USER MOD reduce.3.24.130724 H: found=0, std=0, add=1083, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 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 8 TYR OH : rot 180:sc= 0.0931 USER MOD Set 1.2: B 32 HIS : no HE2:sc= 0.586 K(o=0.68,f=-4.1!) USER MOD Set 2.1: A 49 GLN : amide:sc= -0.313 K(o=0.47,f=-0.29) USER MOD Set 2.2: B 18 THR OG1 : rot 67:sc= 0.6 USER MOD Set 2.3: B 19 ASN :FLIP amide:sc= 0.18 F(o=-1,f=0.47) USER MOD Single : A 1 MET CE :methyl -179:sc= -0.699 (180deg=-0.726) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0548 (180deg=-0.319) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 89:sc= -0.0348 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0194 (180deg=-0.19) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -51:sc= 0.738 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00314 USER MOD Single : A 25 ASN : amide:sc=-0.00812 X(o=-0.0081,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0.104 (180deg=0.0869) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= -1.7 (180deg=-1.98) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.09! C(o=-2.9!,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= 0.0521 K(o=0.052,f=-3.1!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= -0.339 (180deg=-0.436) USER MOD Single : A 55 THR OG1 : rot -93:sc= 0.484 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 15:sc= 0.367 USER MOD Single : A 60 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0294 (180deg=-0.179) USER MOD Single : A 65 SER OG : rot -117:sc= -0.0472 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.613 K(o=-0.61,f=-2.1) USER MOD Single : B 6 LYS NZ :NH3+ 166:sc= -0.0361 (180deg=-0.221) USER MOD Single : B 9 CYS SG : rot -22:sc= -3.2! USER MOD Single : B 11 THR OG1 : rot 146:sc= 1.27 USER MOD Single : B 15 TYR OH : rot 0:sc= -0.0682 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.313 USER MOD Single : B 24 THR OG1 : rot 180:sc= 0.679 USER MOD Single : B 35 SER OG : rot 180:sc= -0.0579 USER MOD Single : B 36 LYS NZ :NH3+ 179:sc= -0.524 (180deg=-0.544) USER MOD Single : B 38 THR OG1 : rot -106:sc= 1.24 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 ASN :FLIP amide:sc= -0.0577 F(o=-1.7!,f=-0.058) USER MOD Single : B 51 LYS NZ :NH3+ -172:sc= -0.78 (180deg=-1) USER MOD Single : B 58 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : B 62 GLN : amide:sc= -0.726 K(o=-0.73,f=-6.1!) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.709 -20.447 -6.169 1.00 15.13 N ATOM 2 CA MET A 1 -14.150 -19.521 -5.093 1.00 14.88 C ATOM 3 C MET A 1 -13.797 -18.079 -5.442 1.00 13.56 C ATOM 4 O MET A 1 -13.112 -17.821 -6.433 1.00 12.96 O ATOM 5 CB MET A 1 -13.500 -19.914 -3.762 1.00 15.67 C ATOM 6 CG MET A 1 -13.791 -21.347 -3.342 1.00 15.34 C ATOM 7 SD MET A 1 -13.046 -21.780 -1.757 1.00 16.50 S ATOM 8 CE MET A 1 -11.303 -21.664 -2.154 1.00 15.91 C ATOM 0 H1 MET A 1 -14.145 -21.380 -6.024 1.00 15.13 H new ATOM 0 H2 MET A 1 -13.999 -20.069 -7.093 1.00 15.13 H new ATOM 0 H3 MET A 1 -12.674 -20.541 -6.143 1.00 15.13 H new ATOM 0 HA MET A 1 -15.233 -19.596 -4.997 1.00 14.88 H new ATOM 0 HB2 MET A 1 -12.421 -19.779 -3.840 1.00 15.67 H new ATOM 0 HB3 MET A 1 -13.850 -19.237 -2.982 1.00 15.67 H new ATOM 0 HG2 MET A 1 -14.870 -21.491 -3.282 1.00 15.34 H new ATOM 0 HG3 MET A 1 -13.421 -22.027 -4.109 1.00 15.34 H new ATOM 0 HE1 MET A 1 -10.712 -21.922 -1.275 1.00 15.91 H new ATOM 0 HE2 MET A 1 -11.068 -22.353 -2.965 1.00 15.91 H new ATOM 0 HE3 MET A 1 -11.067 -20.646 -2.464 1.00 15.91 H new ATOM 20 N GLN A 2 -14.266 -17.142 -4.620 1.00 13.22 N ATOM 21 CA GLN A 2 -14.002 -15.723 -4.845 1.00 12.04 C ATOM 22 C GLN A 2 -12.638 -15.330 -4.290 1.00 11.88 C ATOM 23 O GLN A 2 -12.183 -15.879 -3.286 1.00 12.64 O ATOM 24 CB GLN A 2 -15.092 -14.868 -4.192 1.00 11.89 C ATOM 25 CG GLN A 2 -16.497 -15.186 -4.680 1.00 10.95 C ATOM 26 CD GLN A 2 -17.534 -14.226 -4.128 1.00 11.15 C ATOM 27 OE1 GLN A 2 -17.833 -13.199 -4.738 1.00 10.74 O ATOM 28 NE2 GLN A 2 -18.086 -14.553 -2.966 1.00 11.94 N ATOM 0 H GLN A 2 -14.830 -17.340 -3.793 1.00 13.22 H new ATOM 0 HA GLN A 2 -14.005 -15.546 -5.921 1.00 12.04 H new ATOM 0 HB2 GLN A 2 -15.052 -15.008 -3.112 1.00 11.89 H new ATOM 0 HB3 GLN A 2 -14.880 -13.816 -4.385 1.00 11.89 H new ATOM 0 HG2 GLN A 2 -16.517 -15.150 -5.769 1.00 10.95 H new ATOM 0 HG3 GLN A 2 -16.758 -16.204 -4.390 1.00 10.95 H new ATOM 0 HE21 GLN A 2 -17.809 -15.414 -2.494 1.00 11.94 H new ATOM 0 HE22 GLN A 2 -18.787 -13.943 -2.545 1.00 11.94 H new ATOM 37 N ILE A 3 -11.992 -14.378 -4.956 1.00 10.95 N ATOM 38 CA ILE A 3 -10.681 -13.895 -4.536 1.00 10.68 C ATOM 39 C ILE A 3 -10.526 -12.412 -4.849 1.00 9.47 C ATOM 40 O ILE A 3 -11.197 -11.880 -5.733 1.00 8.82 O ATOM 41 CB ILE A 3 -9.534 -14.676 -5.215 1.00 10.84 C ATOM 42 CG1 ILE A 3 -9.711 -14.683 -6.738 1.00 10.19 C ATOM 43 CG2 ILE A 3 -9.467 -16.099 -4.678 1.00 12.19 C ATOM 44 CD1 ILE A 3 -8.489 -15.162 -7.490 1.00 10.30 C ATOM 0 H ILE A 3 -12.357 -13.924 -5.793 1.00 10.95 H new ATOM 0 HA ILE A 3 -10.618 -14.053 -3.459 1.00 10.68 H new ATOM 0 HB ILE A 3 -8.594 -14.175 -4.983 1.00 10.84 H new ATOM 0 HG12 ILE A 3 -10.557 -15.321 -6.994 1.00 10.19 H new ATOM 0 HG13 ILE A 3 -9.960 -13.675 -7.071 1.00 10.19 H new ATOM 0 HG21 ILE A 3 -8.653 -16.635 -5.167 1.00 12.19 H new ATOM 0 HG22 ILE A 3 -9.290 -16.074 -3.603 1.00 12.19 H new ATOM 0 HG23 ILE A 3 -10.409 -16.608 -4.879 1.00 12.19 H new ATOM 0 HD11 ILE A 3 -8.689 -15.140 -8.561 1.00 10.30 H new ATOM 0 HD12 ILE A 3 -7.645 -14.511 -7.265 1.00 10.30 H new ATOM 0 HD13 ILE A 3 -8.252 -16.182 -7.187 1.00 10.30 H new ATOM 56 N PHE A 4 -9.639 -11.755 -4.113 1.00 9.25 N ATOM 57 CA PHE A 4 -9.383 -10.333 -4.300 1.00 8.23 C ATOM 58 C PHE A 4 -8.014 -10.118 -4.933 1.00 7.51 C ATOM 59 O PHE A 4 -7.080 -10.886 -4.692 1.00 7.97 O ATOM 60 CB PHE A 4 -9.463 -9.599 -2.959 1.00 8.76 C ATOM 61 CG PHE A 4 -10.828 -9.647 -2.328 1.00 9.63 C ATOM 62 CD1 PHE A 4 -11.236 -10.760 -1.608 1.00 10.81 C ATOM 63 CD2 PHE A 4 -11.704 -8.580 -2.457 1.00 9.35 C ATOM 64 CE1 PHE A 4 -12.490 -10.807 -1.030 1.00 11.64 C ATOM 65 CE2 PHE A 4 -12.960 -8.621 -1.880 1.00 10.22 C ATOM 66 CZ PHE A 4 -13.353 -9.735 -1.165 1.00 11.33 C ATOM 