 -1.508 1.00 0.90 H new ATOM 0 HB ILE A 61 -15.799 7.784 -1.406 1.00 0.82 H new ATOM 0 HG12 ILE A 61 -12.900 7.957 -0.487 1.00 0.81 H new ATOM 0 HG13 ILE A 61 -14.301 8.092 0.558 1.00 0.81 H new ATOM 0 HG21 ILE A 61 -14.281 6.417 -2.772 1.00 0.83 H new ATOM 0 HG22 ILE A 61 -14.886 7.830 -3.669 1.00 0.83 H new ATOM 0 HG23 ILE A 61 -13.230 7.832 -3.017 1.00 0.83 H new ATOM 0 HD11 ILE A 61 -13.321 5.857 0.690 1.00 0.77 H new ATOM 0 HD12 ILE A 61 -14.959 5.781 -0.003 1.00 0.77 H new ATOM 0 HD13 ILE A 61 -13.536 5.644 -1.064 1.00 0.77 H new ATOM 981 N GLN A 62 -14.408 10.740 -3.736 1.00 1.01 N ATOM 982 CA GLN A 62 -14.773 11.253 -5.049 1.00 1.09 C ATOM 983 C GLN A 62 -14.318 10.291 -6.140 1.00 1.01 C ATOM 984 O GLN A 62 -13.707 9.259 -5.852 1.00 0.95 O ATOM 985 CB GLN A 62 -14.147 12.634 -5.274 1.00 1.21 C ATOM 986 CG GLN A 62 -14.688 13.712 -4.348 1.00 1.47 C ATOM 987 CD GLN A 62 -14.013 15.050 -4.560 1.00 1.79 C ATOM 988 OE1 GLN A 62 -14.438 15.852 -5.393 1.00 2.18 O ATOM 989 NE2 GLN A 62 -12.958 15.305 -3.806 1.00 2.18 N ATOM 0 H GLN A 62 -13.428 10.879 -3.491 1.00 1.01 H new ATOM 0 HA GLN A 62 -15.858 11.347 -5.093 1.00 1.09 H new ATOM 0 HB2 GLN A 62 -13.068 12.560 -5.138 1.00 1.21 H new ATOM 0 HB3 GLN A 62 -14.318 12.936 -6.307 1.00 1.21 H new ATOM 0 HG2 GLN A 62 -15.761 13.820 -4.509 1.00 1.47 H new ATOM 0 HG3 GLN A 62 -14.551 13.400 -3.313 1.00 1.47 H new ATOM 0 HE21 GLN A 62 -12.637 14.614 -3.127 1.00 2.18 H new ATOM 0 HE22 GLN A 62 -12.465 16.192 -3.903 1.00 2.18 H new ATOM 998 N LYS A 63 -14.617 10.634 -7.388 1.00 1.04 N ATOM 999 CA LYS A 63 -14.238 9.809 -8.531 1.00 1.05 C ATOM 1000 C LYS A 63 -12.719 9.704 -8.657 1.00 0.99 C ATOM 1001 O LYS A 63 -11.984 10.573 -8.172 1.00 1.00 O ATOM 1002 CB LYS A 63 -14.830 10.386 -9.822 1.00 1.19 C ATOM 1003 CG LYS A 63 -14.468 11.844 -10.064 1.00 1.25 C ATOM 1004 CD LYS A 63 -15.128 12.374 -11.321 1.00 1.54 C ATOM 1005 CE LYS A 63 -14.961 13.876 -11.445 1.00 1.61 C ATOM 1006 NZ LYS A 63 -15.567 14.394 -12.698 1.00 2.42 N ATOM 0 H LYS A 63 -15.124 11.484 -7.636 1.00 1.04 H new ATOM 0 HA LYS A 63 -14.638 8.808 -8.369 1.00 1.05 H new ATOM 0 HB2 LYS A 63 -14.485 9.790 -10.667 1.00 1.19 H new ATOM 0 HB3 LYS A 63 -15.915 10.291 -9.787 1.00 1.19 H new ATOM 0 HG2 LYS A 63 -14.776 12.444 -9.208 1.00 1.25 H new ATOM 0 HG3 LYS A 63 -13.386 11.943 -10.150 1.00 1.25 H new ATOM 0 HD2 LYS A 63 -14.695 11.885 -12.194 1.00 1.54 H new ATOM 0 HD3 LYS A 63 -16.189 12.125 -11.309 1.00 1.54 H new ATOM 0 HE2 LYS A 63 -15.423 14.366 -10.588 1.00 1.61 H new ATOM 0 HE3 LYS A 63 -13.901 14.127 -11.422 1.00 1.61 H new ATOM 0 HZ1 LYS A 63 -15.433 15.424 -12.748 1.00 2.42 H new ATOM 0 HZ2 LYS A 63 -15.109 13.945 -13.517 1.00 2.42 H new ATOM 0 HZ3 LYS A 63 -16.584 14.176 -12.708 1.00 2.42 H new ATOM 1020 N GLU A 64 -12.265 8.632 -9.313 1.00 1.01 N ATOM 1021 CA GLU A 64 -10.839 8.377 -9.522 1.00 1.02 C ATOM 1022 C GLU A 64 -10.120 8.200 -8.187 1.00 0.93 C ATOM 1023 O GLU A 64 -8.942 8.537 -8.047 1.00 1.02 O ATOM 1024 CB GLU A 64 -10.189 9.504 -10.331 1.00 1.16 C ATOM 1025 CG GLU A 64 -10.282 9.312 -11.836 1.00 1.41 C ATOM 1026 CD GLU A 64 -11.627 9.723 -12.405 1.00 1.38 C ATOM 1027 OE1 GLU A 64 -11.837 10.939 -12.624 1.00 2.13 O ATOM 1028 OE2 GLU A 64 -12.469 8.834 -12.652 1.00 1.50 O ATOM 0 H GLU A 64 -12.875 7.919 -9.713 1.00 1.01 H new ATOM 0 HA GLU A 64 -10.747 7.452 -10.092 1.00 1.02 H new ATOM 0 HB2 GLU A 64 -10.662 10.449 -10.065 1.00 1.16 H new ATOM 0 HB3 GLU A 64 -9.139 9.583 -10.048 1.00 1.16 H new ATOM 0 HG2 GLU A 64 -9.497 9.893 -12.320 1.00 1.41 H new ATOM 0 HG3 GLU A 64 -10.097 8.265 -12.075 1.00 1.41 H new ATOM 1035 N SER A 65 -10.842 7.656 -7.215 1.00 0.88 N ATOM 1036 CA SER A 65 -10.308 7.423 -5.883 1.00 0.92 C ATOM 1037 C SER A 65 -9.150 6.433 -5.926 1.00 0.80 C ATOM 1038 O SER A 65 -9.269 5.349 -6.499 1.00 0.74 O ATOM 1039 CB SER A 65 -11.427 6.899 -4.985 1.00 1.08 C ATOM 1040 OG SER A 65 -12.645 6.802 -5.710 1.00 1.07 O ATOM 0 H SER A 65 -11.813 7.365 -7.330 1.00 0.88 H new ATOM 0 HA SER A 65 -9.925 8.361 -5.481 1.00 0.92 H new ATOM 0 HB2 SER A 65 -11.155 5.921 -4.588 1.00 1.08 H new ATOM 0 HB3 SER A 65 -11.557 7.564 -4.131 1.00 1.08 H new ATOM 0 HG SER A 65 -13.178 7.611 -5.563 1.00 1.07 H new ATOM 1046 N THR A 66 -8.032 6.822 -5.336 1.00 0.82 N ATOM 1047 CA THR A 66 -6.851 5.981 -5.300 1.00 0.77 C ATOM 1048 C THR A 66 -6.706 5.332 -3.926 1.00 0.67 C ATOM 1049 O THR A 66 -6.247 5.963 -2.975 1.00 0.72 O ATOM 1050 CB THR A 66 -5.594 6.806 -5.627 1.00 0.95 C ATOM 1051 OG1 THR A 66 -5.922 7.801 -6.611 1.00 1.11 O ATOM 1052 CG2 THR A 66 -4.480 5.910 -6.146 1.00 1.37 C ATOM 0 H THR A 66 -7.919 7.723 -4.872 1.00 0.82 H new ATOM 0 HA THR A 66 -6.962 5.198 -6.051 1.00 0.77 H new ATOM 0 HB THR A 66 -5.244 7.291 -4.716 1.00 0.95 H new ATOM 0 HG1 THR A 66 -5.124 8.330 -6.820 1.00 1.11 H new ATOM 0 HG21 THR A 66 -3.601 6.515 -6.371 1.00 1.37 H new ATOM 0 HG22 THR A 66 -4.226 5.169 -5.388 1.00 1.37 H new ATOM 0 HG23 THR A 66 -4.813 5.403 -7.052 1.00 1.37 H new ATOM 1060 N LEU A 67 -7.121 4.078 -3.824 1.00 0.60 N ATOM 1061 CA LEU A 67 -7.043 3.354 -2.565 1.00 0.54 C ATOM 1062 C LEU A 67 -5.971 2.278 -2.635 1.00 0.48 C ATOM 1063 O LEU A 67 -5.656 1.771 -3.712 1.00 0.51 O ATOM 1064 CB LEU A 67 -8.394 2.722 -2.220 1.00 0.53 C ATOM 1065 CG LEU A 67 -9.591 3.677 -2.256 1.00 0.60 C ATOM 1066 CD1 LEU A 67 -10.362 3.520 -3.556 1.00 0.73 C ATOM 1067 CD2 LEU A 67 -10.499 3.443 -1.062 1.00 0.77 C ATOM 0 H LEU A 67 -7.515 3.542 -4.597 1.00 0.60 H new ATOM 0 HA LEU A 67 -6.779 4.065 -1.782 1.00 0.54 H new ATOM 0 HB2 LEU A 67 -8.582 1.904 -2.915 1.00 0.53 H new ATOM 0 HB3 LEU A 67 -8.328 2.285 -1.224 1.00 0.53 H new ATOM 0 HG LEU A 67 -9.215 4.699 -2.203 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -11.208 4.207 -3.562 1.00 0.73 H new ATOM 0 HD12 LEU A 67 -9.706 3.744 -4.397 1.00 0.73 H new ATOM 0 HD13 LEU A 67 -10.725 2.496 -3.642 1.00 0.73 H new ATOM 0 HD21 LEU A 67 -11.343 4.131 -1.106 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -10.866 2.417 -1.080 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -9.941 3.613 -0.141 1.00 0.77 H new ATOM 1079 N HIS A 68 -5.411 1.926 -1.488 1.00 0.49 N ATOM 1080 CA HIS A 68 -4.381 0.905 -1.433 1.00 0.49 C ATOM 1081 C HIS A 68 -4.833 -0.249 -0.544 1.00 0.46 C ATOM 1082 O HIS A 68 -5.122 -0.061 0.639 1.00 0.50 O ATOM 1083 CB HIS A 68 -3.067 1.495 -0.916 1.00 0.61 C ATOM 1084 CG HIS A 68 -1.887 0.585 -1.077 1.00 1.03 C ATOM 1085 ND1 HIS A 68 -1.217 0.035 -0.011 1.00 1.45 N ATOM 1086 CD2 HIS A 68 -1.270 0.119 -2.189 1.00 1.62 C ATOM 1087 CE1 HIS A 68 -0.235 -0.730 -0.457 1.00 2.01 C ATOM 1088 NE2 HIS A 68 -0.247 -0.701 -1.777 1.00 2.11 N ATOM 0 H HIS A 68 -5.653 2.333 -0.585 1.00 0.49 H new ATOM 0 HA HIS A 68 -4.213 0.525 -2.441 1.00 0.49 H new ATOM 0 HB2 HIS A 68 -2.868 2.429 -1.442 1.00 0.61 H new ATOM 0 HB3 HIS A 68 -3.182 1.742 0.139 1.00 0.61 H new ATOM 0 HD1 HIS A 68 -1.442 0.192 0.971 1.00 1.45 H new ATOM 0 HD2 HIS A 68 -1.533 0.349 -3.211 1.00 1.62 H new ATOM 0 HE1 HIS A 68 0.460 -1.285 0.155 1.00 2.01 H new ATOM 1097 N LEU A 69 -4.899 -1.437 -1.122 1.00 0.44 N ATOM 1098 CA LEU A 69 -5.315 -2.622 -0.390 1.00 0.44 C ATOM 1099 C LEU A 69 -4.106 -3.304 0.225 1.00 0.49 C ATOM 1100 O LEU A 69 -3.184 -3.715 -0.481 1.00 0.52 O ATOM 1101 CB LEU A 69 -6.057 -3.595 -1.312 1.00 0.48 C ATOM 1102 CG LEU A 69 -6.425 -4.942 -0.682 1.00 0.57 C ATOM 1103 CD1 LEU A 69 -7.345 -4.744 0.514 1.00 0.57 C ATOM 1104 CD2 LEU A 69 -7.084 -5.844 -1.714 1.00 0.64 C ATOM 0 H LEU A 69 -4.669 -1.607 -2.101 1.00 0.44 H new ATOM 0 HA LEU A 69 -5.995 -2.316 0.406 1.00 0.44 H new ATOM 0 HB2 LEU A 69 -6.971 -3.114 -1.661 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.439 -3.780 -2.191 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.510 -5.420 -0.333 1.00 0.57 H new ATOM 0 HD11 LEU A 69 -7.594 -5.713 0.946 1.00 0.57 H new ATOM 0 HD12 LEU A 69 -6.842 -4.131 1.262 1.00 0.57 H new ATOM 0 HD13 LEU A 69 -8.259 -4.245 0.191 1.00 0.57 H new ATOM 0 HD21 LEU A 69 -7.340 -6.798 -1.253 1.00 0.64 H new ATOM 0 HD22 LEU A 69 -7.990 -5.367 -2.089 1.00 0.64 H new ATOM 0 HD23 LEU A 69 -6.395 -6.014 -2.541 1.00 0.64 H new ATOM 1116 N VAL A 70 -4.106 -3.397 1.541 1.00 0.56 N ATOM 1117 CA VAL A 70 -3.020 -4.028 2.268 1.00 0.66 C ATOM 1118 C VAL A 70 -3.557 -5.218 3.057 1.00 0.74 C ATOM 1119 O VAL A 70 -4.762 -5.330 3.278 1.00 0.92 O ATOM 1120 CB VAL A 70 -2.334 -3.038 3.242 1.00 0.71 C ATOM 1121 CG1 VAL A 70 -0.918 -3.487 3.568 1.00 0.99 C ATOM 1122 CG2 VAL A 70 -2.326 -1.628 2.673 1.00 0.97 C ATOM 0 H VAL A 70 -4.855 -3.039 2.134 1.00 0.56 H new ATOM 0 HA VAL A 70 -2.279 -4.359 1.541 1.00 0.66 H new ATOM 0 HB VAL A 70 -2.912 -3.030 4.166 1.00 0.71 H new ATOM 0 HG11 VAL A 70 -0.459 -2.775 4.253 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -0.947 -4.472 4.034 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -0.332 -3.537 2.650 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -1.839 -0.954 3.378 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -1.783 -1.620 1.728 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -3.351 -1.298 2.505 1.00 0.97 H new ATOM 1132 N LEU A 71 -2.672 -6.112 3.455 1.00 0.77 N ATOM 1133 CA LEU A 71 -3.068 -7.270 4.236 1.00 0.87 C ATOM 1134 C LEU A 71 -2.863 -6.970 5.712 1.00 0.90 C ATOM 1135 O LEU A 71 -1.906 -6.284 6.077 1.00 1.01 O ATOM 1136 CB LEU A 71 -2.266 -8.507 3.822 1.00 0.95 C ATOM 1137 CG LEU A 71 -2.653 -9.103 2.468 1.00 1.05 C ATOM 1138 CD1 LEU A 71 -1.647 -10.158 2.046 1.00 1.26 C ATOM 1139 CD2 LEU A 71 -4.051 -9.698 2.529 1.00 1.52 C ATOM 0 H LEU A 71 -1.674 -6.059 3.251 1.00 0.77 H new ATOM 0 HA LEU A 71 -4.121 -7.482 4.052 1.00 0.87 H new ATOM 0 HB2 LEU A 71 -1.208 -8.245 3.798 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.387 -9.273 4.588 1.00 0.95 H new ATOM 0 HG LEU A 71 -2.649 -8.305 1.726 1.00 1.05 H new ATOM 0 HD11 LEU A 71 -1.937 -10.572 1.080 1.00 1.26 H new ATOM 0 HD12 LEU A 71 -0.658 -9.706 1.965 1.00 1.26 H new ATOM 0 HD13 LEU A 71 -1.622 -10.955 2.789 1.00 1.26 H new ATOM 0 HD21 LEU A 71 -4.311 -10.118 1.557 1.00 1.52 H new ATOM 0 HD22 LEU A 71 -4.079 -10.484 3.283 1.00 1.52 H new ATOM 0 HD23 LEU A 71 -4.767 -8.919 2.791 1.00 1.52 H new ATOM 1151 N ARG A 72 -3.767 -7.465 6.547 1.00 0.98 N ATOM 1152 CA ARG A 72 -3.694 -7.245 7.991 1.00 1.06 C ATOM 1153 C ARG A 72 -2.342 -7.675 8.561 1.00 0.98 C ATOM 1154 O ARG A 72 -1.773 -8.687 8.151 1.00 0.98 O ATOM 1155 CB ARG A 72 -4.821 -8.001 8.705 1.00 1.26 C ATOM 1156 CG ARG A 72 -4.883 -9.480 8.350 1.00 1.27 C ATOM 1157 CD ARG A 72 -5.148 -10.346 9.570 1.00 1.51 C ATOM 1158 NE ARG A 72 -4.021 -10.335 10.499 1.00 1.92 N ATOM 1159 CZ ARG A 72 -3.095 -11.291 10.558 1.00 2.21 C ATOM 1160 NH1 ARG A 72 -3.183 -12.362 9.773 1.00 2.37 N ATOM 1161 NH2 ARG A 72 -2.086 -11.184 11.409 1.00 2.72 N ATOM 0 H ARG A 72 -4.566 -8.026 6.249 1.00 0.98 H new ATOM 0 HA ARG A 72 -3.809 -6.175 8.163 1.00 1.06 H new ATOM 0 HB2 ARG A 72 -4.689 -7.900 9.782 1.00 1.26 H new ATOM 0 HB3 ARG A 72 -5.774 -7.536 8.455 1.00 1.26 H new ATOM 0 HG2 ARG A 72 -5.668 -9.643 7.612 1.00 1.27 H new ATOM 0 HG3 ARG A 72 -3.943 -9.782 7.888 1.00 1.27 H new ATOM 0 HD2 ARG A 72 -6.043 -9.990 10.080 1.00 1.51 H new ATOM 0 HD3 ARG A 72 -5.347 -11.370 9.253 1.00 1.51 H new ATOM 0 HE ARG A 72 -3.938 -9.547 11.142 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -3.962 -12.454 9.122 1.00 2.37 H new ATOM 0 HH12 ARG A 72 -2.471 -13.091 9.823 1.00 2.37 H new ATOM 0 HH21 ARG A 72 -2.018 -10.370 12.019 1.00 2.72 H new ATOM 0 HH22 ARG A 72 -1.377 -11.916 11.454 1.00 2.72 H new ATOM 1175 N LEU A 73 -1.823 -6.882 9.487 1.00 1.04 N ATOM 1176 CA LEU A 73 -0.553 -7.182 10.130 1.00 1.05 C ATOM 1177 C LEU A 73 -0.808 -7.802 11.497 1.00 1.17 C ATOM 1178 O LEU A 73 -0.192 -8.800 11.869 1.00 1.27 O ATOM 1179 CB LEU A 73 0.284 -5.908 10.284 1.00 1.16 C ATOM 1180 CG LEU A 73 1.659 -6.106 10.927 1.00 1.25 C ATOM 1181 CD1 LEU A 73 2.593 -6.852 9.987 1.00 1.23 C ATOM 1182 CD2 LEU A 73 2.262 -4.766 11.320 1.00 1.44 C ATOM 0 H LEU A 73 -2.265 -6.022 9.811 1.00 1.04 H new ATOM 0 HA LEU A 73 -0.001 -7.887 9.508 1.00 1.05 H new ATOM 0 HB2 LEU A 73 0.422 -5.462 9.299 1.00 1.16 H new ATOM 0 HB3 LEU A 73 -0.280 -5.192 10.882 1.00 1.16 H new ATOM 0 HG LEU A 73 1.529 -6.706 11.828 1.00 1.25 H new ATOM 0 HD11 LEU A 73 3.564 -6.981 10.465 1.00 1.23 H new ATOM 0 HD12 LEU A 73 2.170 -7.829 9.754 1.00 1.23 H new ATOM 0 HD13 LEU A 73 2.715 -6.281 9.067 1.00 1.23 H new ATOM 0 HD21 LEU A 73 3.239 -4.926 11.775 1.00 1.44 H new ATOM 0 HD22 LEU A 73 2.373 -4.143 10.433 1.00 1.44 H new ATOM 0 HD23 LEU A 73 1.606 -4.267 12.034 1.00 1.44 H new ATOM 1194 N ARG A 74 -1.734 -7.204 12.233 1.00 1.29 N ATOM 1195 CA ARG A 74 -2.091 -7.679 13.558 1.00 1.48 C ATOM 1196 C ARG A 74 -3.367 -8.506 13.510 1.00 1.52 C ATOM 1197 O ARG A 74 -4.122 -8.452 12.536 1.00 1.42 O ATOM 1198 CB ARG A 74 -2.292 -6.500 14.511 1.00 1.65 C ATOM 1199 CG ARG A 74 -1.066 -6.160 15.340 1.00 1.66 C ATOM 1200 CD ARG A 74 -1.419 -5.208 16.474 1.00 1.87 C ATOM 1201 NE ARG A 74 -0.280 -4.938 17.353 1.00 2.02 N ATOM 1202 CZ ARG A 74 -0.216 -5.306 18.637 1.00 2.49 C ATOM 1203 NH1 ARG A 74 -1.227 -5.959 19.204 1.00 3.05 N ATOM 1204 NH2 ARG A 74 0.862 -5.012 19.353 1.00 2.67 N ATOM 0 H ARG A 74 -2.255 -6.381 11.929 1.00 1.29 H new ATOM 0 HA ARG A 74 -1.274 -8.304 13.920 1.00 1.48 H new ATOM 0 HB2 ARG A 74 -2.581 -5.623 13.932 1.00 1.65 H new ATOM 0 HB3 ARG A 74 -3.121 -6.726 15.182 1.00 1.65 H new ATOM 0 HG2 ARG A 74 -0.635 -7.074 15.749 1.00 1.66 H new ATOM 0 HG3 ARG A 74 -0.307 -5.706 14.703 1.00 1.66 H new ATOM 0 HD2 ARG A 74 -1.782 -4.269 16.056 1.00 1.87 H new ATOM 0 HD3 ARG A 74 -2.234 -5.632 17.060 1.00 1.87 H new ATOM 0 HE ARG A 74 0.517 -4.436 16.960 1.00 2.02 H new ATOM 0 HH11 ARG A 74 -2.059 -6.183 18.659 1.00 3.05 H new ATOM 0 HH12 ARG A 74 -1.170 -6.236 20.184 1.00 3.05 H new ATOM 0 HH21 ARG A 74 1.637 -4.507 18.924 1.00 2.67 H new ATOM 0 HH22 ARG A 74 0.915 -5.291 20.333 1.00 2.67 H new ATOM 1319 N GLY B 55 21.717 -0.581 -11.237 1.00 1.77 N ATOM 1320 CA GLY B 55 20.757 0.479 -11.469 1.00 1.76 C ATOM 1321 C GLY B 55 20.451 1.250 -10.204 1.00 1.40 C ATOM 1322 O GLY B 55 19.803 0.730 -9.297 1.00 1.29 O ATOM 0 HA2 GLY B 55 21.145 1.161 -12.225 1.00 1.76 H new ATOM 0 HA3 GLY B 55 19.836 0.054 -11.867 1.00 1.76 H new ATOM 1326 N LYS B 56 20.937 2.479 -10.129 1.00 1.43 N ATOM 1327 CA LYS B 56 20.710 3.320 -8.962 1.00 1.15 C ATOM 1328 C LYS B 56 19.692 4.404 -9.277 1.00 1.13 C ATOM 1329 O LYS B 56 19.905 5.225 -10.172 1.00 1.19 O ATOM 1330 CB LYS B 56 22.024 3.954 -8.499 1.00 1.16 C ATOM 1331 CG LYS B 56 22.989 2.967 -7.867 1.00 1.14 C ATOM 1332 CD LYS B 56 22.504 2.519 -6.499 1.00 1.03 C ATOM 1333 CE LYS B 56 23.449 1.505 -5.883 1.00 1.13 C ATOM 1334 NZ LYS B 56 23.002 1.074 -4.533 1.00 1.04 N ATOM 0 H LYS B 56 21.492 2.918 -10.863 1.00 1.43 H new ATOM 0 HA LYS B 56 20.318 2.695 -8.159 1.00 1.15 H new ATOM 0 HB2 LYS B 56 22.509 4.427 -9.353 1.00 1.16 H new ATOM 0 HB3 LYS B 56 21.803 4.743 -7.780 1.00 1.16 H new ATOM 0 HG2 LYS B 56 23.103 2.099 -8.517 1.00 1.14 H new ATOM 0 HG3 LYS B 56 23.973 3.426 -7.774 1.00 1.14 H new ATOM 0 HD2 LYS B 56 22.416 3.384 -5.841 1.00 1.03 H new ATOM 0 HD3 LYS B 56 21.509 2.084 -6.588 1.00 1.03 H new ATOM 0 HE2 LYS B 56 23.522 0.635 -6.535 1.00 1.13 H new ATOM 0 HE3 LYS B 56 24.448 1.936 -5.813 1.00 1.13 H new ATOM 0 HZ1 LYS B 56 23.816 0.713 -3.996 1.00 1.04 H new ATOM 0 HZ2 LYS B 56 22.587 1.884 -4.030 1.00 1.04 H new ATOM 0 HZ3 LYS B 56 22.289 0.323 -4.627 1.00 1.04 H new ATOM 1348 N VAL B 57 18.586 4.400 -8.548 1.00 1.12 N ATOM 1349 CA VAL B 57 17.537 5.385 -8.758 1.00 1.13 C ATOM 1350 C VAL B 57 17.803 6.637 -7.932 1.00 1.07 C ATOM 1351 O VAL B 57 17.904 6.576 -6.705 1.00 0.99 O ATOM 1352 CB VAL B 57 16.140 4.829 -8.401 1.00 1.11 C ATOM 1353 CG1 VAL B 57 15.050 5.760 -8.922 1.00 1.23 C ATOM 1354 CG2 VAL B 57 15.957 3.418 -8.948 1.00 1.15 C ATOM 0 H VAL B 57 18.392 3.726 -7.807 1.00 1.12 H new ATOM 0 HA VAL B 57 17.546 5.634 -9.819 1.00 1.13 H new ATOM 0 HB VAL B 57 16.059 4.777 -7.315 1.00 1.11 H new ATOM 0 HG11 VAL B 57 14.072 5.355 -8.663 1.00 1.23 H new ATOM 0 HG12 VAL B 57 15.166 6.745 -8.470 1.00 1.23 H new ATOM 0 HG13 VAL B 57 15.132 5.846 -10.006 1.00 1.23 H new ATOM 0 HG21 VAL B 57 14.966 3.051 -8.683 1.00 1.15 H new ATOM 0 HG22 VAL B 57 16.060 3.432 -10.033 1.00 1.15 H new ATOM 0 HG23 VAL B 57 16.714 2.761 -8.520 1.00 1.15 H new ATOM 1364 N LEU B 58 17.931 7.763 -8.613 1.00 1.14 N ATOM 1365 CA LEU B 58 18.182 9.033 -7.956 1.00 1.13 C ATOM 1366 C LEU B 58 16.882 9.654 -7.458 1.00 1.12 C ATOM 1367 O LEU B 58 16.151 10.289 -8.221 1.00 1.20 O ATOM 1368 CB LEU B 58 18.891 9.990 -8.921 1.00 1.28 C ATOM 1369 CG LEU B 58 19.027 11.439 -8.435 1.00 1.36 C ATOM 1370 CD1 LEU B 58 20.032 11.536 -7.297 1.00 1.29 C ATOM 1371 CD2 LEU B 58 19.443 12.345 -9.581 1.00 1.76 C ATOM 0 H LEU B 58 17.864 7.822 -9.629 1.00 1.14 H new ATOM 0 HA LEU B 58 18.825 8.854 -7.094 1.00 1.13 H new ATOM 0 HB2 LEU B 58 19.888 9.599 -9.126 1.00 1.28 H new ATOM 0 HB3 LEU B 58 18.349 9.992 -9.867 1.00 1.28 H new ATOM 0 HG LEU B 58 18.056 11.765 -8.064 1.00 1.36 H new ATOM 0 HD11 LEU B 58 20.111 12.572 -6.969 1.00 1.29 H new ATOM 0 HD12 LEU B 58 19.699 10.916 -6.464 1.00 1.29 H new ATOM 0 HD13 LEU B 58 21.006 11.189 -7.641 1.00 1.29 H new ATOM 0 HD21 LEU B 58 19.535 13.369 -9.220 1.00 1.76 H new ATOM 0 HD22 LEU B 58 20.402 12.012 -9.978 1.00 1.76 H new ATOM 0 HD23 LEU B 58 18.691 12.304 -10.369 1.00 1.76 H new ATOM 1383 N TYR B 59 16.589 9.457 -6.183 1.00 1.06 N ATOM 1384 CA TYR B 59 15.388 10.018 -5.597 1.00 1.06 C ATOM 1385 C TYR B 59 15.737 11.353 -4.942 1.00 1.09 C ATOM 1386 O TYR B 59 16.617 11.423 -4.079 1.00 1.06 O ATOM 1387 CB TYR B 59 14.731 9.025 -4.610 1.00 0.97 C ATOM 1388 CG TYR B 59 15.123 9.188 -3.152 1.00 0.89 C ATOM 1389 CD1 TYR B 59 16.326 8.687 -2.672 1.00 1.03 C ATOM 1390 CD2 TYR B 59 14.284 9.845 -2.260 1.00 1.03 C ATOM 1391 CE1 TYR B 59 16.684 8.838 -1.347 1.00 1.28 C ATOM 1392 CE2 TYR B 59 14.636 10.000 -0.932 1.00 1.27 C ATOM 1393 CZ TYR B 59 15.836 9.496 -0.481 1.00 1.38 C ATOM 1394 OH TYR B 59 16.191 9.652 0.841 1.00 1.77 O ATOM 0 H TYR B 59 17.165 8.915 -5.539 1.00 1.06 H new ATOM 0 HA TYR B 59 14.646 10.200 -6.375 1.00 1.06 H new ATOM 0 HB2 TYR B 59 13.649 9.125 -4.689 1.00 0.97 H new ATOM 0 HB3 TYR B 59 14.981 8.011 -4.923 1.00 0.97 H new ATOM 0 HD1 TYR B 59 16.993 8.171 -3.347 