0 H PHE A 4 -9.082 -12.188 -3.376 1.00 9.25 H new ATOM 0 HA PHE A 4 -10.144 -9.930 -4.968 1.00 8.23 H new ATOM 0 HB2 PHE A 4 -8.738 -10.035 -2.272 1.00 8.76 H new ATOM 0 HB3 PHE A 4 -9.176 -8.558 -3.106 1.00 8.76 H new ATOM 0 HD1 PHE A 4 -10.566 -11.600 -1.498 1.00 10.81 H new ATOM 0 HD2 PHE A 4 -11.402 -7.706 -3.015 1.00 9.35 H new ATOM 0 HE1 PHE A 4 -12.796 -11.680 -0.473 1.00 11.64 H new ATOM 0 HE2 PHE A 4 -13.633 -7.783 -1.988 1.00 10.22 H new ATOM 0 HZ PHE A 4 -14.333 -9.769 -0.712 1.00 11.33 H new ATOM 76 N VAL A 5 -7.906 -9.074 -5.746 1.00 6.47 N ATOM 77 CA VAL A 5 -6.654 -8.752 -6.419 1.00 5.80 C ATOM 78 C VAL A 5 -6.403 -7.247 -6.394 1.00 4.97 C ATOM 79 O VAL A 5 -7.013 -6.492 -7.150 1.00 4.55 O ATOM 80 CB VAL A 5 -6.655 -9.253 -7.877 1.00 5.60 C ATOM 81 CG1 VAL A 5 -5.341 -8.918 -8.565 1.00 5.38 C ATOM 82 CG2 VAL A 5 -6.923 -10.751 -7.926 1.00 6.66 C ATOM 0 H VAL A 5 -8.673 -8.435 -5.955 1.00 6.47 H new ATOM 0 HA VAL A 5 -5.853 -9.259 -5.881 1.00 5.80 H new ATOM 0 HB VAL A 5 -7.456 -8.743 -8.413 1.00 5.60 H new ATOM 0 HG11 VAL A 5 -5.365 -9.281 -9.592 1.00 5.38 H new ATOM 0 HG12 VAL A 5 -5.196 -7.838 -8.565 1.00 5.38 H new ATOM 0 HG13 VAL A 5 -4.519 -9.395 -8.031 1.00 5.38 H new ATOM 0 HG21 VAL A 5 -6.920 -11.087 -8.963 1.00 6.66 H new ATOM 0 HG22 VAL A 5 -6.147 -11.278 -7.371 1.00 6.66 H new ATOM 0 HG23 VAL A 5 -7.895 -10.962 -7.479 1.00 6.66 H new ATOM 92 N LYS A 6 -5.497 -6.822 -5.521 1.00 4.99 N ATOM 93 CA LYS A 6 -5.162 -5.409 -5.381 1.00 4.54 C ATOM 94 C LYS A 6 -4.229 -4.952 -6.501 1.00 3.66 C ATOM 95 O LYS A 6 -3.635 -5.770 -7.202 1.00 3.73 O ATOM 96 CB LYS A 6 -4.507 -5.166 -4.016 1.00 5.41 C ATOM 97 CG LYS A 6 -4.044 -3.732 -3.792 1.00 5.62 C ATOM 98 CD LYS A 6 -3.402 -3.562 -2.423 1.00 6.25 C ATOM 99 CE LYS A 6 -2.790 -2.180 -2.260 1.00 6.57 C ATOM 100 NZ LYS A 6 -2.149 -2.010 -0.927 1.00 6.86 N ATOM 0 H LYS A 6 -4.978 -7.439 -4.896 1.00 4.99 H new ATOM 0 HA LYS A 6 -6.081 -4.828 -5.450 1.00 4.54 H new ATOM 0 HB2 LYS A 6 -5.216 -5.434 -3.233 1.00 5.41 H new ATOM 0 HB3 LYS A 6 -3.651 -5.833 -3.912 1.00 5.41 H new ATOM 0 HG2 LYS A 6 -3.330 -3.454 -4.567 1.00 5.62 H new ATOM 0 HG3 LYS A 6 -4.894 -3.055 -3.883 1.00 5.62 H new ATOM 0 HD2 LYS A 6 -4.150 -3.723 -1.647 1.00 6.25 H new ATOM 0 HD3 LYS A 6 -2.631 -4.320 -2.285 1.00 6.25 H new ATOM 0 HE2 LYS A 6 -2.049 -2.017 -3.043 1.00 6.57 H new ATOM 0 HE3 LYS A 6 -3.563 -1.423 -2.390 1.00 6.57 H new ATOM 0 HZ1 LYS A 6 -1.744 -1.055 -0.856 1.00 6.86 H new ATOM 0 HZ2 LYS A 6 -2.861 -2.141 -0.180 1.00 6.86 H new ATOM 0 HZ3 LYS A 6 -1.394 -2.716 -0.812 1.00 6.86 H new ATOM 114 N THR A 7 -4.117 -3.636 -6.659 1.00 3.27 N ATOM 115 CA THR A 7 -3.255 -3.043 -7.676 1.00 2.97 C ATOM 116 C THR A 7 -2.549 -1.817 -7.105 1.00 3.21 C ATOM 117 O THR A 7 -3.109 -1.109 -6.267 1.00 3.79 O ATOM 118 CB THR A 7 -4.057 -2.629 -8.927 1.00 3.37 C ATOM 119 OG1 THR A 7 -4.950 -3.683 -9.307 1.00 3.78 O ATOM 120 CG2 THR A 7 -3.126 -2.308 -10.089 1.00 3.68 C ATOM 0 H THR A 7 -4.618 -2.954 -6.089 1.00 3.27 H new ATOM 0 HA THR A 7 -2.523 -3.795 -7.970 1.00 2.97 H new ATOM 0 HB THR A 7 -4.630 -1.734 -8.682 1.00 3.37 H new ATOM 0 HG1 THR A 7 -5.804 -3.573 -8.839 1.00 3.78 H new ATOM 0 HG21 THR A 7 -3.716 -2.019 -10.959 1.00 3.68 H new ATOM 0 HG22 THR A 7 -2.465 -1.487 -9.810 1.00 3.68 H new ATOM 0 HG23 THR A 7 -2.530 -3.188 -10.331 1.00 3.68 H new ATOM 128 N LEU A 8 -1.323 -1.567 -7.558 1.00 3.26 N ATOM 129 CA LEU A 8 -0.551 -0.426 -7.073 1.00 3.74 C ATOM 130 C LEU A 8 -1.260 0.893 -7.370 1.00 4.78 C ATOM 131 O LEU A 8 -0.960 1.921 -6.762 1.00 5.48 O ATOM 132 CB LEU A 8 0.859 -0.432 -7.676 1.00 3.85 C ATOM 133 CG LEU A 8 0.939 -0.403 -9.210 1.00 3.89 C ATOM 134 CD1 LEU A 8 0.690 1.001 -9.747 1.00 4.36 C ATOM 135 CD2 LEU A 8 2.293 -0.916 -9.678 1.00 4.09 C ATOM 0 H LEU A 8 -0.845 -2.136 -8.257 1.00 3.26 H new ATOM 0 HA LEU A 8 -0.464 -0.519 -5.990 1.00 3.74 H new ATOM 0 HB2 LEU A 8 1.402 0.430 -7.288 1.00 3.85 H new ATOM 0 HB3 LEU A 8 1.380 -1.322 -7.322 1.00 3.85 H new ATOM 0 HG LEU A 8 0.159 -1.057 -9.601 1.00 3.89 H new ATOM 0 HD11 LEU A 8 0.753 0.991 -10.835 1.00 4.36 H new ATOM 0 HD12 LEU A 8 -0.302 1.336 -9.444 1.00 4.36 H new ATOM 0 HD13 LEU A 8 1.441 1.682 -9.347 1.00 4.36 H new ATOM 0 HD21 LEU A 8 2.335 -0.890 -10.767 1.00 4.09 H new ATOM 0 HD22 LEU A 8 3.082 -0.285 -9.269 1.00 4.09 H new ATOM 0 HD23 LEU A 8 2.433 -1.941 -9.334 1.00 4.09 H new ATOM 147 N THR A 9 -2.205 0.856 -8.307 1.00 5.08 N ATOM 148 CA THR A 9 -2.967 2.045 -8.677 1.00 6.24 C ATOM 149 C THR A 9 -3.980 2.391 -7.590 1.00 6.58 C ATOM 150 O THR A 9 -4.242 3.565 -7.324 1.00 7.61 O ATOM 151 CB THR A 9 -3.709 1.843 -10.012 1.00 6.63 C ATOM 152 OG1 THR A 9 -4.607 0.730 -9.909 1.00 5.90 O ATOM 153 CG2 THR A 9 -2.726 1.604 -11.150 1.00 7.65 C ATOM 0 H THR A 9 -2.461 0.015 -8.824 1.00 5.08 H new ATOM 0 HA THR A 9 -2.257 2.864 -8.790 1.00 6.24 H new ATOM 0 HB THR A 9 -4.275 2.749 -10.228 1.00 6.63 H new ATOM 0 HG1 THR A 9 -5.076 0.609 -10.761 1.00 5.90 H new ATOM 0 HG21 THR A 9 -3.275 1.464 -12.081 1.00 7.65 H new ATOM 0 HG22 THR A 9 -2.063 2.464 -11.245 1.00 7.65 H new ATOM 0 HG23 THR A 9 -2.136 0.712 -10.940 1.00 7.65 H new ATOM 161 N GLY A 10 -4.544 1.356 -6.966 1.00 5.95 N ATOM 162 CA GLY A 10 -5.524 1.553 -5.909 1.00 6.60 C ATOM 163 C GLY A 10 -6.788 0.740 -6.126 1.00 6.46 C ATOM 164 O GLY A 10 -7.590 0.568 -5.208 1.00 7.08 O ATOM 0 H GLY A 10 -4.337 0.379 -7.176 1.00 5.95 H new ATOM 0 HA2 GLY A 10 -5.080 1.280 -4.952 1.00 6.60 H new ATOM 0 HA3 GLY A 10 -5.782 2.610 -5.850 1.00 6.60 H new ATOM 168 N LYS A 11 -6.958 0.241 -7.346 1.00 5.81 N ATOM 169 CA LYS A 11 -8.136 -0.548 -7.701 1.00 5.70 C ATOM 170 C LYS A 11 -7.996 -2.015 -7.300 1.00 5.01 C ATOM 171 O LYS A 11 -6.947 -2.630 -7.493 1.00 4.26 O ATOM 172 CB LYS A 11 -8.403 -0.447 -9.206 1.00 5.63 C ATOM 173 CG LYS A 11 -9.664 -1.175 -9.651 1.00 5.81 C ATOM 174 CD LYS A 11 -9.880 -1.052 -11.153 1.00 6.13 C ATOM 175 CE LYS A 11 -11.143 -1.775 -11.597 1.00 6.58 C ATOM 176 NZ LYS A 11 -12.367 -1.188 -10.984 1.00 6.35 N ATOM 0 H LYS A 11 -6.293 0.369 -8.109 1.00 5.81 H new ATOM 0 HA LYS A 11 -8.978 -0.135 -7.146 1.00 5.70 H new ATOM 0 HB2 LYS A 11 -8.484 0.604 -9.483 1.00 5.63 H new