1.00 1.03 H new ATOM 0 HD2 TYR B 59 13.342 10.241 -2.610 1.00 1.03 H new ATOM 0 HE1 TYR B 59 17.624 8.443 -0.990 1.00 1.28 H new ATOM 0 HE2 TYR B 59 13.973 10.514 -0.251 1.00 1.27 H new ATOM 0 HH TYR B 59 15.797 10.478 1.190 1.00 1.77 H new ATOM 1404 N GLU B 60 15.082 12.412 -5.410 1.00 1.18 N ATOM 1405 CA GLU B 60 15.301 13.771 -4.909 1.00 1.24 C ATOM 1406 C GLU B 60 16.758 14.210 -5.123 1.00 1.34 C ATOM 1407 O GLU B 60 17.081 14.844 -6.128 1.00 1.90 O ATOM 1408 CB GLU B 60 14.910 13.881 -3.430 1.00 1.13 C ATOM 1409 CG GLU B 60 13.529 13.322 -3.122 1.00 1.09 C ATOM 1410 CD GLU B 60 12.430 13.972 -3.938 1.00 1.49 C ATOM 1411 OE1 GLU B 60 11.910 15.024 -3.513 1.00 2.02 O ATOM 1412 OE2 GLU B 60 12.072 13.432 -5.004 1.00 1.66 O ATOM 0 H GLU B 60 14.382 12.354 -6.150 1.00 1.18 H new ATOM 0 HA GLU B 60 14.660 14.444 -5.479 1.00 1.24 H new ATOM 0 HB2 GLU B 60 15.649 13.353 -2.827 1.00 1.13 H new ATOM 0 HB3 GLU B 60 14.944 14.929 -3.131 1.00 1.13 H new ATOM 0 HG2 GLU B 60 13.527 12.249 -3.311 1.00 1.09 H new ATOM 0 HG3 GLU B 60 13.316 13.459 -2.062 1.00 1.09 H new ATOM 1419 N GLY B 61 17.637 13.848 -4.194 1.00 1.27 N ATOM 1420 CA GLY B 61 19.034 14.214 -4.309 1.00 1.32 C ATOM 1421 C GLY B 61 19.973 13.100 -3.876 1.00 1.22 C ATOM 1422 O GLY B 61 21.164 13.330 -3.659 1.00 1.33 O ATOM 0 H GLY B 61 17.404 13.306 -3.362 1.00 1.27 H new ATOM 0 HA2 GLY B 61 19.250 14.484 -5.343 1.00 1.32 H new ATOM 0 HA3 GLY B 61 19.224 15.099 -3.702 1.00 1.32 H new ATOM 1426 N LYS B 62 19.444 11.890 -3.755 1.00 1.08 N ATOM 1427 CA LYS B 62 20.246 10.746 -3.338 1.00 1.02 C ATOM 1428 C LYS B 62 19.878 9.512 -4.149 1.00 1.00 C ATOM 1429 O LYS B 62 18.705 9.252 -4.398 1.00 1.00 O ATOM 1430 CB LYS B 62 20.042 10.480 -1.843 1.00 0.92 C ATOM 1431 CG LYS B 62 20.932 9.381 -1.284 1.00 0.90 C ATOM 1432 CD LYS B 62 20.760 9.225 0.220 1.00 0.94 C ATOM 1433 CE LYS B 62 21.208 10.475 0.962 1.00 1.30 C ATOM 1434 NZ LYS B 62 21.138 10.304 2.436 1.00 1.59 N ATOM 0 H LYS B 62 18.464 11.675 -3.939 1.00 1.08 H new ATOM 0 HA LYS B 62 21.297 10.973 -3.516 1.00 1.02 H new ATOM 0 HB2 LYS B 62 20.230 11.401 -1.291 1.00 0.92 H new ATOM 0 HB3 LYS B 62 19.000 10.212 -1.671 1.00 0.92 H new ATOM 0 HG2 LYS B 62 20.697 8.437 -1.777 1.00 0.90 H new ATOM 0 HG3 LYS B 62 21.974 9.607 -1.509 1.00 0.90 H new ATOM 0 HD2 LYS B 62 19.714 9.019 0.449 1.00 0.94 H new ATOM 0 HD3 LYS B 62 21.337 8.368 0.567 1.00 0.94 H new ATOM 0 HE2 LYS B 62 22.230 10.720 0.674 1.00 1.30 H new ATOM 0 HE3 LYS B 62 20.582 11.317 0.665 1.00 1.30 H new ATOM 0 HZ1 LYS B 62 21.452 11.179 2.902 1.00 1.59 H new ATOM 0 HZ2 LYS B 62 20.158 10.095 2.715 1.00 1.59 H new ATOM 0 HZ3 LYS B 62 21.755 9.518 2.724 1.00 1.59 H new ATOM 1448 N GLU B 63 20.886 8.768 -4.576 1.00 1.03 N ATOM 1449 CA GLU B 63 20.663 7.559 -5.353 1.00 1.06 C ATOM 1450 C GLU B 63 20.590 6.349 -4.436 1.00 0.95 C ATOM 1451 O GLU B 63 21.424 6.185 -3.542 1.00 0.93 O ATOM 1452 CB GLU B 63 21.773 7.355 -6.388 1.00 1.22 C ATOM 1453 CG GLU B 63 22.223 8.635 -7.066 1.00 1.48 C ATOM 1454 CD GLU B 63 23.442 9.242 -6.403 1.00 1.64 C ATOM 1455 OE1 GLU B 63 23.396 9.506 -5.183 1.00 1.90 O ATOM 1456 OE2 GLU B 63 24.459 9.443 -7.096 1.00 2.14 O ATOM 0 H GLU B 63 21.868 8.980 -4.397 1.00 1.03 H new ATOM 0 HA GLU B 63 19.715 7.671 -5.880 1.00 1.06 H new ATOM 0 HB2 GLU B 63 22.631 6.893 -5.900 1.00 1.22 H new ATOM 0 HB3 GLU B 63 21.424 6.656 -7.148 1.00 1.22 H new ATOM 0 HG2 GLU B 63 22.447 8.429 -8.113 1.00 1.48 H new ATOM 0 HG3 GLU B 63 21.407 9.357 -7.051 1.00 1.48 H new ATOM 1463 N PHE B 64 19.586 5.518 -4.656 1.00 0.93 N ATOM 1464 CA PHE B 64 19.400 4.316 -3.860 1.00 0.85 C ATOM 1465 C PHE B 64 19.173 3.115 -4.769 1.00 0.91 C ATOM 1466 O PHE B 64 19.128 3.256 -5.993 1.00 1.02 O ATOM 1467 CB PHE B 64 18.219 4.484 -2.899 1.00 0.74 C ATOM 1468 CG PHE B 64 18.626 4.554 -1.455 1.00 0.71 C ATOM 1469 CD1 PHE B 64 19.162 5.717 -0.928 1.00 0.79 C ATOM 1470 CD2 PHE B 64 18.471 3.455 -0.626 1.00 0.65 C ATOM 1471 CE1 PHE B 64 19.536 5.783 0.399 1.00 0.82 C ATOM 1472 CE2 PHE B 64 18.843 3.514 0.703 1.00 0.68 C ATOM 1473 CZ PHE B 64 19.376 4.682 1.217 1.00 0.77 C ATOM 0 H PHE B 64 18.884 5.654 -5.383 1.00 0.93 H new ATOM 0 HA PHE B 64 20.302 4.147 -3.271 1.00 0.85 H new ATOM 0 HB2 PHE B 64 17.676 5.392 -3.159 1.00 0.74 H new ATOM 0 HB3 PHE B 64 17.530 3.650 -3.034 1.00 0.74 H new ATOM 0 HD1 PHE B 64 19.289 6.582 -1.562 1.00 0.79 H new ATOM 0 HD2 PHE B 64 18.054 2.541 -1.023 1.00 0.65 H new ATOM 0 HE1 PHE B 64 19.954 6.696 0.798 1.00 0.82 H new ATOM 0 HE2 PHE B 64 18.718 2.650 1.339 1.00 0.68 H new ATOM 0 HZ PHE B 64 19.666 4.733 2.256 1.00 0.77 H new ATOM 1483 N ASP B 65 19.041 1.941 -4.166 1.00 0.87 N ATOM 1484 CA ASP B 65 18.817 0.707 -4.917 1.00 0.94 C ATOM 1485 C ASP B 65 17.490 0.763 -5.656 1.00 1.03 C ATOM 1486 O ASP B 65 17.455 0.857 -6.881 1.00 1.18 O ATOM 1487 CB ASP B 65 18.831 -0.505 -3.980 1.00 0.88 C ATOM 1488 CG ASP B 65 20.171 -0.715 -3.308 1.00 0.84 C ATOM 1489 OD1 ASP B 65 20.526 0.084 -2.413 1.00 1.13 O ATOM 1490 OD2 ASP B 65 20.871 -1.683 -3.660 1.00 1.39 O ATOM 0 H ASP B 65 19.085 1.814 -3.155 1.00 0.87 H new ATOM 0 HA ASP B 65 19.624 0.605 -5.643 1.00 0.94 H new ATOM 0 HB2 ASP B 65 18.064 -0.376 -3.217 1.00 0.88 H new ATOM 0 HB3 ASP B 65 18.570 -1.399 -4.547 1.00 0.88 H new ATOM 1495 N TYR B 66 16.401 0.709 -4.907 1.00 0.99 N ATOM 1496 CA TYR B 66 15.072 0.758 -5.493 1.00 1.12 C ATOM 1497 C TYR B 66 14.200 1.735 -4.721 1.00 0.95 C ATOM 1498 O TYR B 66 14.384 1.920 -3.519 1.00 0.88 O ATOM 1499 CB TYR B 66 14.425 -0.634 -5.485 1.00 1.31 C ATOM 1500 CG TYR B 66 15.239 -1.700 -6.186 1.00 1.57 C ATOM 1501 CD1 TYR B 66 15.294 -1.758 -7.573 1.00 1.79 C ATOM 1502 CD2 TYR B 66 15.946 -2.649 -5.460 1.00 1.64 C ATOM 1503 CE1 TYR B 66 16.033 -2.729 -8.216 1.00 2.05 C ATOM 1504 CE2 TYR B 66 16.688 -3.624 -6.097 1.00 1.89 C ATOM 1505 CZ TYR B 66 16.729 -3.659 -7.474 1.00 2.08 C ATOM 1506 OH TYR B 66 17.465 -4.628 -8.114 1.00 2.34 O ATOM 0 H TYR B 66 16.411 0.631 -3.890 1.00 0.99 H new ATOM 0 HA TYR B 66 15.163 1.094 -6.526 1.00 1.12 H new ATOM 0 HB2 TYR B 66 14.260 -0.940 -4.452 1.00 1.31 H new ATOM 0 HB3 TYR B 66 13.446 -0.570 -5.959 1.00 1.31 H new ATOM 0 HD1 TYR B 66 14.749 -1.031 -8.157 1.00 1.79 H new ATOM 0 HD2 TYR B 66 15.915 -2.624 -4.381 1.00 1.64 H new ATOM 0 HE1 TYR B 66 16.066 -2.760 -9.295 1.00 2.05 H new ATOM 0 HE2 TYR B 66 17.233 -4.355 -5.519 1.00 1.89 H new ATOM 0 HH TYR B 66 17.896 -5.204 -7.449 1.00 2.34 H new ATOM 1516 N VAL B 67 13.262 2.365 -5.410 1.00 0.97 N ATOM 1517 CA VAL B 67 12.362 3.316 -4.773 1.00 0.85 C ATOM 1518 C VAL B 67 10.911 2.914 -5.000 1.00 0.86 C ATOM 1519 O VAL B 67 10.547 2.434 -6.077 1.00 1.09 O ATOM 1520 CB VAL B 67 12.579 4.764 -5.276 1.00 0.87 C ATOM 1521 CG1 VAL B 67 13.961 5.270 -4.885 1.00 0.85 C ATOM 1522 CG2 VAL B 67 12.382 4.857 -6.783 1.00 1.05 C ATOM 0 H VAL B 67 13.103 2.236 -6.409 1.00 0.97 H new ATOM 0 HA VAL B 67 12.590 3.295 -3.707 1.00 0.85 H new ATOM 0 HB VAL B 67 11.832 5.398 -4.798 1.00 0.87 H new ATOM 0 HG11 VAL B 67 14.092 6.289 -5.249 1.00 0.85 H new ATOM 0 HG12 VAL B 67 14.060 5.257 -3.800 1.00 0.85 H new ATOM 0 HG13 VAL B 67 14.722 4.627 -5.327 1.00 0.85 H new ATOM 0 HG21 VAL B 67 12.541 5.885 -7.108 1.00 1.05 H new ATOM 0 HG22 VAL B 67 13.096 4.204 -7.284 1.00 1.05 H new ATOM 0 HG23 VAL B 67 11.368 4.549 -7.037 1.00 1.05 H new ATOM 1532 N PHE B 68 10.091 3.094 -3.981 1.00 0.75 N ATOM 1533 CA PHE B 68 8.681 2.752 -4.067 1.00 0.79 C ATOM 1534 C PHE B 68 7.820 4.009 -4.021 1.00 0.81 C ATOM 1535 O PHE B 68 8.063 4.916 -3.218 1.00 0.77 O ATOM 1536 CB PHE B 68 8.294 1.798 -2.934 1.00 0.78 C ATOM 1537 CG PHE B 68 8.970 0.456 -3.018 1.00 1.42 C ATOM 1538 CD1 PHE B 68 8.543 -0.490 -3.936 1.00 1.76 C ATOM 1539 CD2 PHE B 68 10.029 0.144 -2.182 1.00 2.40 C ATOM 1540 CE1 PHE B 68 9.161 -1.723 -4.019 1.00 2.77 C ATOM 1541 CE2 PHE B 68 10.649 -1.088 -2.260 1.00 3.40 C ATOM 1542 CZ PHE B 68 10.215 -2.023 -3.181 1.00 3.53 C ATOM 0 H PHE B 68 10.378 3.477 -3.080 1.00 0.75 H new ATOM 0 HA PHE B 68 8.506 2.251 -5.019 1.00 0.79 H new ATOM 0 HB2 PHE B 68 8.543 2.261 -1.979 1.00 0.78 H new ATOM 0 HB3 PHE B 68 7.214 1.653 -2.946 1.00 0.78 H new ATOM 0 HD1 PHE B 68 7.718 -0.261 -4.594 1.00 1.76 H new ATOM 0 HD2 PHE B 68 10.374 0.871 -1.462 1.00 2.40 H new ATOM 0 HE1 PHE B 68 8.819 -2.451 -4.739 1.00 2.77 H new ATOM 0 HE2 PHE B 68 11.473 -1.321 -1.601 1.00 3.40 H new ATOM 0 HZ PHE B 68 10.700 -2.986 -3.244 1.00 3.53 H new ATOM 1552 N SER B 69 6.835 4.067 -4.906 1.00 0.93 N ATOM 1553 CA SER B 69 5.926 5.198 -4.981 1.00 0.99 C ATOM 1554 C SER B 69 4.857 5.110 -3.900 1.00 1.07 C ATOM 1555 O SER B 69 4.030 4.191 -3.896 1.00 1.23 O ATOM 1556 CB SER B 69 5.279 5.247 -6.367 1.00 1.13 C ATOM 1557 OG SER B 69 5.311 3.968 -6.988 1.00 1.37 O ATOM 0 H SER B 69 6.645 3.334 -5.589 1.00 0.93 H new ATOM 0 HA SER B 69 6.494 6.114 -4.817 1.00 0.99 H new ATOM 0 HB2 SER B 69 4.247 5.587 -6.279 1.00 1.13 H new ATOM 0 HB3 SER B 69 5.802 5.972 -6.991 1.00 1.13 H new ATOM 0 HG SER B 69 4.891 4.023 -7.872 1.00 1.37 H new ATOM 1563 N ILE B 70 4.876 6.060 -2.981 1.00 1.01 N ATOM 1564 CA ILE B 70 3.911 6.085 -1.894 1.00 1.12 C ATOM 1565 C ILE B 70 2.669 6.880 -2.282 1.00 1.08 C ATOM 1566 O ILE B 