ATOM 0 HB3 LYS A 11 -7.548 -0.854 -9.746 1.00 5.63 H new ATOM 0 HG2 LYS A 11 -9.593 -2.228 -9.378 1.00 5.81 H new ATOM 0 HG3 LYS A 11 -10.526 -0.766 -9.124 1.00 5.81 H new ATOM 0 HD2 LYS A 11 -9.947 0.001 -11.427 1.00 6.13 H new ATOM 0 HD3 LYS A 11 -9.020 -1.464 -11.680 1.00 6.13 H new ATOM 0 HE2 LYS A 11 -11.224 -1.729 -12.683 1.00 6.58 H new ATOM 0 HE3 LYS A 11 -11.072 -2.829 -11.327 1.00 6.58 H new ATOM 0 HZ1 LYS A 11 -13.210 -1.568 -11.460 1.00 6.35 H new ATOM 0 HZ2 LYS A 11 -12.401 -1.432 -9.974 1.00 6.35 H new ATOM 0 HZ3 LYS A 11 -12.346 -0.154 -11.089 1.00 6.35 H new ATOM 190 N THR A 12 -9.076 -2.557 -6.738 1.00 5.57 N ATOM 191 CA THR A 12 -9.131 -3.956 -6.325 1.00 5.50 C ATOM 192 C THR A 12 -10.181 -4.687 -7.156 1.00 5.42 C ATOM 193 O THR A 12 -11.342 -4.277 -7.195 1.00 6.02 O ATOM 194 CB THR A 12 -9.473 -4.094 -4.828 1.00 6.58 C ATOM 195 OG1 THR A 12 -8.449 -3.483 -4.036 1.00 6.95 O ATOM 196 CG2 THR A 12 -9.619 -5.558 -4.432 1.00 6.85 C ATOM 0 H THR A 12 -9.935 -2.038 -6.557 1.00 5.57 H new ATOM 0 HA THR A 12 -8.147 -4.396 -6.487 1.00 5.50 H new ATOM 0 HB THR A 12 -10.424 -3.592 -4.650 1.00 6.58 H new ATOM 0 HG1 THR A 12 -8.673 -3.572 -3.086 1.00 6.95 H new ATOM 0 HG21 THR A 12 -9.860 -5.626 -3.371 1.00 6.85 H new ATOM 0 HG22 THR A 12 -10.418 -6.015 -5.016 1.00 6.85 H new ATOM 0 HG23 THR A 12 -8.683 -6.082 -4.625 1.00 6.85 H new ATOM 204 N ILE A 13 -9.776 -5.769 -7.818 1.00 4.88 N ATOM 205 CA ILE A 13 -10.690 -6.529 -8.667 1.00 5.00 C ATOM 206 C ILE A 13 -10.999 -7.904 -8.081 1.00 5.65 C ATOM 207 O ILE A 13 -10.137 -8.546 -7.480 1.00 5.97 O ATOM 208 CB ILE A 13 -10.124 -6.690 -10.099 1.00 4.65 C ATOM 209 CG1 ILE A 13 -11.120 -7.431 -10.999 1.00 4.64 C ATOM 210 CG2 ILE A 13 -8.786 -7.417 -10.074 1.00 4.57 C ATOM 211 CD1 ILE A 13 -12.419 -6.684 -11.222 1.00 5.04 C ATOM 0 H ILE A 13 -8.826 -6.138 -7.783 1.00 4.88 H new ATOM 0 HA ILE A 13 -11.618 -5.959 -8.714 1.00 5.00 H new ATOM 0 HB ILE A 13 -9.965 -5.694 -10.511 1.00 4.65 H new ATOM 0 HG12 ILE A 13 -10.651 -7.621 -11.964 1.00 4.64 H new ATOM 0 HG13 ILE A 13 -11.342 -8.402 -10.556 1.00 4.64 H new ATOM 0 HG21 ILE A 13 -8.408 -7.518 -11.091 1.00 4.57 H new ATOM 0 HG22 ILE A 13 -8.074 -6.847 -9.477 1.00 4.57 H new ATOM 0 HG23 ILE A 13 -8.918 -8.406 -9.636 1.00 4.57 H new ATOM 0 HD11 ILE A 13 -13.071 -7.272 -11.868 1.00 5.04 H new ATOM 0 HD12 ILE A 13 -12.912 -6.518 -10.264 1.00 5.04 H new ATOM 0 HD13 ILE A 13 -12.210 -5.724 -11.694 1.00 5.04 H new ATOM 223 N THR A 14 -12.243 -8.342 -8.271 1.00 6.06 N ATOM 224 CA THR A 14 -12.697 -9.638 -7.778 1.00 6.90 C ATOM 225 C THR A 14 -12.698 -10.672 -8.899 1.00 7.04 C ATOM 226 O THR A 14 -13.135 -10.383 -10.015 1.00 6.70 O ATOM 227 CB THR A 14 -14.115 -9.548 -7.180 1.00 7.48 C ATOM 228 OG1 THR A 14 -15.040 -9.098 -8.179 1.00 7.14 O ATOM 229 CG2 THR A 14 -14.147 -8.598 -5.991 1.00 8.28 C ATOM 0 H THR A 14 -12.959 -7.811 -8.768 1.00 6.06 H new ATOM 0 HA THR A 14 -12.002 -9.944 -6.996 1.00 6.90 H new ATOM 0 HB THR A 14 -14.402 -10.542 -6.837 1.00 7.48 H new ATOM 0 HG1 THR A 14 -15.939 -9.045 -7.792 1.00 7.14 H new ATOM 0 HG21 THR A 14 -15.159 -8.553 -5.588 1.00 8.28 H new ATOM 0 HG22 THR A 14 -13.465 -8.957 -5.220 1.00 8.28 H new ATOM 0 HG23 THR A 14 -13.840 -7.603 -6.312 1.00 8.28 H new ATOM 237 N LEU A 15 -12.207 -11.874 -8.603 1.00 7.82 N ATOM 238 CA LEU A 15 -12.159 -12.949 -9.590 1.00 8.34 C ATOM 239 C LEU A 15 -12.658 -14.259 -8.990 1.00 9.47 C ATOM 240 O LEU A 15 -12.575 -14.471 -7.781 1.00 10.02 O ATOM 241 CB LEU A 15 -10.740 -13.132 -10.134 1.00 8.35 C ATOM 242 CG LEU A 15 -10.302 -12.090 -11.168 1.00 8.95 C ATOM 243 CD1 LEU A 15 -9.689 -10.877 -10.484 1.00 8.50 C ATOM 244 CD2 LEU A 15 -9.321 -12.703 -12.158 1.00 9.28 C ATOM 0 H LEU A 15 -11.837 -12.127 -7.687 1.00 7.82 H new ATOM 0 HA LEU A 15 -12.814 -12.669 -10.415 1.00 8.34 H new ATOM 0 HB2 LEU A 15 -10.041 -13.108 -9.298 1.00 8.35 H new ATOM 0 HB3 LEU A 15 -10.665 -14.122 -10.584 1.00 8.35 H new ATOM 0 HG LEU A 15 -11.184 -11.759 -11.717 1.00 8.95 H new ATOM 0 HD11 LEU A 15 -9.385 -10.150 -11.237 1.00 8.50 H new ATOM 0 HD12 LEU A 15 -10.424 -10.425 -9.818 1.00 8.50 H new ATOM 0 HD13 LEU A 15 -8.818 -11.187 -9.906 1.00 8.50 H new ATOM 0 HD21 LEU A 15 -9.020 -11.949 -12.886 1.00 9.28 H new ATOM 0 HD22 LEU A 15 -8.442 -13.063 -11.624 1.00 9.28 H new ATOM 0 HD23 LEU A 15 -9.798 -13.536 -12.675 1.00 9.28 H new ATOM 256 N GLU A 16 -13.182 -15.132 -9.848 1.00 9.94 N ATOM 257 CA GLU A 16 -13.707 -16.422 -9.413 1.00 11.04 C ATOM 258 C GLU A 16 -12.973 -17.582 -10.093 1.00 11.87 C ATOM 259 O GLU A 16 -13.223 -17.887 -11.260 1.00 12.00 O ATOM 260 CB GLU A 16 -15.208 -16.507 -9.707 1.00 11.14 C ATOM 261 CG GLU A 16 -16.067 -15.668 -8.770 1.00 10.90 C ATOM 262 CD GLU A 16 -15.700 -14.195 -8.790 1.00 11.52 C ATOM 263 OE1 GLU A 16 -15.836 -13.563 -9.860 1.00 11.47 O ATOM 264 OE2 GLU A 16 -15.276 -13.672 -7.738 1.00 12.19 O ATOM 0 H GLU A 16 -13.254 -14.967 -10.852 1.00 9.94 H new ATOM 0 HA GLU A 16 -13.545 -16.504 -8.338 1.00 11.04 H new ATOM 0 HB2 GLU A 16 -15.386 -16.186 -10.733 1.00 11.14 H new ATOM 0 HB3 GLU A 16 -15.524 -17.548 -9.639 1.00 11.14 H new ATOM 0 HG2 GLU A 16 -17.115 -15.780 -9.049 1.00 10.90 H new ATOM 0 HG3 GLU A 16 -15.965 -16.049 -7.754 1.00 10.90 H new ATOM 271 N VAL A 17 -12.070 -18.223 -9.349 1.00 12.56 N ATOM 272 CA VAL A 17 -11.296 -19.357 -9.861 1.00 13.49 C ATOM 273 C VAL A 17 -10.857 -20.273 -8.717 1.00 14.65 C ATOM 274 O VAL A 17 -10.108 -19.853 -7.833 1.00 14.73 O ATOM 275 CB VAL A 17 -10.046 -18.894 -10.647 1.00 13.20 C ATOM 276 CG1 VAL A 17 -10.423 -18.445 -12.051 1.00 12.43 C ATOM 277 CG2 VAL A 17 -9.321 -17.777 -9.905 1.00 12.71 C ATOM 0 H VAL A 17 -11.855 -17.974 -8.383 1.00 12.56 H new ATOM 0 HA VAL A 17 -11.949 -19.904 -10.541 1.00 13.49 H new ATOM 0 HB VAL A 17 -9.369 -19.744 -10.731 1.00 13.20 H new ATOM 0 HG11 VAL A 17 -9.527 -18.124 -12.583 1.00 12.43 H new ATOM 0 HG12 VAL A 17 -10.886 -19.274 -12.586 1.00 12.43 H new ATOM 0 HG13 VAL A 17 -11.126 -17.614 -11.991 1.00 12.43 H new ATOM 0 HG21 VAL A 17 -8.446 -17.468 -10.477 1.00 12.71 H new ATOM 0 HG22 VAL A 17 -9.992 -16.927 -9.781 1.00 12.71 H new ATOM 0 HG23 VAL A 17 -9.006 -18.136 -8.925 1.00 12.71 H new ATOM 287 N GLU A 18 -11.331 -21.525 -8.724 1.00 15.63 N ATOM 288 CA GLU A 18 -10.999 -22.498 -7.678 1.00 16.83 C ATOM 289 C GLU A 18 -9.496 -22.735 -7.511 1.00 17.34 C ATOM 290 O GLU A 18 -8.690 -22.342 -8.353 1.00 16.99 O ATOM 291 CB GLU A 18 -11.708 -23.829 -7.961 1.00 17.72 C ATOM 292 CG GLU A 18 -11.928 -24.114 -9.441 1.00 17.49 C ATOM 293 CD GLU A 18 -10.678 -23.901 -10.273 1.00 17.64 C ATOM 294 OE1 GLU A 18 -9.711 -24.674 -10.103 1.00 18.57 O ATOM 295 OE2 GLU A 18 -10.666 -22.962 -11.098 1.00 16.92 O ATOM 0 H GLU A 18 -11.950 -21.889 -9.448 1.00 15.63 H new ATOM 0 HA GLU A 18 -11.349 -22.070 -6.738 1.00 16.83 H new ATOM 0 HB2 GLU A 18 -11.121 -24.640 -7.529 1.00 17.72 H new ATOM 0 HB3 GLU A 18 -12.673 -23.829 -7.455 1.00 17.72 H new ATOM 0 HG2 GLU A 18 -12.268 -25.143 -9.562 1.00 17.49 H new ATOM 0 HG3 GLU A 18 -12.723 -23.469 -9.816 1.00 17.49 H new ATOM 302 N PRO A 19 -9.121 -23.408 -6.396 1.00 18.22 N ATOM 303 CA PRO A 19 -7.720 -23.719 -6.057 1.00 18.80 C ATOM 304 C PRO A 19 -7.003 -24.579 -7.097 1.00 19.40 C ATOM 305 O PRO A 19 -5.794 -24.446 -7.287 1.00 19.49 O ATOM 306 CB PRO A 19 -7.824 -24.479 -4.728 1.00 19.89 C ATOM 307 CG PRO A 19 -9.150 -24.098 -4.171 1.00 19.55 C ATOM 308 CD PRO A 19 -10.046 -23.906 -5.358 1.00 18.79 C ATOM 0 HA PRO A 19 -7.128 -22.805 -6.009 1.00 18.80 H new ATOM 0 HB2 PRO A 19 -7.755 -25.556 -4.882 1.00 19.89 H new ATOM 0 HB3 PRO A 19 -7.017 -24.202 -4.050 1.00 19.89 H new ATOM 0 HG2 PRO A 19 -9.535 -24.875 -3.510 1.00 19.55 H new ATOM 0 HG3 PRO A 19 -9.079 -23.184 -3.581 1.00 19.55 H new ATOM 0 HD2 PRO A 19 -10.524 -24.839 -5.658 1.00 18.79 H new ATOM 0 HD3 PRO A 19 -10.843 -23.191 -5.151 1.00 18.79 H new ATOM 316 N SER A 20 -7.741 -25.464 -7.764 1.00 19.87 N ATOM 317 CA SER A 20 -7.153 -26.348 -8.774 1.00 20.59 C ATOM 318 C SER A 20 -6.918 -25.602 -10.090 1.00 19.81 C ATOM 319 O SER A 20 -6.980 -26.193 -11.169 1.00 20.40 O ATOM 320 CB SER A 20 -8.066 -27.557 -9.008 1.00 21.46 C ATOM 321 OG SER A 20 -7.456 -28.500 -9.873 1.00 21.29 O ATOM 0 H SER A 20 -8.744 -25.590 -7.626 1.00 19.87 H new ATOM 0 HA SER A 20 -6.188 -26.694 -8.404 1.00 20.59 H new ATOM 0 HB2 SER A 20 -8.298 -28.031 -8.054 1.00 21.46 H new ATOM 0 HB3 SER A 20 -9.011 -27.225 -9.437 1.00 21.46 H new ATOM 0 HG SER A 20 -7.138 -28.045 -10.681 1.00 21.29 H new ATOM 327 N ASP A 21 -6.640 -24.303 -9.991 1.00 18.56 N ATOM 328 CA ASP A 21 -6.397 -23.472 -11.169 1.00 17.80 C ATOM 329 C ASP A 21 -4.961 -22.953 -11.184 1.00 17.76 C ATOM 330 O ASP A 21 -4.482 -22.399 -10.194 1.00 17.65 O ATOM 331 CB ASP A 21 -7.371 -22.293 -11.181 1.00 16.48 C ATOM 332 CG ASP A 21 -7.477 -21.639 -12.546 1.00 16.21 C ATOM 333 OD1 ASP A 21 -8.261 -22.136 -13.381 1.00 15.53 O ATOM 334 OD2 ASP A 21 -6.776 -20.632 -12.778 1.00 16.77 O ATOM 0 H ASP A 21 -6.577 -23.802 -9.105 1.00 18.56 H new ATOM 0 HA ASP A 21 -6.552 -24.084 -12.058 1.00 17.80 H new ATOM 0 HB2 ASP A 21 -8.357 -22.638 -10.870 1.00 16.48 H new ATOM 0 HB3 ASP A 21 -7.047 -21.551 -10.451 1.00 16.48 H new ATOM 339 N THR A 22 -4.282 -23.127 -12.315 1.00 17.95 N ATOM 340 CA THR A 22 -2.902 -22.673 -12.460 1.00 18.00 C ATOM 341 C THR A 22 -2.819 -21.150 -12.475 1.00 16.68 C ATOM 342 O THR A 22 -3.714 -20.478 -12.983 1.00 15.89 O ATOM 343 CB THR A 22 -2.260 -23.216 -13.752 1.00 18.92 C ATOM 344 OG1 THR A 22 -3.029 -22.812 -14.892 1.00 19.12 O ATOM 345 CG2 THR A 22 -2.162 -24.734 -13.712 1.00 20.15 C ATOM 0 H THR A 22 -4.665 -23.579 -13.145 1.00 17.95 H new ATOM 0 HA THR A 22 -2.356 -23.059 -11.599 1.00 18.00 H new ATOM 0 HB THR A 22 -1.254 -22.804 -13.830 1.00 18.92 H new ATOM 0 HG1 THR A 22 -2.612 -23.160 -15.708 1.00 19.12 H new ATOM 0 HG21 THR A 22 -1.706 -25.094 -14.634 1.00 20.15 H new ATOM 0 HG22 THR A 22 -1.550 -25.037 -12.862 1.00 20.15 H new ATOM 0 HG23 THR A 22 -3.160 -25.160 -13.611 1.00 20.15 H new ATOM 353 N ILE A 23 -1.735 -20.618 -11.917 1.00 16.47 N ATOM 354 CA ILE A 23 -1.521 -19.173 -11.865 1.00 15.26 C ATOM 355 C ILE A 23 -1.567 -18.569 -13.265 1.00 15.04 C ATOM 356 O ILE A 23 -2.049 -17.452 -13.450 1.00 14.00 O ATOM 357 CB ILE A 23 -0.175 -18.833 -11.186 1.00 15.26 C ATOM 358 CG1 ILE A 23 -0.284 -18.965 -9.660 1.00 15.58 C ATOM 359 CG2 ILE A 23 0.284 -17.426 -11.559 1.00 14.03 C ATOM 360 CD1 ILE A 23 -1.034 -20.191 -9.186 1.00 14.76 C ATOM 0 H ILE A 23 -0.988 -21.168 -11.493 1.00 16.47 H new ATOM 0 HA ILE A 23 -2.325 -18.741 -11.270 1.00 15.26 H new ATOM 0 HB ILE A 23 0.567 -19.546 -11.545 1.00 15.26 H new ATOM 0 HG12 ILE A 23 0.721 -18.984 -9.237 1.00 15.58 H new ATOM 0 HG13 ILE A 23 -0.779 -18.077 -9.266 1.00 15.58 H new ATOM 0 HG21 ILE A 23 1.233 -17.211 -11.068 1.00 14.03 H new ATOM 0 HG22 ILE A 23 0.411 -17.359 -12.640 1.00 14.03 H new ATOM 0 HG23 ILE A 23 -0.464 -16.702 -11.236 1.00 14.03 H new ATOM 0 HD11 ILE A 23 -1.062 -20.202 -8.096 1.00 14.76 H new ATOM 0 HD12 ILE A 23 -2.052 -20.167 -9.574 1.00 14.76 H new ATOM 0 HD13 ILE A 23 -0.529 -21.088 -9.545 1.00 14.76 H new ATOM 372 N GLU A 24 -1.063 -19.315 -14.246 1.00 16.12 N ATOM 373 CA GLU A 24 -1.057 -18.854 -15.630 1.00 16.23 C ATOM 374 C GLU A 24 -2.487 -18.681 -16.125 1.00 15.75 C ATOM 375 O GLU A 24 -2.812 -17.693 -16.788 1.00 15.19 O ATOM 376 CB GLU A 24 -0.308 -19.848 -16.522 1.00 17.64 C ATOM 377 CG GLU A 24 -0.090 -19.353 -17.945 1.00 17.99 C ATOM 378 CD GLU A 24 0.727 -18.074 -18.002 1.00 19.37 C ATOM 379 OE1 GLU A 24 0.130 -16.982 -17.884 1.00 19.87 O ATOM 380 OE2 GLU A 24 1.962 -18.164 -18.163 1.00 19.99 O ATOM 0 H GLU A 24 -0.655 -20.239 -14.107 1.00 16.12 H new ATOM 0 HA GLU A 24 -0.545 -17.893 -15.677 1.00 16.23 H new ATOM 0 HB2 GLU A 24 0.660 -20.068 -16.072 1.00 17.64 H new ATOM 0 HB3 GLU A 24 -0.865 -20.784 -16.554 1.00 17.64 H new ATOM 0 HG2 GLU A 24 0.415 -20.128 -18.521 1.00 17.99 H new ATOM 0 HG3 GLU A 24 -1.057 -19.183 -18.418 1.00 17.99 H new ATOM 387 N ASN A 25 -3.340 -19.649 -15.794 1.00 16.04 N ATOM 388 CA ASN A 25 -4.742 -19.602 -16.186 1.00 15.65 C ATOM 389 C ASN A 25 -5.429 -18.416 -15.518 1.00 14.26 C ATOM 390 O ASN A 25 -6.252 -17.736 -16.132 1.00 13.66 O ATOM 391 CB ASN A 25 -5.451 -20.904 -15.809 1.00 16.38 C ATOM 392 CG ASN A 25 -6.904 -20.915 -16.242 1.00 16.31 C ATOM 393 OD1 ASN