70 2.759 8.031 -2.719 1.00 1.10 O ATOM 1567 CB ILE B 70 4.528 6.686 -0.614 1.00 1.21 C ATOM 1568 CG1 ILE B 70 5.706 5.829 -0.145 1.00 1.41 C ATOM 1569 CG2 ILE B 70 3.482 6.808 0.486 1.00 1.35 C ATOM 1570 CD1 ILE B 70 6.410 6.373 1.079 1.00 1.62 C ATOM 0 H ILE B 70 5.550 6.826 -2.965 1.00 1.01 H new ATOM 0 HA ILE B 70 3.623 5.053 -1.695 1.00 1.12 H new ATOM 0 HB ILE B 70 4.893 7.687 -0.843 1.00 1.21 H new ATOM 0 HG12 ILE B 70 5.347 4.823 0.071 1.00 1.41 H new ATOM 0 HG13 ILE B 70 6.427 5.743 -0.958 1.00 1.41 H new ATOM 0 HG21 ILE B 70 3.940 7.234 1.378 1.00 1.35 H new ATOM 0 HG22 ILE B 70 2.673 7.456 0.149 1.00 1.35 H new ATOM 0 HG23 ILE B 70 3.083 5.821 0.719 1.00 1.35 H new ATOM 0 HD11 ILE B 70 7.233 5.711 1.350 1.00 1.62 H new ATOM 0 HD12 ILE B 70 6.801 7.367 0.862 1.00 1.62 H new ATOM 0 HD13 ILE B 70 5.705 6.433 1.908 1.00 1.62 H new ATOM 1582 N ASP B 71 1.511 6.253 -2.134 1.00 1.20 N ATOM 1583 CA ASP B 71 0.244 6.894 -2.448 1.00 1.30 C ATOM 1584 C ASP B 71 -0.345 7.501 -1.183 1.00 1.30 C ATOM 1585 O ASP B 71 -0.860 6.785 -0.324 1.00 1.46 O ATOM 1586 CB ASP B 71 -0.744 5.886 -3.052 1.00 1.55 C ATOM 1587 CG ASP B 71 -0.236 5.250 -4.334 1.00 1.54 C ATOM 1588 OD1 ASP B 71 -0.013 5.979 -5.320 1.00 1.89 O ATOM 1589 OD2 ASP B 71 -0.057 4.011 -4.361 1.00 1.95 O ATOM 0 H ASP B 71 1.424 5.295 -1.796 1.00 1.20 H new ATOM 0 HA ASP B 71 0.423 7.679 -3.183 1.00 1.30 H new ATOM 0 HB2 ASP B 71 -0.948 5.103 -2.321 1.00 1.55 H new ATOM 0 HB3 ASP B 71 -1.690 6.389 -3.253 1.00 1.55 H new ATOM 1594 N VAL B 72 -0.239 8.820 -1.049 1.00 1.31 N ATOM 1595 CA VAL B 72 -0.765 9.511 0.124 1.00 1.39 C ATOM 1596 C VAL B 72 -2.286 9.681 0.034 1.00 1.60 C ATOM 1597 O VAL B 72 -3.018 9.251 0.926 1.00 1.74 O ATOM 1598 CB VAL B 72 -0.074 10.887 0.333 1.00 1.41 C ATOM 1599 CG1 VAL B 72 -0.023 11.696 -0.956 1.00 1.50 C ATOM 1600 CG2 VAL B 72 -0.759 11.682 1.437 1.00 1.98 C ATOM 0 H VAL B 72 0.205 9.430 -1.736 1.00 1.31 H new ATOM 0 HA VAL B 72 -0.542 8.888 0.991 1.00 1.39 H new ATOM 0 HB VAL B 72 0.953 10.687 0.639 1.00 1.41 H new ATOM 0 HG11 VAL B 72 0.468 12.651 -0.767 1.00 1.50 H new ATOM 0 HG12 VAL B 72 0.537 11.143 -1.710 1.00 1.50 H new ATOM 0 HG13 VAL B 72 -1.037 11.874 -1.314 1.00 1.50 H new ATOM 0 HG21 VAL B 72 -0.255 12.640 1.562 1.00 1.98 H new ATOM 0 HG22 VAL B 72 -1.802 11.853 1.169 1.00 1.98 H new ATOM 0 HG23 VAL B 72 -0.711 11.123 2.371 1.00 1.98 H new ATOM 1610 N ASN B 73 -2.744 10.288 -1.055 1.00 1.74 N ATOM 1611 CA ASN B 73 -4.165 10.526 -1.290 1.00 2.04 C ATOM 1612 C ASN B 73 -4.336 11.234 -2.621 1.00 2.10 C ATOM 1613 O ASN B 73 -4.995 10.732 -3.529 1.00 2.56 O ATOM 1614 CB ASN B 73 -4.785 11.375 -0.172 1.00 2.45 C ATOM 1615 CG ASN B 73 -6.284 11.549 -0.338 1.00 3.02 C ATOM 1616 OD1 ASN B 73 -6.967 10.686 -0.881 1.00 3.36 O ATOM 1617 ND2 ASN B 73 -6.803 12.668 0.138 1.00 3.55 N ATOM 0 H ASN B 73 -2.140 10.630 -1.802 1.00 1.74 H new ATOM 0 HA ASN B 73 -4.678 9.564 -1.304 1.00 2.04 H new ATOM 0 HB2 ASN B 73 -4.581 10.907 0.791 1.00 2.45 H new ATOM 0 HB3 ASN B 73 -4.308 12.355 -0.157 1.00 2.45 H new ATOM 0 HD21 ASN B 73 -7.806 12.838 0.061 1.00 3.55 H new ATOM 0 HD22 ASN B 73 -6.201 13.361 0.583 1.00 3.55 H new ATOM 1624 N GLU B 74 -3.721 12.401 -2.732 1.00 2.11 N ATOM 1625 CA GLU B 74 -3.775 13.180 -3.955 1.00 2.37 C ATOM 1626 C GLU B 74 -2.581 12.834 -4.837 1.00 2.06 C ATOM 1627 O GLU B 74 -1.663 12.136 -4.398 1.00 2.44 O ATOM 1628 CB GLU B 74 -3.769 14.673 -3.630 1.00 3.12 C ATOM 1629 CG GLU B 74 -4.882 15.096 -2.681 1.00 3.50 C ATOM 1630 CD GLU B 74 -4.677 16.489 -2.126 1.00 4.28 C ATOM 1631 OE1 GLU B 74 -5.003 17.466 -2.831 1.00 4.70 O ATOM 1632 OE2 GLU B 74 -4.185 16.615 -0.984 1.00 4.76 O ATOM 0 H GLU B 74 -3.176 12.830 -1.984 1.00 2.11 H new ATOM 0 HA GLU B 74 -4.696 12.942 -4.488 1.00 2.37 H new ATOM 0 HB2 GLU B 74 -2.808 14.936 -3.189 1.00 3.12 H new ATOM 0 HB3 GLU B 74 -3.860 15.238 -4.558 1.00 3.12 H new ATOM 0 HG2 GLU B 74 -5.837 15.055 -3.206 1.00 3.50 H new ATOM 0 HG3 GLU B 74 -4.941 14.386 -1.856 1.00 3.50 H new ATOM 1639 N GLY B 75 -2.577 13.339 -6.063 1.00 1.96 N ATOM 1640 CA GLY B 75 -1.483 13.068 -6.977 1.00 1.83 C ATOM 1641 C GLY B 75 -0.298 13.985 -6.735 1.00 1.79 C ATOM 1642 O GLY B 75 0.209 14.619 -7.661 1.00 2.16 O ATOM 0 H GLY B 75 -3.314 13.933 -6.443 1.00 1.96 H new ATOM 0 HA2 GLY B 75 -1.167 12.031 -6.866 1.00 1.83 H new ATOM 0 HA3 GLY B 75 -1.830 13.188 -8.003 1.00 1.83 H new ATOM 1646 N GLY B 76 0.140 14.049 -5.484 1.00 1.70 N ATOM 1647 CA GLY B 76 1.251 14.894 -5.117 1.00 1.72 C ATOM 1648 C GLY B 76 0.979 15.573 -3.781 1.00 1.64 C ATOM 1649 O GLY B 76 -0.147 16.004 -3.528 1.00 1.74 O ATOM 0 H GLY B 76 -0.264 13.521 -4.710 1.00 1.70 H new ATOM 0 HA2 GLY B 76 2.163 14.300 -5.052 1.00 1.72 H new ATOM 0 HA3 GLY B 76 1.415 15.646 -5.888 1.00 1.72 H new ATOM 1653 N PRO B 77 1.986 15.698 -2.906 1.00 1.48 N ATOM 1654 CA PRO B 77 3.342 15.211 -3.162 1.00 1.39 C ATOM 1655 C PRO B 77 3.474 13.697 -3.000 1.00 1.29 C ATOM 1656 O PRO B 77 3.093 13.128 -1.974 1.00 1.33 O ATOM 1657 CB PRO B 77 4.171 15.944 -2.108 1.00 1.36 C ATOM 1658 CG PRO B 77 3.234 16.155 -0.969 1.00 1.41 C ATOM 1659 CD PRO B 77 1.868 16.328 -1.576 1.00 1.46 C ATOM 0 HA PRO B 77 3.657 15.399 -4.188 1.00 1.39 H new ATOM 0 HB2 PRO B 77 5.036 15.355 -1.805 1.00 1.36 H new ATOM 0 HB3 PRO B 77 4.549 16.892 -2.491 1.00 1.36 H new ATOM 0 HG2 PRO B 77 3.252 15.305 -0.287 1.00 1.41 H new ATOM 0 HG3 PRO B 77 3.517 17.034 -0.390 1.00 1.41 H new ATOM 0 HD2 PRO B 77 1.099 15.846 -0.973 1.00 1.46 H new ATOM 0 HD3 PRO B 77 1.597 17.381 -1.656 1.00 1.46 H new ATOM 1667 N SER B 78 4.008 13.049 -4.021 1.00 1.25 N ATOM 1668 CA SER B 78 4.191 11.611 -4.006 1.00 1.17 C ATOM 1669 C SER B 78 5.560 11.256 -3.429 1.00 1.05 C ATOM 1670 O SER B 78 6.591 11.450 -4.079 1.00 1.14 O ATOM 1671 CB SER B 78 4.047 11.063 -5.426 1.00 1.28 C ATOM 1672 OG SER B 78 3.006 11.728 -6.123 1.00 1.47 O ATOM 0 H SER B 78 4.325 13.503 -4.878 1.00 1.25 H new ATOM 0 HA SER B 78 3.428 11.158 -3.372 1.00 1.17 H new ATOM 0 HB2 SER B 78 4.987 11.186 -5.964 1.00 1.28 H new ATOM 0 HB3 SER B 78 3.839 9.994 -5.388 1.00 1.28 H new ATOM 0 HG SER B 78 2.933 11.362 -7.029 1.00 1.47 H new ATOM 1678 N TYR B 79 5.562 10.748 -2.201 1.00 1.02 N ATOM 1679 CA TYR B 79 6.798 10.373 -1.519 1.00 0.93 C ATOM 1680 C TYR B 79 7.488 9.198 -2.208 1.00 0.87 C ATOM 1681 O TYR B 79 6.833 8.346 -2.818 1.00 0.85 O ATOM 1682 CB TYR B 79 6.516 10.007 -0.059 1.00 0.93 C ATOM 1683 CG TYR B 79 6.018 11.154 0.787 1.00 1.00 C ATOM 1684 CD1 TYR B 79 6.874 12.172 1.188 1.00 1.15 C ATOM 1685 CD2 TYR B 79 4.689 11.215 1.191 1.00 1.06 C ATOM 1686 CE1 TYR B 79 6.421 13.216 1.970 1.00 1.26 C ATOM 1687 CE2 TYR B 79 4.229 12.257 1.975 1.00 1.15 C ATOM 1688 CZ TYR B 79 5.097 13.253 2.360 1.00 1.22 C ATOM 1689 OH TYR B 79 4.641 14.289 3.144 1.00 1.35 O ATOM 0 H TYR B 79 4.717 10.585 -1.654 1.00 1.02 H new ATOM 0 HA TYR B 79 7.462 11.236 -1.559 1.00 0.93 H new ATOM 0 HB2 TYR B 79 5.777 9.206 -0.034 1.00 0.93 H new ATOM 0 HB3 TYR B 79 7.429 9.613 0.387 1.00 0.93 H new ATOM 0 HD1 TYR B 79 7.910 12.146 0.883 1.00 1.15 H new ATOM 0 HD2 TYR B 79 4.005 10.436 0.888 1.00 1.06 H new ATOM 0 HE1 TYR B 79 7.099 14.000 2.275 1.00 1.26 H new ATOM 0 HE2 TYR B 79 3.194 12.289 2.283 1.00 1.15 H new ATOM 0 HH TYR B 79 3.686 14.165 3.328 1.00 1.35 H new ATOM 1699 N LYS B 80 8.810 9.163 -2.102 1.00 0.87 N ATOM 1700 CA LYS B 80 9.611 8.097 -2.690 1.00 0.83 C ATOM 1701 C LYS B 80 10.354 7.348 -1.593 1.00 0.77 C ATOM 1702 O LYS B 80 11.203 7.924 -0.913 1.00 0.81 O ATOM 1703 CB LYS B 80 10.620 8.667 -3.695 1.00 0.87 C ATOM 1704 CG LYS B 80 9.990 9.515 -4.788 1.00 0.99 C ATOM 1705 CD LYS B 80 9.163 8.670 -5.744 1.00 1.08 C ATOM 1706 CE LYS B 80 8.677 9.487 -6.929 1.00 1.41 C ATOM 1707 NZ LYS B 80 7.698 10.525 -6.521 1.00 2.14 N ATOM 0 H LYS B 80 9.355 9.869 -1.608 1.00 0.87 H new ATOM 0 HA LYS B 80 8.944 7.413 -3.215 1.00 0.83 H new ATOM 0 HB2 LYS B 80 11.352 9.270 -3.158 1.00 0.87 H new ATOM 0 HB3 LYS B 80 11.163 7.842 -4.156 1.00 0.87 H new ATOM 0 HG2 LYS B 80 9.358 10.280 -4.337 1.00 0.99 H new ATOM 0 HG3 LYS B 80 10.772 10.034 -5.343 1.00 0.99 H new ATOM 0 HD2 LYS B 80 9.760 7.831 -6.100 1.00 1.08 H new ATOM 0 HD3 LYS B 80 8.308 8.251 -5.214 1.00 1.08 H new ATOM 0 HE2 LYS B 80 9.528 9.962 -7.416 1.00 1.41 H new ATOM 0 HE3 LYS B 80 8.219 8.824 -7.663 1.00 1.41 H new ATOM 0 HZ1 LYS B 80 6.795 10.363 -7.012 1.00 2.14 H new ATOM 0 HZ2 LYS B 80 7.547 10.475 -5.493 1.00 2.14 H new ATOM 0 HZ3 LYS B 80 8.064 11.465 -6.772 1.00 2.14 H new ATOM 1721 N LEU B 81 10.028 6.077 -1.411 1.00 0.70 N ATOM 1722 CA LEU B 81 10.677 5.276 -0.383 1.00 0.67 C ATOM 1723 C LEU B 81 11.943 4.628 -0.929 1.00 0.63 C ATOM 1724 O LEU B 81 11.876 3.781 -1.822 1.00 0.60 O ATOM 1725 CB LEU B 81 9.716 4.202 0.139 1.00 0.66 C ATOM 1726 CG LEU B 81 9.951 3.752 1.588 1.00 0.75 C ATOM 1727 CD1 LEU B 81 8.725 3.032 2.120 1.00 0.87 C ATOM 1728 CD2 LEU B 81 11.171 2.849 1.683 1.00 1.13 C ATOM 0 H LEU B 81 9.324 5.581 -1.957 1.00 0.70 H new ATOM 0 HA LEU B 81 10.953 5.932 0.442 1.00 0.67 H new ATOM 0 HB2 LEU B 81 8.697 4.579 0.055 1.00 0.66 H new ATOM 0 HB3 LEU B 81 9.787 3.329 -0.510 1.00 0.66 H new ATOM 0 HG LEU B 81 10.132 4.639 2.195 1.00 0.75 H new ATOM 0 HD11 LEU B 81 8.905 2.718 3.148 1.00 0.87 H new ATOM 0 HD12 LEU B 81 7.867 3.704 2.090 1.00 0.87 H new ATOM 0 HD13 LEU B 81 8.521 2.156 1.504 1.00 0.87 H new ATOM 0 HD21 LEU B 81 11.317 2.543 2.719 1.00 1.13 H new ATOM 0 HD22 LEU B 81 11.020 1.966 1.062 1.00 1.13 H new ATOM 0 HD23 LEU B 81 12.052 3.390 1.336 1.00 1.13 H new ATOM 1740 N PRO B 82 13.114 5.024 -0.405 1.00 0.68 N ATOM 1741 CA PRO B 82 14.397 4.475 -0.832 1.00 0.70 C ATOM 1742 C PRO B 82 14.741 3.174 -0.105 1.00 0.69 C ATOM 1743 O PRO B 82 15.077 3.174 1.079 1.00 0.73 O ATOM 1744 CB PRO B 82 15.372 5.583 -0.453 1.00 0.77 C ATOM 1745 CG PRO B 82 14.774 6.223 0.756 1.00 0.78 C ATOM 1746 CD PRO B 82 13.278 6.050 0.642 1.00 0.77 C ATOM 0 HA PRO B 82 14.412 4.212 -1.890 1.00 0.70 H new ATOM 0 HB2 PRO B 82 16.362 5.182 -0.239 1.00 0.77 H new ATOM 0 HB3 PRO B 82 15.488 6.302 -1.264 1.00 0.77 H new ATOM 0 HG2 PRO B 82 15.149 5.757 1.667 1.00 0.78 H new ATOM 0 HG3 PRO B 82 15.039 7.279 0.806 1.00 0.78 H new ATOM 0 HD2 PRO B 82 12.841 5.729 1.587 1.00 0.77 H new ATOM 0 HD3 PRO B 82 12.789 6.984 0.365 1.00 0.77 H new ATOM 1754 N TYR B 83 14.656 2.064 -0.821 1.00 0.69 N ATOM 1755 CA TYR B 83 14.952 0.758 -0.249 1.00 0.70 C ATOM 1756 C TYR B 83 16.337 0.282 -0.678 1.00 0.74 C ATOM 1757 O TYR B 83 16.726 0.441 -1.835 1.00 0.78 O ATOM 1758 CB TYR B 83 13.882 -0.257 -0.670 1.00 0.75 C ATOM 1759 CG TYR B 83 14.218 -1.699 -0.339 1.00 0.80 C ATOM 1760 CD1 TYR B 83 14.291 -2.132 0.980 1.00 0.82 C ATOM 1761 CD2 TYR B 83 14.456 -2.624 -1.348 1.00 0.87 C ATOM 1762 CE1 TYR B 83 14.591 -3.447 1.284 1.00 0.89 C ATOM 1763 CE2 TYR B 83 14.757 -3.939 -1.053 1.00 0.93 C ATOM 1764 CZ TYR B 83 14.824 -4.346 0.264 1.00 0.94 C ATOM 1765 OH TYR B 83 15.125 -5.656 0.559 1.00 1.02 O ATOM 0 H TYR B 83 14.383 2.041 -1.804 1.00 0.69 H new ATOM 0 HA TYR B 83 14.944 0.846 0.837 1.00 0.70 H new ATOM 0 HB2 TYR B 83 12.941 0.004 -0.186 1.00 0.75 H new ATOM 0 HB3 TYR B 83 13.722 -0.172 -1.745 1.00 0.75 H new ATOM 0 HD1 TYR B 83 14.110 -1.430 1.780 1.00 0.82 H new ATOM 0 HD2 TYR B 83 14.405 -2.309 -2.380 1.00 0.87 H new ATOM 0 HE1 TYR B 83 14.643 -3.768 2.314 1.00 0.89 H new ATOM 0 HE2 TYR B 83 14.939 -4.646 -1.849 1.00 0.93 H new ATOM 0 HH TYR B 83 15.259 -6.156 -0.273 1.00 1.02 H new ATOM 1775 N ASN B 84 17.071 -0.294 0.265 1.00 0.76 N ATOM 1776 CA ASN B 84 18.407 -0.804 -0.003 1.00 0.84 C ATOM 1777 C ASN B 84 18.383 -2.329 -0.038 1.00 0.93 C ATOM 1778 O ASN B 84 17.678 -2.962 0.749 1.00 0.95 O ATOM 1779 CB ASN B 84 19.389 -0.306 1.062 1.00 0.86 C ATOM 1780 CG ASN B 84 20.720 -1.032 1.029 1.00 1.63 C ATOM 1781 OD1 ASN B 84 21.114 -1.668 2.004 1.00 2.01 O ATOM 1782 ND2 ASN B 84 21.424 -0.947 -0.088 1.00 2.53 N ATOM 0 H ASN B 84 16.760 -0.420 1.228 1.00 0.76 H new ATOM 0 HA ASN B 84 18.739 -0.437 -0.974 1.00 0.84 H new ATOM 0 HB2 ASN B 84 19.560 0.761 0.919 1.00 0.86 H new ATOM 0 HB3 ASN B 84 18.940 -0.428 2.048 1.00 0.86 H new ATOM 0 HD21 ASN B 84 22.326 -1.419 -0.160 1.00 2.53 H new ATOM 0 HD22 ASN B 84 21.065 -0.410 -0.877 1.00 2.53 H new ATOM 1789 N THR B 85 19.156 -2.908 -0.947 1.00 1.07 N ATOM 1790 CA THR B 85 19.218 -4.355 -1.118 1.00 1.20 C ATOM 1791 C THR B 85 19.648 -5.080 0.160 1.00 1.16 C ATOM 1792 O THR B 85 19.176 -6.180 0.444 1.00 1.39 O ATOM 1793 CB THR B 85 20.192 -4.716 -2.251 1.00 1.34 C ATOM 1794 OG1 THR B 85 21.311 -3.815 -2.227 1.00 1.53 O ATOM 1795 CG2 THR B 85 19.500 -4.643 -3.604 1.00 1.79 C ATOM 0 H THR B 85 19.758 -2.389 -1.587 1.00 1.07 H new ATOM 0 HA THR B 85 18.209 -4.683 -1.367 1.00 1.20 H new ATOM 0 HB THR B 85 20.540 -5.738 -2.099 1.00 1.34 H new ATOM 0 HG1 THR B 85 21.277 -3.230 -3.012 1.00 1.53 H new ATOM 0 HG21 THR B 85 20.209 -4.903 -4.390 1.00 1.79 H new ATOM 0 HG22 THR B 85 18.665 -5.343 -3.624 1.00 1.79 H new ATOM 0 HG23 THR B 85 19.130 -3.631 -3.769 1.00 1.79 H new ATOM 1803 N SER B 86 20.523 -4.455 0.939 1.00 1.23 N ATOM 1804 CA SER B 86 21.027 -5.067 2.161 1.00 1.24 C ATOM 1805 C SER B 86 20.302 -4.544 3.405 1.00 1.22 C ATOM 1806 O SER B 86 20.883 -4.471 4.492 1.00 1.43 O ATOM 1807 CB SER B 86 22.532 -4.810 2.275 1.00 1.53 C ATOM 1808 OG SER B 86 23.178 -5.035 1.031 1.00 1.95 O ATOM 0 H SER B 86 20.897 -3.526 0.746 1.00 1.23 H new ATOM 0 HA SER B 86 20.838 -6.139 2.106 1.00 1.24 H new ATOM 0 HB2 SER B 86 22.707 -3.784 2.600 1.00 1.53 H new ATOM 0 HB3 SER B 86 22.960 -5.463 3.036 1.00 1.53 H new ATOM 0 HG SER B 86 24.138 -4.864 1.125 1.00 1.95 H new ATOM 1814 N ASP B 87 19.032 -4.196 3.257 1.00 1.20 N ATOM 1815 CA ASP B 87 18.256 -3.688 4.384 1.00 1.43 C ATOM 1816 C ASP B 87 17.105 -4.634 4.721 1.00 1.19 C ATOM 1817 O ASP B 87 17.107 -5.799 4.308 1.00 1.33 O ATOM 1818 CB ASP B 87 17.732 -2.279 4.091 1.00 1.99 C ATOM 1819 CG ASP B 87 17.591 -1.446 5.351 1.00 2.54 C ATOM 1820 OD1 ASP B 87 18.608 -0.894 5.826 1.00 2.92 O ATOM 1821 OD2 ASP B 87 16.466 -1.340 5.874 1.00 2.97 O ATOM 0 H ASP B 87 18.519 -4.254 2.377 1.00 1.20 H new ATOM 0 HA ASP B 87 18.914 -3.633 5.251 1.00 1.43 H new ATOM 0 HB2 ASP B 87 18.410 -1.778 3.400 1.00 1.99 H new ATOM 0 HB3 ASP B 87 16.765 -2.349 3.594 1.00 1.99 H new ATOM 1826 N ASP B 88 16.127 -4.138 5.468 1.00 1.18 N ATOM 1827 CA ASP B 88 14.980 -4.942 5.872 1.00 1.09 C ATOM 1828 C ASP B 88 13.703 -4.114 5.786 1.00 0.98 C ATOM 1829 O ASP B 88 13.704 -2.951 6.169 1.00 0.95 O ATOM 1830 CB ASP B 88 15.184 -5.458 7.303 1.00 1.31 C ATOM 1831 CG ASP B 88 13.969 -6.177 7.858 1.00 1.86 C ATOM 1832 OD1 ASP B 88 13.838 -7.400 7.626 1.00 2.55 O ATOM 1833 OD2 ASP B 88 13.149 -5.527 8.541 1.00 2.12 O ATOM 0 H ASP B 88 16.105 -3.177 5.808 1.00 1.18 H new ATOM 0 HA ASP B 88 14.888 -5.794 5.199 1.00 1.09 H new ATOM 0 HB2 ASP B 88 16.038 -6.135 7.320 1.00 1.31 H new ATOM 0 HB3 ASP B 88 15.430 -4.619 7.953 1.00 1.31 H new ATOM 1838 N PRO B 89 12.603 -4.704 5.280 1.00 0.95 N ATOM 1839 CA PRO B 89 11.306 -4.031 5.124 1.00 0.90 C ATOM 1840 C PRO B 89 10.918 -3.144 6.305 1.00 0.89 C ATOM 1841 O PRO B 89 10.551 -1.986 6.117 1.00 0.85 O ATOM 1842 CB PRO B 89 10.301 -5.185 4.979 1.00 0.96 C ATOM 1843 CG PRO B 89 11.096 -6.450 5.098 1.00 0.79 C ATOM 1844 CD PRO B 89 12.523 -6.087 4.808 1.00 1.00 C ATOM 0 HA PRO B 89 11.333 -3.350 4.273 1.00 0.90 H new ATOM 0 HB2 PRO B 89 9.534 -5.133 5.752 1.00 0.96 H new ATOM 0 HB3 PRO B 89 9.789 -5.136 4.018 1.00 0.96 H new ATOM 0 HG2 PRO B 89 11.000 -6.876 6.097 1.00 0.79 H new ATOM 0 HG3 PRO B 89 10.737 -7.201 4.395 1.00 0.79 H new ATOM 0 HD2 PRO B 89 13.222 -6.736 5.336 1.00 1.00 H new ATOM 0 HD3 PRO B 89 12.754 -6.167 3.746 1.00 1.00 H new ATOM 1852 N TRP B 90 11.010 -3.674 7.520 1.00 0.97 N ATOM 1853 CA TRP B 90 10.653 -2.910 8.711 1.00 1.01 C ATOM 1854 C TRP B 90 11.652 -1.789 8.973 1.00 0.99 C ATOM 1855 O TRP B 90 11.265 -0.668 9.313 1.00 0.96 O ATOM 1856 CB TRP B 90 10.566 -3.821 9.936 1.00 1.13 C ATOM 1857 CG TRP B 90 9.203 -4.407 10.141 1.00 1.32 C ATOM 1858 CD1 TRP B 90 8.144 -3.813 10.764 1.00 1.47 C ATOM 1859 CD2 TRP B 90 8.755 -5.705 9.733 1.00 2.16 C ATOM 1860 NE1 TRP B 90 7.061 -4.658 10.763 1.00 2.14 N ATOM 1861 CE2 TRP B 90 7.411 -5.827 10.139 1.00 2.56 C ATOM 1862 CE3 TRP B 90 9.353 -6.774 9.058 1.00 2.87 C ATOM 1863 CZ2 TRP B 90 6.658 -6.972 9.891 1.00 3.50 C ATOM 1864 CZ3 TRP B 90 8.607 -7.914 8.821 1.00 3.79 C ATOM 1865 CH2 TRP B 90 7.272 -8.005 9.235 1.00 4.06 C ATOM 0 H TRP B 90 11.327 -4.625 7.706 1.00 0.97 H new ATOM 0 HA TRP B 90 9.675 -2.465 8.529 1.00 1.01 H new ATOM 0 HB2 TRP B 90 11.290 -4.629 9.832 1.00 1.13 H new ATOM 0 HB3 TRP B 90 10.848 -3.254 10.823 1.00 1.13 H new ATOM 0 HD1 TRP B 90 8.156 -2.823 11.195 1.00 1.47 H new ATOM 0 HE1 TRP B 90 6.146 -4.449 11.162 1.00 2.14 H new ATOM 0 HE3 TRP B 90 10.379 -6.710 8.728 1.00 2.87 H new ATOM 0 HZ2 TRP B 90 5.627 -7.043 10.205 1.00 3.50 H new ATOM 0 HZ3 TRP B 90 9.062 -8.749 8.308 1.00 3.79 H new ATOM 0 HH2 TRP B 90 6.716 -8.908 9.033 1.00 4.06 H new ATOM 1876 N LEU B 91 12.931 -2.089 8.803 1.00 1.03 N ATOM 1877 CA LEU B 91 13.985 -1.111 9.030 1.00 1.05 C ATOM 1878 C LEU B 91 13.898 0.027 8.017 1.00 0.97 C ATOM 1879 O LEU B 91 14.020 1.198 8.377 1.00 0.99 O ATOM 1880 CB LEU B 91 15.362 -1.778 8.951 1.00 1.14 C ATOM 1881 CG LEU B 91 15.597 -2.924 9.941 1.00 1.32 C ATOM 1882 CD1 LEU B 91 17.024 -3.437 9.823 1.00 1.39 C ATOM 1883 CD2 LEU B 91 15.306 -2.482 11.367 1.00 1.43 C ATOM 0 H LEU B 91 13.265 -3.006 8.507 1.00 1.03 H new ATOM 0 HA LEU B 91 13.850 -0.697 10.029 1.00 1.05 H new ATOM 0 HB2 LEU B 91 15.504 -2.159 7.940 1.00 1.14 H new ATOM 0 HB3 LEU B 91 16.125 -1.017 9.115 1.00 1.14 H new ATOM 0 HG LEU B 91 14.911 -3.734 9.694 1.00 1.32 H new ATOM 0 HD11 LEU B 91 17.178 -4.251 10.532 1.00 1.39 H new ATOM 0 HD12 LEU B 91 17.197 -3.800 8.810 1.00 1.39 H new ATOM 0 HD13 LEU B 91 17.721 -2.628 10.043 1.00 1.39 H new ATOM 0 HD21 LEU B 91 15.481 -3.314 12.049 1.00 1.43 H new ATOM 0 HD22 LEU B 91 15.961 -1.652 11.632 1.00 1.43 H new ATOM 0 HD23 LEU B 91 14.267 -2.162 11.444 1.00 1.43 H new ATOM 1895 N THR B 92 13.671 -0.318 6.756 1.00 0.92 N ATOM 1896 CA THR B 92 13.561 0.680 5.702 1.00 0.88 C ATOM 1897 C THR B 92 12.306 1.528 5.888 1.00 0.81 C ATOM 1898 O THR B 92 12.346 2.755 5.763 1.00 0.82 O ATOM 1899 CB THR B 92 13.519 0.030 4.308 1.00 0.92 C ATOM 1900 OG1 THR B 92 14.419 -1.084 4.246 