A 25 -7.782 -20.440 -15.520 1.00 16.31 O ATOM 394 ND2 ASN A 25 -7.165 -21.455 -17.426 1.00 16.35 N ATOM 0 H ASN A 25 -3.081 -20.475 -15.255 1.00 16.04 H new ATOM 0 HA ASN A 25 -4.797 -19.482 -17.268 1.00 15.65 H new ATOM 0 HB2 ASN A 25 -4.931 -21.744 -16.269 1.00 16.38 H new ATOM 0 HB3 ASN A 25 -5.395 -21.046 -14.730 1.00 16.38 H new ATOM 0 HD21 ASN A 25 -8.124 -21.488 -17.771 1.00 16.35 H new ATOM 0 HD22 ASN A 25 -6.406 -21.837 -17.991 1.00 16.35 H new ATOM 401 N VAL A 26 -5.081 -18.172 -14.253 1.00 13.80 N ATOM 402 CA VAL A 26 -5.649 -17.054 -13.508 1.00 12.52 C ATOM 403 C VAL A 26 -5.298 -15.739 -14.192 1.00 11.74 C ATOM 404 O VAL A 26 -6.135 -14.845 -14.310 1.00 10.85 O ATOM 405 CB VAL A 26 -5.144 -17.014 -12.047 1.00 12.37 C ATOM 406 CG1 VAL A 26 -5.665 -15.775 -11.327 1.00 11.07 C ATOM 407 CG2 VAL A 26 -5.547 -18.277 -11.298 1.00 13.28 C ATOM 0 H VAL A 26 -4.411 -18.733 -13.727 1.00 13.80 H new ATOM 0 HA VAL A 26 -6.730 -17.194 -13.491 1.00 12.52 H new ATOM 0 HB VAL A 26 -4.055 -16.964 -12.069 1.00 12.37 H new ATOM 0 HG11 VAL A 26 -5.297 -15.769 -10.301 1.00 11.07 H new ATOM 0 HG12 VAL A 26 -5.316 -14.881 -11.843 1.00 11.07 H new ATOM 0 HG13 VAL A 26 -6.755 -15.789 -11.321 1.00 11.07 H new ATOM 0 HG21 VAL A 26 -5.180 -18.225 -10.273 1.00 13.28 H new ATOM 0 HG22 VAL A 26 -6.633 -18.365 -11.291 1.00 13.28 H new ATOM 0 HG23 VAL A 26 -5.116 -19.147 -11.794 1.00 13.28 H new ATOM 417 N LYS A 27 -4.047 -15.632 -14.642 1.00 12.21 N ATOM 418 CA LYS A 27 -3.579 -14.434 -15.330 1.00 11.77 C ATOM 419 C LYS A 27 -4.352 -14.226 -16.626 1.00 11.96 C ATOM 420 O LYS A 27 -4.585 -13.094 -17.044 1.00 11.29 O ATOM 421 CB LYS A 27 -2.080 -14.530 -15.629 1.00 12.57 C ATOM 422 CG LYS A 27 -1.197 -14.408 -14.398 1.00 12.29 C ATOM 423 CD LYS A 27 0.276 -14.362 -14.777 1.00 13.09 C ATOM 424 CE LYS A 27 1.166 -14.182 -13.558 1.00 12.80 C ATOM 425 NZ LYS A 27 2.607 -14.124 -13.930 1.00 13.67 N ATOM 0 H LYS A 27 -3.342 -16.362 -14.541 1.00 12.21 H new ATOM 0 HA LYS A 27 -3.751 -13.580 -14.674 1.00 11.77 H new ATOM 0 HB2 LYS A 27 -1.877 -15.484 -16.116 1.00 12.57 H new ATOM 0 HB3 LYS A 27 -1.810 -13.746 -16.337 1.00 12.57 H new ATOM 0 HG2 LYS A 27 -1.461 -13.506 -13.846 1.00 12.29 H new ATOM 0 HG3 LYS A 27 -1.378 -15.253 -13.733 1.00 12.29 H new ATOM 0 HD2 LYS A 27 0.548 -15.283 -15.293 1.00 13.09 H new ATOM 0 HD3 LYS A 27 0.446 -13.543 -15.476 1.00 13.09 H new ATOM 0 HE2 LYS A 27 0.888 -13.266 -13.037 1.00 12.80 H new ATOM 0 HE3 LYS A 27 1.003 -15.006 -12.864 1.00 12.80 H new ATOM 0 HZ1 LYS A 27 3.189 -14.154 -13.069 1.00 13.67 H new ATOM 0 HZ2 LYS A 27 2.842 -14.936 -14.536 1.00 13.67 H new ATOM 0 HZ3 LYS A 27 2.797 -13.241 -14.445 1.00 13.67 H new ATOM 439 N ALA A 28 -4.739 -15.332 -17.261 1.00 12.96 N ATOM 440 CA ALA A 28 -5.500 -15.274 -18.503 1.00 13.31 C ATOM 441 C ALA A 28 -6.890 -14.705 -18.243 1.00 12.36 C ATOM 442 O ALA A 28 -7.452 -13.998 -19.083 1.00 12.18 O ATOM 443 CB ALA A 28 -5.592 -16.655 -19.135 1.00 14.55 C ATOM 0 H ALA A 28 -4.537 -16.277 -16.934 1.00 12.96 H new ATOM 0 HA ALA A 28 -4.983 -14.615 -19.200 1.00 13.31 H new ATOM 0 HB1 ALA A 28 -6.163 -16.594 -20.061 1.00 14.55 H new ATOM 0 HB2 ALA A 28 -4.589 -17.024 -19.351 1.00 14.55 H new ATOM 0 HB3 ALA A 28 -6.089 -17.338 -18.446 1.00 14.55 H new ATOM 449 N LYS A 29 -7.433 -15.014 -17.067 1.00 11.88 N ATOM 450 CA LYS A 29 -8.751 -14.523 -16.678 1.00 11.02 C ATOM 451 C LYS A 29 -8.674 -13.028 -16.388 1.00 9.90 C ATOM 452 O LYS A 29 -9.556 -12.261 -16.775 1.00 9.41 O ATOM 453 CB LYS A 29 -9.266 -15.279 -15.449 1.00 10.98 C ATOM 454 CG LYS A 29 -10.600 -14.767 -14.921 1.00 12.12 C ATOM 455 CD LYS A 29 -11.697 -14.863 -15.972 1.00 12.25 C ATOM 456 CE LYS A 29 -13.046 -14.439 -15.413 1.00 13.42 C ATOM 457 NZ LYS A 29 -12.998 -13.075 -14.818 1.00 13.70 N ATOM 0 H LYS A 29 -6.980 -15.602 -16.368 1.00 11.88 H new ATOM 0 HA LYS A 29 -9.449 -14.693 -17.498 1.00 11.02 H new ATOM 0 HB2 LYS A 29 -9.368 -16.335 -15.701 1.00 10.98 H new ATOM 0 HB3 LYS A 29 -8.522 -15.211 -14.655 1.00 10.98 H new ATOM 0 HG2 LYS A 29 -10.888 -15.342 -14.041 1.00 12.12 H new ATOM 0 HG3 LYS A 29 -10.491 -13.730 -14.602 1.00 12.12 H new ATOM 0 HD2 LYS A 29 -11.441 -14.233 -16.824 1.00 12.25 H new ATOM 0 HD3 LYS A 29 -11.761 -15.887 -16.340 1.00 12.25 H new ATOM 0 HE2 LYS A 29 -13.792 -14.462 -16.208 1.00 13.42 H new ATOM 0 HE3 LYS A 29 -13.366 -15.154 -14.655 1.00 13.42 H new ATOM 0 HZ1 LYS A 29 -13.965 -12.749 -14.619 1.00 13.70 H new ATOM 0 HZ2 LYS A 29 -12.452 -13.101 -13.933 1.00 13.70 H new ATOM 0 HZ3 LYS A 29 -12.543 -12.421 -15.486 1.00 13.70 H new ATOM 471 N ILE A 30 -7.609 -12.624 -15.695 1.00 9.57 N ATOM 472 CA ILE A 30 -7.392 -11.221 -15.373 1.00 8.57 C ATOM 473 C ILE A 30 -7.229 -10.417 -16.658 1.00 8.97 C ATOM 474 O ILE A 30 -7.848 -9.371 -16.831 1.00 8.49 O ATOM 475 CB ILE A 30 -6.139 -11.030 -14.489 1.00 8.26 C ATOM 476 CG1 ILE A 30 -6.330 -11.724 -13.136 1.00 8.10 C ATOM 477 CG2 ILE A 30 -5.838 -9.549 -14.291 1.00 7.34 C ATOM 478 CD1 ILE A 30 -5.087 -11.729 -12.272 1.00 8.06 C ATOM 0 H ILE A 30 -6.885 -13.252 -15.347 1.00 9.57 H new ATOM 0 HA ILE A 30 -8.260 -10.868 -14.817 1.00 8.57 H new ATOM 0 HB ILE A 30 -5.289 -11.485 -14.997 1.00 8.26 H new ATOM 0 HG12 ILE A 30 -7.136 -11.229 -12.594 1.00 8.10 H new ATOM 0 HG13 ILE A 30 -6.647 -12.753 -13.307 1.00 8.10 H new ATOM 0 HG21 ILE A 30 -4.952 -9.438 -13.666 1.00 7.34 H new ATOM 0 HG22 ILE A 30 -5.660 -9.081 -15.259 1.00 7.34 H new ATOM 0 HG23 ILE A 30 -6.687 -9.067 -13.806 1.00 7.34 H new ATOM 0 HD11 ILE A 30 -5.300 -12.237 -11.331 1.00 8.06 H new ATOM 0 HD12 ILE A 30 -4.284 -12.251 -12.793 1.00 8.06 H new ATOM 0 HD13 ILE A 30 -4.781 -10.703 -12.069 1.00 8.06 H new ATOM 490 N GLN A 31 -6.386 -10.920 -17.555 1.00 10.07 N ATOM 491 CA GLN A 31 -6.142 -10.271 -18.839 1.00 10.78 C ATOM 492 C GLN A 31 -7.445 -10.130 -19.623 1.00 10.96 C ATOM 493 O GLN A 31 -7.643 -9.161 -20.354 1.00 11.22 O ATOM 494 CB GLN A 31 -5.127 -11.075 -19.656 1.00 12.02 C ATOM 495 CG GLN A 31 -4.901 -10.531 -21.060 1.00 12.96 C ATOM 496 CD GLN A 31 -3.905 -11.350 -21.860 1.00 14.24 C ATOM 497 OE1 GLN A 31 -3.869 -12.656 -21.613 1.00 14.59 O flip ATOM 498 NE2 GLN A 31 -3.177 -10.816 -22.697 1.00 15.04 N flip ATOM 0 H GLN A 31 -5.857 -11.781 -17.415 1.00 10.07 H new ATOM 0 HA GLN A 31 -5.737 -9.277 -18.650 1.00 10.78 H new ATOM 0 HB2 GLN A 31 -4.176 -11.089 -19.124 1.00 12.02 H new ATOM 0 HB3 GLN A 31 -5.468 -12.108 -19.727 1.00 12.02 H new ATOM 0 HG2 GLN A 31 -5.852 -10.506 -21.591 1.00 12.96 H new ATOM 0 HG3 GLN A 31 -4.546 -9.503 -20.992 1.00 12.96 H new ATOM 0 HE21 GLN A 31 -3.236 -9.810 -22.857 1.00 15.04 H new ATOM 0 HE22 GLN A 31 -2.515 -11.379 -23.231 1.00 15.04 H new ATOM 507 N ASP A 32 -8.325 -11.108 -19.459 1.00 10.94 N ATOM 508 CA ASP A 32 -9.612 -11.104 -20.146 1.00 11.14 C ATOM 509 C ASP A 32 -10.480 -9.942 -19.671 1.00 10.25 C ATOM 510 O ASP A 32 -11.252 -9.375 -20.446 1.00 10.60 O ATOM 511 CB ASP A 32 -10.337 -12.434 -19.916 1.00 11.35 C ATOM 512 CG ASP A 32 -11.773 -12.407 -20.407 1.00 11.58 C ATOM 513 OD1 ASP A 32 -11.993 -12.629 -21.616 1.00 12.47 O ATOM 514 OD2 ASP A 32 -12.678 -12.163 -19.581 1.00 10.94 O ATOM 0 H ASP A 32 -8.172 -11.916 -18.856 1.00 10.94 H new ATOM 0 HA ASP A 32 -9.429 -10.979 -21.213 1.00 11.14 H new ATOM 0 HB2 ASP A 32 -9.797 -13.231 -20.427 1.00 11.35 H new ATOM 0 HB3 ASP A 32 -10.325 -12.671 -18.852 1.00 11.35 H new ATOM 519 N LYS A 33 -10.347 -9.593 -18.393 1.00 9.23 N ATOM 520 CA LYS A 33 -11.127 -8.506 -17.812 1.00 8.49 C ATOM 521 C LYS A 33 -10.385 -7.166 -17.871 1.00 8.32 C ATOM 522 O LYS A 33 -10.850 -6.225 -18.517 1.00 8.52 O ATOM 523 CB LYS A 33 -11.494 -8.838 -16.363 1.00 7.63 C ATOM 524 CG LYS A 33 -12.339 -10.095 -16.217 1.00 7.20 C ATOM 525 CD LYS A 33 -13.686 -9.954 -16.912 1.00 6.55 C ATOM 526 CE LYS A 33 -14.551 -11.190 -16.710 1.00 6.99 C ATOM 527 NZ LYS A 33 -15.878 -11.057 -17.374 1.00 6.67 N ATOM 0 H LYS A 33 -9.707 -10.048 -17.742 1.00 9.23 H new ATOM 0 HA LYS A 33 -12.035 -8.404 -18.406 1.00 8.49 H new ATOM 0 HB2 LYS A 33 -10.578 -8.958 -15.784 1.00 7.63 H new ATOM 0 HB3 LYS A 33 -12.035 -7.995 -15.933 1.00 7.63 H new ATOM 0 HG2 LYS A 33 -11.801 -10.945 -16.636 1.00 7.20 H new ATOM 0 HG3 LYS A 33 -12.496 -10.307 -15.159 1.00 7.20 H new ATOM 0 HD2 LYS A 33 -14.206 -9.078 -16.525 1.00 6.55 H new ATOM 0 HD3 LYS A 33 -13.531 -9.788 -17.978 1.00 6.55 H new ATOM 0 HE2 LYS A 33 -14.033 -12.064 -17.106 1.00 6.99 H new ATOM 0 HE3 LYS A 33 -14.695 -11.361 -15.643 1.00 6.99 H new ATOM 0 HZ1 LYS A 33 -16.435 -11.920 -17.212 1.00 6.67 H new ATOM 0 HZ2 LYS A 33 -16.384 -10.239 -16.978 1.00 6.67 H new ATOM 0 HZ3 LYS A 33 -15.743 -10.919 -18.396 1.00 6.67 H new ATOM 541 N GLU A 34 -9.231 -7.081 -17.203 1.00 8.14 N ATOM 542 CA GLU A 34 -8.449 -5.842 -17.158 1.00 8.06 C ATOM 543 C GLU A 34 -7.628 -5.592 -18.429 1.00 9.21 C ATOM 544 O GLU A 34 -7.132 -4.482 -18.633 1.00 9.60 O ATOM 545 CB GLU A 34 -7.514 -5.862 -15.945 1.00 7.25 C ATOM 546 CG GLU A 34 -8.237 -5.745 -14.610 1.00 6.20 C ATOM 547 CD GLU A 34 -9.272 -6.836 -14.403 1.00 6.09 C ATOM 548 OE1 GLU A 34 -8.874 -7.990 -14.139 1.00 6.14 O ATOM 549 OE2 GLU A 34 -10.480 -6.536 -14.509 1.00 6.20 O ATOM 0 H GLU A 34 -8.817 -7.856 -16.685 1.00 8.14 H new ATOM 0 HA GLU A 34 -9.167 -5.026 -17.079 1.00 8.06 H new ATOM 0 HB2 GLU A 34 -6.939 -6.788 -15.956 1.00 7.25 H new ATOM 0 HB3 GLU A 34 -6.801 -5.043 -16.034 1.00 7.25 H new ATOM 0 HG2 GLU A 34 -7.507 -5.786 -13.802 1.00 6.20 H new ATOM 0 HG3 GLU A 34 -8.725 -4.772 -14.550 1.00 6.20 H new ATOM 556 N GLY A 35 -7.483 -6.604 -19.277 1.00 9.92 N ATOM 557 CA GLY A 35 -6.711 -6.434 -20.505 1.00 11.11 C ATOM 558 C GLY A 35 -5.211 -6.316 -20.278 1.00 11.26 C ATOM 559 O GLY A 35 -4.482 -5.889 -21.174 1.00 12.20 O ATOM 0 H GLY A 35 -7.881 -7.534 -19.143 1.00 9.92 H new ATOM 0 HA2 GLY A 35 -6.903 -7.281 -21.164 1.00 11.11 H new ATOM 0 HA3 GLY A 35 -7.062 -5.541 -21.023 1.00 11.11 H new ATOM 563 N ILE A 36 -4.742 -6.694 -19.089 1.00 10.40 N ATOM 564 CA ILE A 36 -3.314 -6.622 -18.772 1.00 10.49 C ATOM 565 C ILE A 36 -2.607 -7.930 -19.134 1.00 11.27 C ATOM 566 O ILE A 36 -2.995 -8.998 -18.660 1.00 11.07 O ATOM 567 CB ILE A 36 -3.083 -6.312 -17.276 1.00 9.23 C ATOM 568 CG1 ILE A 36 -3.650 -4.930 -16.930 1.00 8.55 C ATOM 569 CG2 ILE A 36 -1.597 -6.387 -16.938 1.00 9.38 C ATOM 570 CD1 ILE A 36 -3.447 -4.528 -15.485 1.00 7.28 C ATOM 0 H ILE A 36 -5.325 -7.051 -18.333 1.00 10.40 H new ATOM 0 HA ILE A 36 -2.894 -5.810 -19.367 1.00 10.49 H new ATOM 0 HB ILE A 36 -3.605 -7.059 -16.678 1.00 9.23 H new ATOM 0 HG12 ILE A 36 -3.182 -4.185 -17.573 1.00 8.55 H new ATOM 0 HG13 ILE A 36 -4.717 -4.919 -17.153 1.00 8.55 H new ATOM 0 HG21 ILE A 36 -1.453 -6.166 -15.880 1.00 9.38 H new ATOM 0 HG22 ILE A 36 -1.225 -7.389 -17.153 1.00 9.38 H new ATOM 0 HG23 ILE A 36 -1.050 -5.660 -17.538 1.00 9.38 H new ATOM 0 HD11 ILE A 36 -3.875 -3.539 -15.319 1.00 7.28 H new ATOM 0 HD12 ILE A 36 -3.939 -5.250 -14.834 1.00 7.28 H new ATOM 0 HD13 ILE A 36 -2.381 -4.504 -15.260 1.00 7.28 H new ATOM 582 N PRO A 37 -1.562 -7.864 -19.983 1.00 12.32 N ATOM 583 CA PRO A 37 -0.804 -9.052 -20.405 1.00 13.26 C ATOM 584 C PRO A 37 -0.224 -9.824 -19.218 1.00 12.81 C ATOM 585 O PRO A 37 0.275 -9.222 -18.266 1.00 12.09 O ATOM 586 CB PRO A 37 0.326 -8.474 -21.264 1.00 14.23 C ATOM 587 CG PRO A 37 -0.182 -7.153 -21.722 1.00 14.14 C ATOM 588 CD PRO A 37 -1.037 -6.633 -20.602 1.00 12.79 C ATOM 0 HA PRO A 37 -1.436 -9.767 -20.933 1.00 13.26 H new ATOM 0 HB2 PRO A 37 1.245 -8.366 -20.688 1.00 14.23 H new ATOM 0 HB3 PRO A 37 0.553 -9.125 -22.108 1.00 14.23 H new ATOM 0 HG2 PRO A 37 0.640 -6.470 -21.935 1.00 14.14 H new ATOM 0 HG3 PRO A 37 -0.760 -7.253 -22.641 1.00 14.14 H new ATOM 0 HD2 PRO A 37 -0.457 -6.041 -19.894 1.00 12.79 H new ATOM 0 HD3 PRO A 37 -1.839 -5.993 -20.971 1.00 12.79 H new ATOM 596 N PRO A 38 -0.282 -11.171 -19.259 1.00 13.33 N ATOM 597 CA PRO A 38 0.249 -12.017 -18.183 1.00 13.21 C ATOM 598 C PRO A 38 1.749 -11.821 -17.984 1.00 13.55 C ATOM 599 O PRO A 38 2.264 -11.968 -16.876 1.00 13.14 O ATOM 600 CB PRO A 38 -0.039 -13.446 -18.661 1.00 14.22 C ATOM 601 CG PRO A 38 -1.097 -13.306 -19.700 1.00 14.34 C ATOM 602 CD PRO A 38 -0.868 -11.971 -20.347 1.00 14.21 C ATOM 0 HA PRO A 38 -0.207 -11.779 -17.222 1.00 13.21 H new ATOM 0 HB2 PRO A 38 0.857 -13.912 -19.072 1.00 14.22 H new ATOM 0 HB3 PRO A 38 -0.377 -14.076 -17.838 