1.00 0.97 O ATOM 1901 CG2 THR B 92 13.895 1.039 3.236 1.00 1.06 C ATOM 0 H THR B 92 13.560 -1.281 6.439 1.00 0.92 H new ATOM 0 HA THR B 92 14.447 1.312 5.771 1.00 0.88 H new ATOM 0 HB THR B 92 12.502 -0.319 4.131 1.00 0.92 H new ATOM 0 HG1 THR B 92 15.249 -0.861 4.717 1.00 0.97 H new ATOM 0 HG21 THR B 92 13.860 0.560 2.257 1.00 1.06 H new ATOM 0 HG22 THR B 92 13.193 1.872 3.258 1.00 1.06 H new ATOM 0 HG23 THR B 92 14.903 1.409 3.422 1.00 1.06 H new ATOM 1909 N ALA B 93 11.196 0.865 6.199 1.00 0.79 N ATOM 1910 CA ALA B 93 9.926 1.549 6.407 1.00 0.79 C ATOM 1911 C ALA B 93 10.022 2.517 7.576 1.00 0.84 C ATOM 1912 O ALA B 93 9.594 3.667 7.480 1.00 0.84 O ATOM 1913 CB ALA B 93 8.816 0.537 6.649 1.00 0.82 C ATOM 0 H ALA B 93 11.152 -0.148 6.312 1.00 0.79 H new ATOM 0 HA ALA B 93 9.691 2.119 5.508 1.00 0.79 H new ATOM 0 HB1 ALA B 93 7.873 1.061 6.803 1.00 0.82 H new ATOM 0 HB2 ALA B 93 8.729 -0.121 5.784 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.050 -0.055 7.533 1.00 0.82 H new ATOM 1919 N TYR B 94 10.604 2.051 8.675 1.00 0.93 N ATOM 1920 CA TYR B 94 10.761 2.878 9.860 1.00 1.04 C ATOM 1921 C TYR B 94 11.725 4.030 9.589 1.00 1.05 C ATOM 1922 O TYR B 94 11.548 5.129 10.108 1.00 1.10 O ATOM 1923 CB TYR B 94 11.257 2.043 11.044 1.00 1.17 C ATOM 1924 CG TYR B 94 11.180 2.770 12.367 1.00 1.28 C ATOM 1925 CD1 TYR B 94 9.990 2.829 13.084 1.00 1.35 C ATOM 1926 CD2 TYR B 94 12.297 3.400 12.900 1.00 1.44 C ATOM 1927 CE1 TYR B 94 9.916 3.496 14.292 1.00 1.50 C ATOM 1928 CE2 TYR B 94 12.231 4.068 14.106 1.00 1.57 C ATOM 1929 CZ TYR B 94 11.039 4.113 14.798 1.00 1.57 C ATOM 1930 OH TYR B 94 10.973 4.778 16.001 1.00 1.76 O ATOM 0 H TYR B 94 10.974 1.105 8.768 1.00 0.93 H new ATOM 0 HA TYR B 94 9.785 3.292 10.113 1.00 1.04 H new ATOM 0 HB2 TYR B 94 10.667 1.128 11.106 1.00 1.17 H new ATOM 0 HB3 TYR B 94 12.289 1.745 10.861 1.00 1.17 H new ATOM 0 HD1 TYR B 94 9.108 2.345 12.690 1.00 1.35 H new ATOM 0 HD2 TYR B 94 13.233 3.367 12.362 1.00 1.44 H new ATOM 0 HE1 TYR B 94 8.984 3.533 14.836 1.00 1.50 H new ATOM 0 HE2 TYR B 94 13.109 4.553 14.506 1.00 1.57 H new ATOM 0 HH TYR B 94 11.852 5.156 16.215 1.00 1.76 H new ATOM 1940 N ASN B 95 12.736 3.770 8.765 1.00 1.03 N ATOM 1941 CA ASN B 95 13.723 4.789 8.419 1.00 1.08 C ATOM 1942 C ASN B 95 13.044 5.964 7.721 1.00 1.04 C ATOM 1943 O ASN B 95 13.308 7.123 8.033 1.00 1.12 O ATOM 1944 CB ASN B 95 14.810 4.206 7.513 1.00 1.08 C ATOM 1945 CG ASN B 95 16.118 4.974 7.593 1.00 1.09 C ATOM 1946 OD1 ASN B 95 16.151 6.140 7.983 1.00 1.22 O ATOM 1947 ND2 ASN B 95 17.205 4.324 7.213 1.00 1.47 N ATOM 0 H ASN B 95 12.894 2.864 8.325 1.00 1.03 H new ATOM 0 HA ASN B 95 14.189 5.139 9.340 1.00 1.08 H new ATOM 0 HB2 ASN B 95 14.987 3.166 7.789 1.00 1.08 H new ATOM 0 HB3 ASN B 95 14.456 4.207 6.482 1.00 1.08 H new ATOM 0 HD21 ASN B 95 18.112 4.790 7.237 1.00 1.47 H new ATOM 0 HD22 ASN B 95 17.136 3.357 6.896 1.00 1.47 H new ATOM 1954 N PHE B 96 12.156 5.658 6.785 1.00 0.93 N ATOM 1955 CA PHE B 96 11.438 6.698 6.066 1.00 0.91 C ATOM 1956 C PHE B 96 10.384 7.322 6.978 1.00 0.91 C ATOM 1957 O PHE B 96 10.070 8.510 6.866 1.00 0.92 O ATOM 1958 CB PHE B 96 10.782 6.133 4.803 1.00 0.88 C ATOM 1959 CG PHE B 96 10.406 7.194 3.809 1.00 0.97 C ATOM 1960 CD1 PHE B 96 11.384 7.892 3.121 1.00 1.16 C ATOM 1961 CD2 PHE B 96 9.076 7.498 3.568 1.00 0.99 C ATOM 1962 CE1 PHE B 96 11.045 8.871 2.208 1.00 1.32 C ATOM 1963 CE2 PHE B 96 8.731 8.478 2.658 1.00 1.19 C ATOM 1964 CZ PHE B 96 9.716 9.166 1.977 1.00 1.33 C ATOM 0 H PHE B 96 11.918 4.706 6.508 1.00 0.93 H new ATOM 0 HA PHE B 96 12.149 7.467 5.762 1.00 0.91 H new ATOM 0 HB2 PHE B 96 11.465 5.427 4.331 1.00 0.88 H new ATOM 0 HB3 PHE B 96 9.889 5.574 5.084 1.00 0.88 H new ATOM 0 HD1 PHE B 96 12.425 7.668 3.301 1.00 1.16 H new ATOM 0 HD2 PHE B 96 8.301 6.963 4.097 1.00 0.99 H new ATOM 0 HE1 PHE B 96 11.818 9.405 1.676 1.00 1.32 H new ATOM 0 HE2 PHE B 96 7.691 8.706 2.479 1.00 1.19 H new ATOM 0 HZ PHE B 96 9.447 9.933 1.266 1.00 1.33 H new ATOM 1974 N LEU B 97 9.858 6.511 7.888 1.00 0.93 N ATOM 1975 CA LEU B 97 8.849 6.956 8.840 1.00 1.00 C ATOM 1976 C LEU B 97 9.411 8.045 9.751 1.00 1.09 C ATOM 1977 O LEU B 97 8.773 9.072 9.971 1.00 1.10 O ATOM 1978 CB LEU B 97 8.368 5.773 9.682 1.00 1.06 C ATOM 1979 CG LEU B 97 6.946 5.892 10.233 1.00 1.28 C ATOM 1980 CD1 LEU B 97 5.953 5.252 9.276 1.00 1.30 C ATOM 1981 CD2 LEU B 97 6.855 5.251 11.607 1.00 1.48 C ATOM 0 H LEU B 97 10.118 5.530 7.986 1.00 0.93 H new ATOM 0 HA LEU B 97 8.007 7.368 8.283 1.00 1.00 H new ATOM 0 HB2 LEU B 97 8.430 4.869 9.076 1.00 1.06 H new ATOM 0 HB3 LEU B 97 9.054 5.643 10.519 1.00 1.06 H new ATOM 0 HG LEU B 97 6.697 6.949 10.331 1.00 1.28 H new ATOM 0 HD11 LEU B 97 4.945 5.344 9.682 1.00 1.30 H new ATOM 0 HD12 LEU B 97 6.003 5.755 8.310 1.00 1.30 H new ATOM 0 HD13 LEU B 97 6.198 4.197 9.149 1.00 1.30 H new ATOM 0 HD21 LEU B 97 5.837 5.344 11.985 1.00 1.48 H new ATOM 0 HD22 LEU B 97 7.120 4.196 11.535 1.00 1.48 H new ATOM 0 HD23 LEU B 97 7.542 5.752 12.288 1.00 1.48 H new ATOM 1993 N GLN B 98 10.612 7.814 10.269 1.00 1.19 N ATOM 1994 CA GLN B 98 11.264 8.774 11.154 1.00 1.31 C ATOM 1995 C GLN B 98 11.824 9.954 10.365 1.00 1.30 C ATOM 1996 O GLN B 98 12.004 11.042 10.901 1.00 1.39 O ATOM 1997 CB GLN B 98 12.391 8.096 11.947 1.00 1.43 C ATOM 1998 CG GLN B 98 13.447 7.444 11.066 1.00 2.02 C ATOM 1999 CD GLN B 98 14.608 6.856 11.850 1.00 2.69 C ATOM 2000 OE1 GLN B 98 14.464 6.457 13.005 1.00 2.73 O ATOM 2001 NE2 GLN B 98 15.773 6.788 11.218 1.00 3.60 N ATOM 0 H GLN B 98 11.155 6.969 10.091 1.00 1.19 H new ATOM 0 HA GLN B 98 10.514 9.148 11.851 1.00 1.31 H new ATOM 0 HB2 GLN B 98 12.870 8.837 12.587 1.00 1.43 H new ATOM 0 HB3 GLN B 98 11.959 7.340 12.603 1.00 1.43 H new ATOM 0 HG2 GLN B 98 12.980 6.655 10.476 1.00 2.02 H new ATOM 0 HG3 GLN B 98 13.830 8.184 10.363 1.00 2.02 H new ATOM 0 HE21 GLN B 98 15.854 7.129 10.260 1.00 3.60 H new ATOM 0 HE22 GLN B 98 16.587 6.395 11.690 1.00 3.60 H new ATOM 2010 N LYS B 99 12.091 9.727 9.083 1.00 1.21 N ATOM 2011 CA LYS B 99 12.638 10.767 8.218 1.00 1.23 C ATOM 2012 C LYS B 99 11.597 11.830 7.896 1.00 1.18 C ATOM 2013 O LYS B 99 11.830 13.018 8.099 1.00 1.22 O ATOM 2014 CB LYS B 99 13.172 10.164 6.915 1.00 1.19 C ATOM 2015 CG LYS B 99 13.639 11.206 5.907 1.00 1.18 C ATOM 2016 CD LYS B 99 13.737 10.627 4.505 1.00 1.26 C ATOM 2017 CE LYS B 99 14.021 11.706 3.469 1.00 1.39 C ATOM 2018 NZ LYS B 99 12.915 12.701 3.383 1.00 1.59 N ATOM 0 H LYS B 99 11.937 8.831 8.620 1.00 1.21 H new ATOM 0 HA LYS B 99 13.458 11.238 8.760 1.00 1.23 H new ATOM 0 HB2 LYS B 99 14.002 9.497 7.147 1.00 1.19 H new ATOM 0 HB3 LYS B 99 12.391 9.555 6.460 1.00 1.19 H new ATOM 0 HG2 LYS B 99 12.946 12.047 5.906 1.00 1.18 H new ATOM 0 HG3 LYS B 99 14.612 11.595 6.209 1.00 1.18 H new ATOM 0 HD2 LYS B 99 14.527 9.877 4.475 1.00 1.26 H new ATOM 0 HD3 LYS B 99 12.806 10.119 4.255 1.00 1.26 H new ATOM 0 HE2 LYS B 99 14.950 12.217 3.723 1.00 1.39 H new ATOM 0 HE3 LYS B 99 14.169 11.242 2.494 1.00 1.39 H new ATOM 0 HZ1 LYS B 99 12.875 13.093 2.420 1.00 1.59 H new ATOM 0 HZ2 LYS B 99 12.012 12.236 3.606 1.00 1.59 H new ATOM 0 HZ3 LYS B 99 13.086 13.470 4.063 1.00 1.59 H new ATOM 2032 N ASN B 100 10.446 11.403 7.405 1.00 1.12 N ATOM 2033 CA ASN B 100 9.398 12.344 7.025 1.00 1.11 C ATOM 2034 C ASN B 100 8.336 12.484 8.105 1.00 1.13 C ATOM 2035 O ASN B 100 7.269 13.044 7.852 1.00 1.12 O ATOM 2036 CB ASN B 100 8.754 11.922 5.705 1.00 1.07 C ATOM 2037 CG ASN B 100 9.536 12.410 4.502 1.00 1.32 C ATOM 2038 OD1 ASN B 100 10.438 11.725 4.012 1.00 1.75 O ATOM 2039 ND2 ASN B 100 9.213 13.602 4.028 1.00 1.49 N ATOM 0 H ASN B 100 10.212 10.421 7.260 1.00 1.12 H new ATOM 0 HA ASN B 100 9.870 13.319 6.900 1.00 1.11 H new ATOM 0 HB2 ASN B 100 8.680 10.835 5.671 1.00 1.07 H new ATOM 0 HB3 ASN B 100 7.738 12.313 5.658 1.00 1.07 H new ATOM 0 HD21 ASN B 100 9.716 13.986 3.229 1.00 1.49 H new ATOM 0 HD22 ASN B 100 8.461 14.137 4.462 1.00 1.49 H new ATOM 2046 N ASP B 101 8.642 11.986 9.301 1.00 1.19 N ATOM 2047 CA ASP B 101 7.721 12.054 10.440 1.00 1.24 C ATOM 2048 C ASP B 101 6.339 11.526 10.057 1.00 1.23 C ATOM 2049 O ASP B 101 5.337 12.243 10.121 1.00 1.33 O ATOM 2050 CB ASP B 101 7.618 13.493 10.968 1.00 1.27 C ATOM 2051 CG ASP B 101 7.098 13.553 12.391 1.00 1.36 C ATOM 2052 OD1 ASP B 101 7.823 13.112 13.311 1.00 1.79 O ATOM 2053 OD2 ASP B 101 5.968 14.050 12.601 1.00 1.84 O ATOM 0 H ASP B 101 9.528 11.526 9.510 1.00 1.19 H new ATOM 0 HA ASP B 101 8.119 11.422 11.233 1.00 1.24 H new ATOM 0 HB2 ASP B 101 8.600 13.964 10.923 1.00 1.27 H new ATOM 0 HB3 ASP B 101 6.958 14.069 10.319 1.00 1.27 H new ATOM 2058 N LEU B 102 6.296 10.271 9.640 1.00 1.15 N ATOM 2059 CA LEU B 102 5.051 9.643 9.230 1.00 1.17 C ATOM 2060 C LEU B 102 4.407 8.911 10.401 1.00 1.23 C ATOM 2061 O LEU B 102 5.051 8.656 11.418 1.00 1.28 O ATOM 2062 CB LEU B 102 5.303 8.664 8.081 1.00 1.11 C ATOM 2063 CG LEU B 102 6.055 9.235 6.878 1.00 1.26 C ATOM 2064 CD1 LEU B 102 6.435 8.121 5.917 1.00 1.96 C ATOM 2065 CD2 LEU B 102 5.210 10.279 6.167 1.00 1.50 C ATOM 0 H LEU B 102 7.114 9.665 9.576 1.00 1.15 H new ATOM 0 HA LEU B 102 4.371 10.424 8.890 1.00 1.17 H new ATOM 0 HB2 LEU B 102 5.865 7.814 8.468 1.00 1.11 H new ATOM 0 HB3 LEU B 102 4.342 8.280 7.737 1.00 1.11 H new ATOM 0 HG LEU B 102 6.966 9.714 7.236 1.00 1.26 H new ATOM 0 HD11 LEU B 102 6.970 8.542 5.065 1.00 1.96 H new ATOM 0 HD12 LEU B 102 7.075 7.402 6.428 1.00 1.96 H new ATOM 0 HD13 LEU B 102 5.533 7.619 5.567 1.00 1.96 H new ATOM 0 HD21 LEU B 102 5.762 10.674 5.314 1.00 1.50 H new ATOM 0 HD22 LEU B 102 4.283 9.822 5.820 1.00 1.50 H new ATOM 0 HD23 LEU B 102 4.978 11.091 6.857 1.00 1.50 H new ATOM 2077 N ASN B 103 3.132 8.590 10.256 1.00 1.25 N ATOM 2078 CA ASN B 103 2.398 7.883 11.296 1.00 1.31 C ATOM 2079 C ASN B 103 2.674 6.382 11.201 1.00 1.23 C ATOM 2080 O ASN B 103 2.733 5.835 10.098 1.00 1.14 O ATOM 2081 CB ASN B 103 0.897 8.162 11.165 1.00 1.37 C ATOM 2082 CG ASN B 103 0.091 7.559 12.300 1.00 1.43 C ATOM 2083 OD1 ASN B 103 -0.340 6.411 12.227 1.00 1.34 O ATOM 2084 ND2 ASN B 103 -0.119 8.328 13.357 1.00 1.84 N ATOM 0 H ASN B 103 2.581 8.808 9.426 1.00 1.25 H new ATOM 0 HA ASN B 103 2.732 8.238 12.271 1.00 1.31 H new ATOM 0 HB2 ASN B 103 0.732 9.239 11.139 1.00 1.37 H new ATOM 0 HB3 ASN B 103 0.538 7.762 10.217 1.00 1.37 H new ATOM 0 HD21 ASN B 103 -0.655 7.972 14.148 1.00 1.84 H new ATOM 0 HD22 ASN B 103 0.256 9.276 13.380 1.00 1.84 H new ATOM 2091 N PRO B 104 2.866 5.707 12.352 1.00 1.29 N ATOM 2092 CA PRO B 104 3.140 4.259 12.413 1.00 1.25 C ATOM 2093 C PRO B 104 2.176 3.401 11.586 1.00 1.19 C ATOM 2094 O PRO B 104 2.499 2.269 11.233 1.00 1.15 O ATOM 2095 CB PRO B 104 2.996 3.935 13.901 1.00 1.34 C ATOM 2096 CG PRO B 104 3.336 5.205 14.596 1.00 1.55 C ATOM 2097 CD PRO B 104 2.864 6.315 13.698 1.00 1.41 C ATOM 0 HA PRO B 104 4.119 4.033 11.991 1.00 1.25 H new ATOM 0 HB2 PRO B 104 1.983 3.611 14.140 1.00 1.34 H new ATOM 0 HB3 PRO B 104 3.667 3.129 14.198 1.00 1.34 H new ATOM 0 HG2 PRO B 104 2.849 5.258 15.570 1.00 1.55 H new ATOM 0 HG3 PRO B 104 4.409 5.277 14.772 1.00 1.55 H new ATOM 0 HD2 PRO B 104 1.869 6.661 13.979 1.00 1.41 H new ATOM 0 HD3 PRO B 104 3.527 7.179 13.747 1.00 1.41 H new ATOM 2105 N MET B 105 0.996 3.930 11.280 1.00 1.21 N ATOM 2106 CA MET B 105 0.018 3.197 10.478 1.00 1.20 C ATOM 2107 C MET B 105 0.550 2.985 9.059 1.00 1.13 C ATOM 2108 O MET B 105 0.228 1.997 8.399 1.00 1.16 O ATOM 2109 CB MET B 105 -1.317 3.952 10.438 1.00 1.27 C ATOM 2110 CG MET B 105 -2.380 3.276 9.586 1.00 1.26 C ATOM 2111 SD MET B 105 -2.773 1.612 10.156 1.00 1.64 S ATOM 2112 CE MET B 105 -3.848 1.968 11.546 1.00 1.78 C ATOM 0 H MET B 105 0.693 4.859 11.573 1.00 1.21 H new ATOM 0 HA MET B 105 -0.149 2.223 10.939 1.00 1.20 H new ATOM 0 HB2 MET B 105 -1.694 4.059 11.455 1.00 1.27 H new ATOM 0 HB3 MET B 105 -1.143 4.958 10.055 1.00 1.27 H new ATOM 0 HG2 MET B 105 -3.286 3.882 9.594 1.00 1.26 H new ATOM 0 HG3 MET B 105 -2.037 3.230 8.553 1.00 1.26 H new ATOM 0 HE1 MET B 105 -4.327 1.048 11.880 1.00 1.78 H new ATOM 0 HE2 MET B 105 -3.260 2.388 12.362 1.00 1.78 H new ATOM 0 HE3 MET B 105 -4.611 2.684 11.242 1.00 1.78 H new ATOM 2122 N PHE B 106 1.388 3.911 8.607 1.00 1.06 N ATOM 2123 CA PHE B 106 1.971 3.837 7.271 1.00 1.02 C ATOM 2124 C PHE B 106 3.081 2.795 7.217 1.00 0.94 C ATOM 2125 O PHE B 106 3.403 2.283 6.146 1.00 0.87 O ATOM 2126 CB PHE B 106 2.529 5.200 6.857 1.00 1.07 C ATOM 2127 CG PHE B 106 1.491 6.142 6.318 1.00 1.15 C ATOM 2128 CD1 PHE B 106 0.714 6.905 7.175 1.00 1.30 C ATOM 2129 CD2 PHE B 106 1.298 6.271 4.952 1.00 1.28 C ATOM 2130 CE1 PHE B 106 -0.235 7.777 6.682 1.00 1.45 C ATOM 2131 CE2 PHE B 106 0.348 7.143 4.452 1.00 1.47 C ATOM 2132 CZ PHE B 106 -0.418 7.897 5.317 1.00 1.49 C ATOM 0 H PHE B 106 1.680 4.725 9.148 1.00 1.06 H new ATOM 0 HA PHE B 106 1.182 3.544 6.578 1.00 1.02 H new ATOM 0 HB2 PHE B 106 3.012 5.661 7.718 1.00 1.07 H new ATOM 0 HB3 PHE B 106 3.300 5.052 6.101 1.00 1.07 H new ATOM 0 HD1 PHE B 106 0.853 6.816 8.242 1.00 1.30 H new ATOM 0 HD2 PHE B 106 1.896 5.684 4.270 1.00 1.28 H new ATOM 0 HE1 PHE B 106 -0.834 8.365 7.362 1.00 1.45 H new ATOM 0 HE2 PHE B 106 0.206 7.234 3.385 1.00 1.47 H new ATOM 0 HZ PHE B 106 -1.159 8.580 4.928 1.00 1.49 H new ATOM 2142 N LEU B 107 3.647 2.485 8.382 1.00 0.98 N ATOM 2143 CA LEU B 107 4.736 1.512 8.492 1.00 0.93 C ATOM 2144 C LEU B 107 4.372 0.190 7.827 1.00 0.89 C ATOM 2145 O LEU B 107 5.110 -0.303 6.982 1.00 0.84 O ATOM 2146 CB LEU B 107 5.096 1.274 9.965 1.00 1.01 C ATOM 2147 CG LEU B 107 6.065 0.117 10.232 1.00 0.95 C ATOM 2148 CD1 LEU B 107 7.502 0.556 9.996 1.00 0.94 C ATOM 2149 CD2 LEU B 107 5.893 -0.404 11.651 1.00 1.08 C ATOM 0 H LEU B 107 3.367 2.897 9.272 1.00 0.98 H new ATOM 0 HA LEU B 107 5.601 1.926 7.974 1.00 0.93 H new ATOM 0 HB2 LEU B 107 5.532 2.189 10.366 1.00 1.01 H new ATOM 0 HB3 LEU B 107 4.176 1.089 10.520 1.00 1.01 H new ATOM 0 HG LEU B 107 5.835 -0.691 9.537 1.00 0.95 H new ATOM 0 HD11 LEU B 107 8.174 -0.279 10.191 1.00 0.94 H new ATOM 0 HD12 LEU B 107 7.618 0.882 8.962 1.00 0.94 H new ATOM 0 HD13 LEU B 107 7.745 1.381 10.666 1.00 0.94 H new ATOM 0 HD21 LEU B 107 6.589 -1.225 11.824 1.00 1.08 H new ATOM 0 HD22 LEU B 107 6.096 0.398 12.360 1.00 1.08 H new ATOM 0 HD23 LEU B 107 4.871 -0.759 11.787 1.00 1.08 H new ATOM 2161 N ASP B 108 3.221 -0.361 8.198 1.00 0.96 N ATOM 2162 CA ASP B 108 2.768 -1.636 7.643 1.00 0.96 C ATOM 2163 C ASP B 108 2.494 -1.531 6.148 1.00 0.90 C ATOM 2164 O ASP B 108 2.897 -2.399 5.375 1.00 0.88 O ATOM 2165 CB ASP B 108 1.507 -2.120 8.359 1.00 1.09 C ATOM 2166 CG ASP B 108 0.897 -3.341 7.689 1.00 1.08 C ATOM 2167 OD1 ASP B 108 1.521 -4.420 7.729 1.00 1.22 O ATOM 2168 OD2 ASP B 108 -0.210 -3.224 7.121 1.00 1.40 O ATOM 0 H ASP B 108 2.584 0.053 8.879 1.00 0.96 H new ATOM 0 HA ASP B 108 3.571 -2.357 7.797 1.00 0.96 H new ATOM 0 HB2 ASP B 108 1.749 -2.359 9.395 1.00 1.09 H new ATOM 0 HB3 ASP B 108 0.772 -1.315 8.381 1.00 1.09 H new ATOM 2173 N GLN B 109 1.828 -0.452 5.748 1.00 0.91 N ATOM 2174 CA GLN B 109 1.479 -0.236 4.346 1.00 0.90 C ATOM 2175 C GLN B 109 2.708 -0.281 3.440 1.00 0.86 C ATOM 2176 O GLN B 109 2.704 -0.958 2.411 1.00 0.91 O ATOM 2177 CB GLN B 109 0.754 1.102 4.168 1.00 0.96 C ATOM 2178 CG GLN B 109 0.650 1.544 2.713 1.00 0.92 C ATOM 2179 CD GLN B 109 -0.572 2.388 2.435 1.00 1.16 C ATOM 2180 OE1 GLN B 109 -1.643 1.865 2.134 1.00 1.34 O ATOM 2181 NE2 GLN B 109 -0.414 3.699 2.508 1.00 1.66 N ATOM 0 H GLN B 109 1.518 0.289 6.377 1.00 0.91 H new ATOM 0 HA GLN B 109 0.813 -1.048 4.054 1.00 0.90 H new ATOM 0 HB2 GLN B 109 -0.248 1.023 4.589 1.00 0.96 H new ATOM 0 HB3 GLN B 109 1.278 1.870 4.737 1.00 0.96 H new ATOM 0 HG2 GLN B 109 1.543 2.110 2.447 1.00 0.92 H new ATOM 0 HG3 GLN B 109 0.628 0.662 2.072 1.00 0.92 H new ATOM 0 HE21 GLN B 109 0.493 4.090 2.762 1.00 1.66 H new ATOM 0 HE22 GLN B 109 -1.199 4.319 2.311 1.00 1.66 H new ATOM 2190 N VAL B 110 3.754 0.434 3.827 1.00 0.80 N ATOM 2191 CA VAL B 110 4.969 0.478 3.026 1.00 0.79 C ATOM 2192 C VAL B 110 5.827 -0.769 3.233 1.00 0.76 C ATOM 2193 O VAL B 110 6.506 -1.218 2.310 1.00 0.79 O ATOM 2194 CB VAL B 110 5.803 1.746 3.307 1.00 0.80 C ATOM 2195 CG1 VAL B 110 5.046 2.986 2.853 1.00 0.91 C ATOM 2196 CG2 VAL B 110 6.167 1.855 4.781 1.00 0.75 C ATOM 0 H VAL B 110 3.787 0.987 4.683 1.00 0.80 H new ATOM 0 HA VAL B 110 4.648 0.508 1.985 1.00 0.79 H new ATOM 0 HB VAL B 110 6.731 1.671 2.740 1.00 0.80 H new ATOM 0 HG11 VAL B 110 5.645 3.873 3.057 1.00 0.91 H new ATOM 0 HG12 VAL B 110 4.848 2.920 1.783 1.00 0.91 H new ATOM 0 HG13 VAL B 110 4.102 3.054 3.393 1.00 0.91 H new ATOM 0 HG21 VAL B 110 6.754 2.759 4.945 1.00 0.75 H new ATOM 0 HG22 VAL B 110 5.256 1.901 5.378 1.00 0.75 H new ATOM 0 HG23 VAL B 110 6.752 0.984 5.077 1.00 0.75 H new ATOM 2206 N ALA B 111 5.784 -1.339 4.434 1.00 0.75 N ATOM 2207 CA ALA B 111 6.560 -2.538 4.733 1.00 0.75 C ATOM 2208 C ALA B 111 6.066 -3.718 3.907 1.00 0.75 C ATOM 2209 O ALA B 111 6.864 -4.470 3.354 1.00 0.75 O ATOM 2210 CB ALA B 111 6.498 -2.875 6.216 1.00 0.77 C ATOM 0 H ALA B 111 5.223 -0.992 5.212 1.00 0.75 H new ATOM 0 HA ALA B 111 7.598 -2.336 4.470 1.00 0.75 H new ATOM 0 HB1 ALA B 111 7.085 -3.773 6.410 1.00 0.77 H new ATOM 0 HB2 ALA B 111 6.903 -2.045 6.795 1.00 0.77 H new ATOM 0 HB3 ALA B 111 5.462 -3.049 6.507 1.00 0.77 H new ATOM 2216 N LYS B 112 4.746 -3.859 3.816 1.00 0.76 N ATOM 2217 CA LYS B 112 4.134 -4.943 3.057 1.00 0.77 C ATOM 2218 C LYS B 112 4.542 -4.880 1.589 1.00 0.78 C ATOM 2219 O LYS B 112 4.706 -5.912 0.939 1.00 0.83 O ATOM 2220 CB LYS B 112 2.610 -4.891 3.188 1.00 0.80 C ATOM 2221 CG LYS B 112 2.104 -5.346 4.550 1.00 0.85 C ATOM 2222 CD LYS B 112 2.004 -6.862 4.634 1.00 0.93 C ATOM 2223 CE LYS B 112 1.832 -7.337 6.068 1.00 1.04 C ATOM 2224 NZ LYS B 112 0.702 -6.660 6.755 1.00 1.14 N ATOM 0 H LYS B 112 4.077 -3.231 4.262 1.00 0.76 H new ATOM 0 HA LYS B 112 4.490 -5.888 3.468 1.00 0.77 H new ATOM 0 HB2 LYS B 112 2.272 -3.871 3.005 1.00 0.80 H new ATOM 0 HB3 LYS B 112 2.165 -5.518 2.415 1.00 0.80 H new ATOM 0 HG2 LYS B 112 2.775 -4.982 5.328 1.00 0.85 H new ATOM 0 HG3 LYS B 112 1.125 -4.905 4.741 1.00 0.85 H new ATOM 0 HD2 LYS B 112 1.161 -7.205 4.034 1.00 0.93 H new ATOM 0 HD3 LYS B 112 2.902 -7.310 4.208 1.00 0.93 H new ATOM 0 HE2 LYS B 112 1.665 -8.414 6.074 1.00 1.04 H new ATOM 0 HE3 LYS B 112 2.753 -7.154 6.622 1.00 1.04 H new ATOM 0 HZ1 LYS B 112 0.505 -7.141 7.656 1.00 1.14 H new ATOM 0 HZ2 LYS B 112 0.953 -5.668 6.940 1.00 1.14 H new ATOM 0 HZ3 LYS B 112 -0.144 -6.696 6.151 1.00 1.14 H new ATOM 2238 N PHE B 113 4.714 -3.665 1.075 1.00 0.78 N ATOM 2239 CA PHE B 113 5.125 -3.472 -0.312 1.00 0.83 C ATOM 2240 C PHE B 113 6.544 -4.003 -0.505 1.00 0.84 C ATOM 2241 O PHE B 113 6.839 -4.701 -1.475 1.00 0.95 O ATOM 2242 CB PHE B 113 5.061 -1.987 -0.689 1.00 0.87 C ATOM 2243 CG PHE B 113 4.632 -1.739 -2.109 1.00 1.11 C ATOM 2244 CD1 PHE B 113 5.421 -2.151 -3.171 1.00 1.29 C ATOM 2245 CD2 PHE B 113 3.437 -1.090 -2.379 1.00 1.76 C ATOM 2246 CE1 PHE B 113 5.027 -1.922 -4.475 1.00 1.57 C ATOM 2247 CE2 PHE B 113 3.039 -0.857 -3.682 1.00 2.06 C ATOM 2248 CZ PHE B 113 3.835 -1.274 -4.731 1.00 1.78 C ATOM 0 H PHE B 113 4.575 -2.800 1.598 1.00 0.78 H new ATOM 0 HA PHE B 113 4.444 -4.021 -0.962 1.00 0.83 H new ATOM 0 HB2 PHE B 113 4.369 -1.481 -0.016 1.00 0.87 H new ATOM 0 HB3 PHE B 113 6.042 -1.539 -0.532 1.00 0.87 H new ATOM 0 HD1 PHE B 113 6.355 -2.657 -2.977 1.00 1.29 H new ATOM 0 HD2 PHE B 113 2.810 -0.763 -1.562 1.00 1.76 H new ATOM 0 HE1 PHE B 113 5.651 -2.250 -5.294 1.00 1.57 H new ATOM 0 HE2 PHE B 113 2.106 -0.349 -3.880 1.00 2.06 H new ATOM 0 HZ PHE B 113 3.525 -1.093 -5.750 1.00 1.78 H new ATOM 2258 N ILE B 114 7.416 -3.677 0.445 1.00 0.75 N ATOM 2259 CA ILE B 114 8.801 -4.126 0.400 1.00 0.79 C ATOM 2260 C ILE B 114 8.872 -5.635 0.624 1.00 0.85 C ATOM 2261 O ILE B 114 9.676 -6.333 -0.001 1.00 0.93 O ATOM 2262 CB ILE B 114 9.659 -3.411 1.467 1.00 0.76 C ATOM 2263 CG1 ILE B 114 9.551 -1.890 1.309 1.00 0.72 C ATOM 2264 CG2 ILE B 114 11.112 -3.857 1.370 1.00 0.89 C ATOM 2265 CD1 ILE B 114 10.121 -1.115 2.479 1.00 0.69 C ATOM 0 H ILE B 114 7.186 -3.103 1.256 1.00 0.75 H new ATOM 0 HA ILE B 114 9.197 -3.880 -0.585 1.00 0.79 H new ATOM 0 HB ILE B 114 9.282 -3.683 2.453 1.00 0.76 H new ATOM 0 HG12 ILE B 114 10.070 -1.590 0.399 1.00 0.72 H new ATOM 0 HG13 ILE B 114 8.503 -1.620 1.182 1.00 0.72 H new ATOM 0 HG21 ILE B 114 11.702 -3.343 2.129 1.00 0.89 H new ATOM 0 HG22 ILE B 114 11.174 -4.933 1.530 1.00 0.89 H new ATOM 0 HG23 ILE B 114 11.502 -3.614 0.382 1.00 0.89 H new ATOM 0 HD11 ILE B 114 10.009 -0.046 2.296 1.00 0.69 H new ATOM 0 HD12 ILE B 114 9.586 -1.385 3.390 1.00 0.69 H new ATOM 0 HD13 ILE B 114 11.178 -1.355 2.594 1.00 0.69 H new ATOM 2277 N ILE B 115 8.015 -6.126 1.515 1.00 0.84 N ATOM 2278 CA ILE B 115 7.954 -7.545 1.830 1.00 0.90 C ATOM 2279 C ILE B 115 7.563 -8.356 0.598 1.00 0.98 C ATOM 2280 O ILE B 115 8.186 -9.369 0.297 1.00 1.05 O ATOM 2281 CB ILE B 115 6.949 -7.830 2.974 1.00 0.89 C ATOM 2282 CG1 ILE B 115 7.509 -7.339 4.310 1.00 0.91 C ATOM 2283 CG2 ILE B 115 6.619 -9.316 3.059 1.00 0.95 C ATOM 2284 CD1 ILE B 115 6.502 -7.352 5.440 1.00 0.95 C ATOM 0 H ILE B 115 7.349 -5.554 2.034 1.00 0.84 H new ATOM 0 HA ILE B 115 8.949 -7.845 2.159 1.00 0.90 H new ATOM 0 HB ILE B 115 6.029 -7.289 2.754 1.00 0.89 H new ATOM 0 HG12 ILE B 115 8.359 -7.962 4.587 1.00 0.91 H new ATOM 0 HG13 ILE B 115 7.885 -6.324 4.184 1.00 0.91 H new ATOM 0 HG21 ILE B 115 5.912 -9.486 3.871 1.00 0.95 H new ATOM 0 HG22 ILE B 115 6.178 -9.645 2.118 1.00 0.95 H new ATOM 0 HG23 ILE B 115 7.532 -9.881 3.249 1.00 0.95 H new ATOM 0 HD11 ILE B 115 6.975 -6.990 6.353 1.00 0.95 H new ATOM 0 HD12 ILE B 115 5.662 -6.706 5.186 1.00 0.95 H new ATOM 0 HD13 ILE B 115 6.143 -8.369 5.596 1.00 0.95 H new ATOM 2296 N ASP B 116 6.547 -7.892 -0.125 1.00 1.03 N ATOM 2297 CA ASP B 116 6.080 -8.593 -1.319 1.00 1.15 C ATOM 2298 C ASP B 116 7.181 -8.660 -2.370 1.00 1.08 C ATOM 2299 O ASP B 116 7.317 -9.659 -3.082 1.00 1.16 O ATOM 2300 CB ASP B 116 4.839 -7.917 -1.902 1.00 1.29 C ATOM 2301 CG ASP B 116 3.863 -8.931 -2.464 1.00 1.56 C ATOM 2302 OD1 ASP B 116 3.044 -9.463 -1.681 1.00 1.57 O ATOM 2303 OD2 ASP B 116 3.916 -9.214 -3.680 1.00 2.13 O ATOM 0 H ASP B 116 6.033 -7.038 0.093 1.00 1.03 H new ATOM 0 HA ASP B 116 5.814 -9.608 -1.025 1.00 1.15 H new ATOM 0 HB2 ASP B 116 4.347 -7.328 -1.128 1.00 1.29 H new ATOM 0 HB3 ASP B 116 5.137 -7.224 -2.688 1.00 1.29 H new ATOM 2308 N ASN B 117 7.972 -7.597 -2.447 1.00 0.95 N ATOM 2309 CA ASN B 117 9.076 -7.524 -3.397 1.00 0.93 C ATOM 2310 C ASN B 117 10.123 -8.592 -3.094 1.00 0.95 C ATOM 2311 O ASN B 117 10.609 -9.267 -3.999 1.00 1.00 O ATOM 2312 CB ASN B 117 9.719 -6.131 -3.370 1.00 0.97 C ATOM 2313 CG ASN B 117 10.926 -6.027 -4.290 1.00 1.17 C ATOM 2314 OD1 ASN B 117 10.788 -5.834 -5.498 1.00 1.29 O ATOM 2315 ND2 ASN B 117 12.121 -6.142 -3.724 1.00 1.38 N ATOM 0 H ASN B 117 7.869 -6.769 -1.860 1.00 0.95 H new ATOM 0 HA ASN B 117 8.676 -7.706 -4.394 1.00 0.93 H new ATOM 0 HB2 ASN B 117 8.978 -5.387 -3.663 1.00 0.97 H new ATOM 0 HB3 ASN B 117 10.022 -5.894 -2.350 1.00 0.97 H new ATOM 0 HD21 ASN B 117 12.964 -6.071 -4.294 1.00 1.38 H new ATOM 0 HD22 ASN B 117 12.196 -6.302 -2.719 1.00 1.38 H new ATOM 2322 N THR B 118 10.456 -8.755 -1.816 1.00 1.00 N ATOM 2323 CA THR B 118 11.447 -9.745 -1.410 1.00 1.12 C ATOM 2324 C THR B 118 10.841 -11.145 -1.396 1.00 1.21 C ATOM 2325 O THR B 118 11.545 -12.146 -1.548 1.00 1.37 O ATOM 2326 CB THR B 118 12.035 -9.416 -0.026 1.00 1.19 C ATOM 2327 OG1 THR B 118 11.111 -8.608 0.720 1.00 1.29 O ATOM 2328 CG2 THR B 118 13.362 -8.684 -0.163 1.00 1.57 C ATOM 0 H THR B 118 10.056 -8.217 -1.048 1.00 1.00 H new ATOM 0 HA THR B 118 12.254 -9.716 -2.142 1.00 1.12 H new ATOM 0 HB THR B 118 12.208 -10.353 0.504 1.00 1.19 H new ATOM 0 HG1 THR B 118 11.491 -8.404 1.600 1.00 1.29 H new ATOM 0 HG21 THR B 118 13.759 -8.462 0.828 1.00 1.57 H new ATOM 0 HG22 THR B 118 14.069 -9.312 -0.705 1.00 1.57 H new ATOM 0 HG23 THR B 118 13.210 -7.754 -0.710 1.00 1.57 H new ATOM 2336 N LYS B 119 9.530 -11.199 -1.195 1.00 1.22 N ATOM 2337 CA LYS B 119 8.793 -12.455 -1.183 1.00 1.37 C ATOM 2338 C LYS B 119 8.791 -13.051 -2.586 1.00 1.41 C ATOM 2339 O LYS B 119 8.895 -14.264 -2.764 1.00 1.65 O ATOM 2340 CB LYS B 119 7.362 -12.198 -0.704 1.00 1.44 C ATOM 2341 CG LYS B 119 6.553 -13.451 -0.404 1.00 1.57 C ATOM 2342 CD LYS B 119 5.204 -13.102 0.220 1.00 1.83 C ATOM 2343 CE LYS B 119 4.317 -12.333 -0.752 1.00 1.82 C ATOM 2344 NZ LYS B 119 3.300 -11.503 -0.053 1.00 1.87 N ATOM 0 H LYS B 119 8.950 -10.375 -1.036 1.00 1.22 H new ATOM 0 HA LYS B 119 9.268 -13.162 -0.503 1.00 1.37 H new ATOM 0 HB2 LYS B 119 7.400 -11.584 0.196 1.00 1.44 H new ATOM 0 HB3 LYS B 119 6.838 -11.618 -1.464 1.00 1.44 H new ATOM 0 HG2 LYS B 119 6.396 -14.014 -1.324 1.00 1.57 H new ATOM 0 HG3 LYS B 119 7.114 -14.096 0.273 1.00 1.57 H new ATOM 0 HD2 LYS B 119 4.698 -14.017 0.529 1.00 1.83 H new ATOM 0 HD3 LYS B 119 5.362 -12.506 1.119 1.00 1.83 H new ATOM 0 HE2 LYS B 119 4.938 -11.692 -1.378 1.00 1.82 H new ATOM 0 HE3 LYS B 119 3.815 -13.036 -1.416 1.00 1.82 H new ATOM 0 HZ1 LYS B 119 3.313 -10.538 -0.441 1.00 1.87 H new ATOM 0 HZ2 LYS B 119 2.357 -11.919 -0.192 1.00 1.87 H new ATOM 0 HZ3 LYS B 119 3.518 -11.470 0.963 1.00 1.87 H new ATOM 2358 N GLY B 120 8.674 -12.177 -3.579 1.00 1.52 N ATOM 2359 CA GLY B 120 8.686 -12.603 -4.960 1.00 1.69 C ATOM 2360 C GLY B 120 7.342 -13.101 -5.446 1.00 1.69 C ATOM 2361 O GLY B 120 7.281 -14.018 -6.264 1.00 2.16 O ATOM 0 H GLY B 120 8.570 -11.171 -3.446 1.00 1.52 H new ATOM 0 HA2 GLY B 120 9.005 -11.770 -5.587 1.00 1.69 H new ATOM 0 HA3 GLY B 120 9.425 -13.395 -5.082 1.00 1.69 H new ATOM 2365 N GLN B 121 6.258 -12.502 -4.968 1.00 1.54 N ATOM 2366 CA GLN B 121 4.927 -12.922 -5.393 1.00 1.83 C ATOM 2367 C GLN B 121 4.715 -12.574 -6.863 1.00 1.53 C ATOM 2368 O GLN B 121 4.249 -13.397 -7.651 1.00 1.76 O ATOM 2369 CB GLN B 121 3.834 -12.271 -4.540 1.00 2.41 C ATOM 2370 CG GLN B 121 2.422 -12.644 -4.979 1.00 3.25 C ATOM 2371 CD GLN B 121 1.334 -11.950 -4.178 1.00 3.93 C ATOM 2372 OE1 GLN B 121 0.247 -12.497 -3.987 1.00 4.44 O ATOM 2373 NE2 GLN B 121 1.604 -10.746 -3.709 1.00 4.31 N ATOM 0 H GLN B 121 6.272 -11.735 -4.296 1.00 1.54 H new ATOM 0 HA GLN B 121 4.858 -14.002 -5.261 1.00 1.83 H new ATOM 0 HB2 GLN B 121 3.973 -12.564 -3.499 1.00 2.41 H new ATOM 0 HB3 GLN B 121 3.946 -11.188 -4.584 1.00 2.41 H new ATOM 0 HG2 GLN B 121 2.300 -12.395 -6.033 1.00 3.25 H new ATOM 0 HG3 GLN B 121 2.296 -13.723 -4.890 1.00 3.25 H new ATOM 0 HE21 GLN B 121 2.515 -10.322 -3.886 1.00 4.31 H new ATOM 0 HE22 GLN B 121 0.902 -10.239 -3.170 1.00 4.31 H new ATOM 2382 N MET B 122 5.093 -11.356 -7.230 1.00 1.52 N ATOM 2383 CA MET B 122 4.945 -10.891 -8.606 1.00 1.72 C ATOM 2384 C MET B 122 6.187 -11.195 -9.437 1.00 1.91 C ATOM 2385 O MET B 122 6.228 -10.906 -10.630 1.00 2.38 O ATOM 2386 CB MET B 122 4.669 -9.384 -8.636 1.00 2.18 C ATOM 2387 CG MET B 122 5.785 -8.543 -8.032 1.00 2.58 C ATOM 2388 SD MET B 122 5.653 -6.793 -8.457 1.00 3.62 S ATOM 2389 CE MET B 122 6.120 -6.830 -10.188 1.00 3.50 C ATOM 0 H MET B 122 5.504 -10.672 -6.595 1.00 1.52 H new ATOM 0 HA MET B 122 4.100 -11.426 -9.040 1.00 1.72 H new ATOM 0 HB2 MET B 122 4.511 -9.073 -9.669 1.00 2.18 H new ATOM 0 HB3 MET B 122 3.743 -9.183 -8.097 1.00 2.18 H new ATOM 0 HG2 MET B 122 5.768 -8.651 -6.947 1.00 2.58 H new ATOM 0 HG3 MET B 122 6.747 -8.924 -8.375 1.00 2.58 H new ATOM 0 HE1 MET B 122 6.414 -5.830 -10.507 1.00 3.50 H new ATOM 0 HE2 MET B 122 6.956 -7.515 -10.325 1.00 3.50 H new ATOM 0 HE3 MET B 122 5.273 -7.167 -10.786 1.00 3.50 H new