1.00 14.22 H new ATOM 0 HG2 PRO A 38 -1.033 -14.111 -20.433 1.00 14.34 H new ATOM 0 HG3 PRO A 38 -2.090 -13.358 -19.255 1.00 14.34 H new ATOM 0 HD2 PRO A 38 -0.194 -12.047 -21.200 1.00 14.21 H new ATOM 0 HD3 PRO A 38 -1.798 -11.535 -20.713 1.00 14.21 H new ATOM 610 N ASP A 39 2.439 -11.488 -19.073 1.00 14.37 N ATOM 611 CA ASP A 39 3.883 -11.271 -19.039 1.00 14.81 C ATOM 612 C ASP A 39 4.236 -10.059 -18.180 1.00 13.75 C ATOM 613 O ASP A 39 5.369 -9.928 -17.714 1.00 13.74 O ATOM 614 CB ASP A 39 4.420 -11.077 -20.459 1.00 15.96 C ATOM 615 CG ASP A 39 3.963 -12.176 -21.403 1.00 16.45 C ATOM 616 OD1 ASP A 39 2.864 -12.043 -21.983 1.00 16.96 O ATOM 617 OD2 ASP A 39 4.702 -13.171 -21.557 1.00 16.42 O ATOM 0 H ASP A 39 2.018 -11.362 -19.994 1.00 14.37 H new ATOM 0 HA ASP A 39 4.347 -12.152 -18.596 1.00 14.81 H new ATOM 0 HB2 ASP A 39 4.089 -10.112 -20.842 1.00 15.96 H new ATOM 0 HB3 ASP A 39 5.509 -11.053 -20.433 1.00 15.96 H new ATOM 622 N GLN A 40 3.258 -9.179 -17.972 1.00 12.90 N ATOM 623 CA GLN A 40 3.462 -7.976 -17.169 1.00 11.90 C ATOM 624 C GLN A 40 3.059 -8.218 -15.716 1.00 10.64 C ATOM 625 O GLN A 40 3.679 -7.684 -14.794 1.00 9.67 O ATOM 626 CB GLN A 40 2.661 -6.807 -17.750 1.00 11.91 C ATOM 627 CG GLN A 40 2.846 -5.504 -16.985 1.00 13.23 C ATOM 628 CD GLN A 40 2.226 -4.318 -17.697 1.00 13.45 C ATOM 629 OE1 GLN A 40 1.054 -3.998 -17.494 1.00 14.45 O ATOM 630 NE2 GLN A 40 3.013 -3.655 -18.537 1.00 12.63 N ATOM 0 H GLN A 40 2.315 -9.277 -18.349 1.00 12.90 H new ATOM 0 HA GLN A 40 4.523 -7.726 -17.195 1.00 11.90 H new ATOM 0 HB2 GLN A 40 2.957 -6.655 -18.788 1.00 11.91 H new ATOM 0 HB3 GLN A 40 1.603 -7.069 -17.755 1.00 11.91 H new ATOM 0 HG2 GLN A 40 2.401 -5.602 -15.995 1.00 13.23 H new ATOM 0 HG3 GLN A 40 3.910 -5.320 -16.840 1.00 13.23 H new ATOM 0 HE21 GLN A 40 3.978 -3.954 -18.675 1.00 12.63 H new ATOM 0 HE22 GLN A 40 2.652 -2.847 -19.044 1.00 12.63 H new ATOM 639 N GLN A 41 2.018 -9.028 -15.519 1.00 10.76 N ATOM 640 CA GLN A 41 1.528 -9.344 -14.176 1.00 9.79 C ATOM 641 C GLN A 41 2.611 -10.046 -13.350 1.00 9.92 C ATOM 642 O GLN A 41 3.419 -10.802 -13.893 1.00 10.91 O ATOM 643 CB GLN A 41 0.282 -10.231 -14.261 1.00 9.99 C ATOM 644 CG GLN A 41 -0.884 -9.587 -14.996 1.00 9.70 C ATOM 645 CD GLN A 41 -2.129 -10.455 -14.995 1.00 9.80 C ATOM 646 OE1 GLN A 41 -2.368 -11.220 -14.060 1.00 9.65 O ATOM 647 NE2 GLN A 41 -2.930 -10.342 -16.048 1.00 10.21 N ATOM 0 H GLN A 41 1.498 -9.477 -16.272 1.00 10.76 H new ATOM 0 HA GLN A 41 1.268 -8.408 -13.682 1.00 9.79 H new ATOM 0 HB2 GLN A 41 0.545 -11.163 -14.762 1.00 9.99 H new ATOM 0 HB3 GLN A 41 -0.037 -10.491 -13.252 1.00 9.99 H new ATOM 0 HG2 GLN A 41 -1.115 -8.628 -14.533 1.00 9.70 H new ATOM 0 HG3 GLN A 41 -0.590 -9.382 -16.025 1.00 9.70 H new ATOM 0 HE21 GLN A 41 -2.694 -9.696 -16.801 1.00 10.21 H new ATOM 0 HE22 GLN A 41 -3.781 -10.902 -16.104 1.00 10.21 H new ATOM 656 N ARG A 42 2.625 -9.790 -12.037 1.00 9.04 N ATOM 657 CA ARG A 42 3.612 -10.405 -11.145 1.00 9.21 C ATOM 658 C ARG A 42 2.993 -10.754 -9.785 1.00 8.55 C ATOM 659 O ARG A 42 3.633 -10.609 -8.743 1.00 7.55 O ATOM 660 CB ARG A 42 4.819 -9.476 -10.951 1.00 8.92 C ATOM 661 CG ARG A 42 6.163 -10.193 -10.993 1.00 9.32 C ATOM 662 CD ARG A 42 6.474 -10.733 -12.382 1.00 8.97 C ATOM 663 NE ARG A 42 6.424 -9.685 -13.401 1.00 9.07 N ATOM 664 CZ ARG A 42 6.942 -9.814 -14.619 1.00 8.61 C ATOM 665 NH1 ARG A 42 7.566 -10.932 -14.964 1.00 8.06 N ATOM 666 NH2 ARG A 42 6.841 -8.818 -15.491 1.00 8.89 N ATOM 0 H ARG A 42 1.967 -9.165 -11.571 1.00 9.04 H new ATOM 0 HA ARG A 42 3.949 -11.330 -11.614 1.00 9.21 H new ATOM 0 HB2 ARG A 42 4.803 -8.709 -11.725 1.00 8.92 H new ATOM 0 HB3 ARG A 42 4.721 -8.964 -9.994 1.00 8.92 H new ATOM 0 HG2 ARG A 42 6.951 -9.506 -10.686 1.00 9.32 H new ATOM 0 HG3 ARG A 42 6.159 -11.014 -10.276 1.00 9.32 H new ATOM 0 HD2 ARG A 42 7.464 -11.190 -12.380 1.00 8.97 H new ATOM 0 HD3 ARG A 42 5.761 -11.518 -12.634 1.00 8.97 H new ATOM 0 HE ARG A 42 5.966 -8.805 -13.164 1.00 9.07 H new ATOM 0 HH11 ARG A 42 7.650 -11.697 -14.294 1.00 8.06 H new ATOM 0 HH12 ARG A 42 7.962 -11.027 -15.899 1.00 8.06 H new ATOM 0 HH21 ARG A 42 6.366 -7.955 -15.226 1.00 8.89 H new ATOM 0 HH22 ARG A 42 7.238 -8.916 -16.425 1.00 8.89 H new ATOM 680 N LEU A 43 1.742 -11.212 -9.824 1.00 9.27 N ATOM 681 CA LEU A 43 0.981 -11.607 -8.629 1.00 9.04 C ATOM 682 C LEU A 43 1.861 -11.932 -7.417 1.00 9.51 C ATOM 683 O LEU A 43 2.785 -12.745 -7.498 1.00 10.56 O ATOM 684 CB LEU A 43 0.099 -12.816 -8.955 1.00 9.79 C ATOM 685 CG LEU A 43 -1.014 -12.557 -9.977 1.00 9.27 C ATOM 686 CD1 LEU A 43 -1.599 -13.872 -10.474 1.00 10.24 C ATOM 687 CD2 LEU A 43 -2.104 -11.685 -9.368 1.00 8.15 C ATOM 0 H LEU A 43 1.219 -11.322 -10.693 1.00 9.27 H new ATOM 0 HA LEU A 43 0.374 -10.745 -8.353 1.00 9.04 H new ATOM 0 HB2 LEU A 43 0.735 -13.618 -9.330 1.00 9.79 H new ATOM 0 HB3 LEU A 43 -0.355 -13.174 -8.031 1.00 9.79 H new ATOM 0 HG LEU A 43 -0.584 -12.028 -10.828 1.00 9.27 H new ATOM 0 HD11 LEU A 43 -2.388 -13.669 -11.199 1.00 10.24 H new ATOM 0 HD12 LEU A 43 -0.815 -14.463 -10.947 1.00 10.24 H new ATOM 0 HD13 LEU A 43 -2.014 -14.427 -9.632 1.00 10.24 H new ATOM 0 HD21 LEU A 43 -2.886 -11.511 -10.107 1.00 8.15 H new ATOM 0 HD22 LEU A 43 -2.530 -12.188 -8.500 1.00 8.15 H new ATOM 0 HD23 LEU A 43 -1.677 -10.731 -9.060 1.00 8.15 H new ATOM 699 N ILE A 44 1.543 -11.285 -6.295 1.00 8.83 N ATOM 700 CA ILE A 44 2.255 -11.487 -5.033 1.00 9.35 C ATOM 701 C ILE A 44 1.314 -12.108 -4.004 1.00 9.75 C ATOM 702 O ILE A 44 0.161 -11.693 -3.882 1.00 9.11 O ATOM 703 CB ILE A 44 2.801 -10.153 -4.474 1.00 8.53 C ATOM 704 CG1 ILE A 44 3.581 -9.392 -5.553 1.00 8.20 C ATOM 705 CG2 ILE A 44 3.677 -10.401 -3.251 1.00 9.24 C ATOM 706 CD1 ILE A 44 4.879 -10.055 -5.958 1.00 9.33 C ATOM 0 H ILE A 44 0.784 -10.606 -6.236 1.00 8.83 H new ATOM 0 HA ILE A 44 3.096 -12.153 -5.227 1.00 9.35 H new ATOM 0 HB ILE A 44 1.954 -9.539 -4.169 1.00 8.53 H new ATOM 0 HG12 ILE A 44 2.950 -9.284 -6.435 1.00 8.20 H new ATOM 0 HG13 ILE A 44 3.796 -8.387 -5.190 1.00 8.20 H new ATOM 0 HG21 ILE A 44 4.051 -9.450 -2.873 1.00 9.24 H new ATOM 0 HG22 ILE A 44 3.089 -10.894 -2.476 1.00 9.24 H new ATOM 0 HG23 ILE A 44 4.517 -11.037 -3.528 1.00 9.24 H new ATOM 0 HD11 ILE A 44 5.370 -9.455 -6.724 1.00 9.33 H new ATOM 0 HD12 ILE A 44 5.532 -10.139 -5.089 1.00 9.33 H new ATOM 0 HD13 ILE A 44 4.672 -11.050 -6.353 1.00 9.33 H new ATOM 718 N PHE A 45 1.804 -13.103 -3.266 1.00 10.94 N ATOM 719 CA PHE A 45 0.991 -13.776 -2.253 1.00 11.61 C ATOM 720 C PHE A 45 1.797 -14.046 -0.986 1.00 12.55 C ATOM 721 O PHE A 45 2.842 -14.686 -1.030 1.00 13.34 O ATOM 722 CB PHE A 45 0.435 -15.092 -2.801 1.00 12.32 C ATOM 723 CG PHE A 45 -0.266 -15.924 -1.762 1.00 13.14 C ATOM 724 CD1 PHE A 45 -1.563 -15.626 -1.375 1.00 12.72 C ATOM 725 CD2 PHE A 45 0.375 -17.001 -1.171 1.00 14.44 C ATOM 726 CE1 PHE A 45 -2.208 -16.388 -0.419 1.00 13.62 C ATOM 727 CE2 PHE A 45 -0.264 -17.766 -0.213 1.00 15.27 C ATOM 728 CZ PHE A 45 -1.558 -17.459 0.163 1.00 14.88 C ATOM 0 H PHE A 45 2.756 -13.460 -3.349 1.00 10.94 H new ATOM 0 HA PHE A 45 0.163 -13.113 -2.000 1.00 11.61 H new ATOM 0 HB2 PHE A 45 -0.261 -14.874 -3.611 1.00 12.32 H new ATOM 0 HB3 PHE A 45 1.252 -15.672 -3.230 1.00 12.32 H new ATOM 0 HD1 PHE A 45 -2.076 -14.789 -1.825 1.00 12.72 H new ATOM 0 HD2 PHE A 45 1.386 -17.246 -1.462 1.00 14.44 H new ATOM 0 HE1 PHE A 45 -3.219 -16.146 -0.127 1.00 13.62 H new ATOM 0 HE2 PHE A 45 0.247 -18.602 0.241 1.00 15.27 H new ATOM 0 HZ PHE A 45 -2.060 -18.055 0.910 1.00 14.88 H new ATOM 738 N ALA A 46 1.300 -13.551 0.144 1.00 12.55 N ATOM 739 CA ALA A 46 1.958 -13.747 1.435 1.00 13.48 C ATOM 740 C ALA A 46 3.435 -13.349 1.407 1.00 13.42 C ATOM 741 O ALA A 46 4.188 -13.680 2.324 1.00 14.38 O ATOM 742 CB ALA A 46 1.810 -15.196 1.882 1.00 14.76 C ATOM 0 H ALA A 46 0.438 -13.008 0.193 1.00 12.55 H new ATOM 0 HA ALA A 46 1.465 -13.090 2.152 1.00 13.48 H new ATOM 0 HB1 ALA A 46 2.303 -15.332 2.844 1.00 14.76 H new ATOM 0 HB2 ALA A 46 0.752 -15.441 1.979 1.00 14.76 H new ATOM 0 HB3 ALA A 46 2.268 -15.853 1.143 1.00 14.76 H new ATOM 748 N GLY A 47 3.847 -12.638 0.359 1.00 12.34 N ATOM 749 CA GLY A 47 5.230 -12.209 0.248 1.00 12.25 C ATOM 750 C GLY A 47 5.990 -12.920 -0.859 1.00 12.73 C ATOM 751 O GLY A 47 6.920 -12.353 -1.440 1.00 12.99 O ATOM 0 H GLY A 47 3.247 -12.352 -0.415 1.00 12.34 H new ATOM 0 HA2 GLY A 47 5.257 -11.135 0.066 1.00 12.25 H new ATOM 0 HA3 GLY A 47 5.735 -12.384 1.198 1.00 12.25 H new ATOM 755 N LYS A 48 5.599 -14.161 -1.161 1.00 12.95 N ATOM 756 CA LYS A 48 6.266 -14.940 -2.204 1.00 13.60 C ATOM 757 C LYS A 48 5.962 -14.373 -3.591 1.00 12.95 C ATOM 758 O LYS A 48 5.651 -13.192 -3.733 1.00 12.25 O ATOM 759 CB LYS A 48 5.858 -16.421 -2.118 1.00 14.88 C ATOM 760 CG LYS A 48 4.477 -16.733 -2.687 1.00 15.77 C ATOM 761 CD LYS A 48 4.067 -18.175 -2.424 1.00 16.95 C ATOM 762 CE LYS A 48 3.997 -18.481 -0.935 1.00 16.96 C ATOM 763 NZ LYS A 48 3.376 -19.809 -0.670 1.00 17.08 N ATOM 0 H LYS A 48 4.828 -14.645 -0.700 1.00 12.95 H new ATOM 0 HA LYS A 48 7.342 -14.871 -2.042 1.00 13.60 H new ATOM 0 HB2 LYS A 48 6.599 -17.020 -2.648 1.00 14.88 H new ATOM 0 HB3 LYS A 48 5.885 -16.732 -1.074 1.00 14.88 H new ATOM 0 HG2 LYS A 48 3.742 -16.060 -2.245 1.00 15.77 H new ATOM 0 HG3 LYS A 48 4.476 -16.545 -3.761 1.00 15.77 H new ATOM 0 HD2 LYS A 48 3.095 -18.365 -2.880 1.00 16.95 H new ATOM 0 HD3 LYS A 48 4.780 -18.848 -2.900 1.00 16.95 H new ATOM 0 HE2 LYS A 48 5.001 -18.459 -0.512 1.00 16.96 H new ATOM 0 HE3 LYS A 48 3.422 -17.704 -0.431 1.00 16.96 H new ATOM 0 HZ1 LYS A 48 3.469 -20.040 0.340 1.00 17.08 H new ATOM 0 HZ2 LYS A 48 2.369 -19.779 -0.927 1.00 17.08 H new ATOM 0 HZ3 LYS A 48 3.857 -20.536 -1.237 1.00 17.08 H new ATOM 777 N GLN A 49 6.036 -15.229 -4.606 1.00 13.28 N ATOM 778 CA GLN A 49 5.782 -14.826 -5.986 1.00 12.91 C ATOM 779 C GLN A 49 5.183 -16.005 -6.743 1.00 13.82 C ATOM 780 O GLN A 49 5.878 -16.976 -7.046 1.00 14.97 O ATOM 781 CB GLN A 49 7.073 -14.353 -6.660 1.00 13.03 C ATOM 782 CG GLN A 49 6.883 -13.921 -8.107 1.00 12.43 C ATOM 783 CD GLN A 49 8.135 -13.303 -8.705 1.00 12.64 C ATOM 784 OE1 GLN A 49 8.330 -12.089 -8.647 1.00 12.65 O ATOM 785 NE2 GLN A 49 8.991 -14.139 -9.282 1.00 12.96 N ATOM 0 H GLN A 49 6.272 -16.215 -4.497 1.00 13.28 H new ATOM 0 HA GLN A 49 5.080 -13.992 -5.995 1.00 12.91 H new ATOM 0 HB2 GLN A 49 7.485 -13.519 -6.092 1.00 13.03 H new ATOM 0 HB3 GLN A 49 7.808 -15.157 -6.623 1.00 13.03 H new ATOM 0 HG2 GLN A 49 6.589 -14.784 -8.704 1.00 12.43 H new ATOM 0 HG3 GLN A 49 6.066 -13.202 -8.163 1.00 12.43 H new ATOM 0 HE21 GLN A 49 8.789 -15.139 -9.307 1.00 12.96 H new ATOM 0 HE22 GLN A 49 9.850 -13.781 -9.700 1.00 12.96 H new ATOM 794 N LEU A 50 3.890 -15.918 -7.044 1.00 13.33 N ATOM 795 CA LEU A 50 3.179 -16.991 -7.730 1.00 14.13 C ATOM 796 C LEU A 50 3.798 -17.345 -9.079 1.00 14.81 C ATOM 797 O LEU A 50 4.010 -16.480 -9.930 1.00 14.27 O ATOM 798 CB LEU A 50 1.711 -16.596 -7.916 1.00 13.38 C ATOM 799 CG LEU A 50 0.961 -16.250 -6.624 1.00 12.72 C ATOM 800 CD1 LEU A 50 -0.518 -16.022 -6.909 1.00 12.09 C ATOM 801 CD2 LEU A 50 1.143 -17.349 -5.586 1.00 13.76 C ATOM 0 H LEU A 50 3.310 -15.109 -6.821 1.00 13.33 H new ATOM 0 HA LEU A 50 3.255 -17.881 -7.105 1.00 14.13 H new ATOM 0 HB2 LEU A 50 1.664 -15.737 -8.586 1.00 13.38 H new ATOM 0 HB3 LEU A 50 1.190 -17.416 -8.411 1.00 13.38 H new ATOM 0 HG LEU A 50 1.380 -15.328 -6.222 1.00 12.72 H new ATOM 0 HD11 LEU A 50 -1.034 -15.778 -5.980 1.00 12.09 H new ATOM 0 HD12 LEU A 50 -0.630 -15.198 -7.614 1.00 12.09 H new ATOM 0 HD13 LEU A 50 -0.950 -16.927 -7.337 1.00 12.09 H new ATOM 0 HD21 LEU A 50 0.603 -17.084 -4.677 1.00 13.76 H new ATOM 0 HD22 LEU A 50 0.754 -18.288 -5.979 1.00 13.76 H new ATOM 0 HD23 LEU A 50 2.203 -17.463 -5.358 1.00 13.76 H new ATOM 813 N GLU A 51 4.083 -18.634 -9.256 1.00 16.07 N ATOM 814 CA GLU A 51 4.665 -19.143 -10.495 1.00 16.92 C ATOM 815 C GLU A 51 3.571 -19.609 -11.455 1.00 17.12 C ATOM 816 O GLU A 51 2.746 -20.456 -11.108 1.00 17.35 O ATOM 817 CB GLU A 51 5.624 -20.297 -10.186 1.00 18.22 C ATOM 818 CG GLU A 51 6.622 -20.585 -11.297 1.00 19.07 C ATOM 819 CD GLU A 51 5.967 -21.126 -12.554 1.00 20.22 C ATOM 820 OE1 GLU A 51 5.546 -22.302 -12.545 1.00 21.00 O ATOM 821 OE2 GLU A 51 5.876 -20.373 -13.548 1.00 20.40 O ATOM 0 H GLU A 51 3.918 -19.350 -8.549 1.00 16.07 H new ATOM 0 HA GLU A 51 5.220 -18.337 -10.974 1.00 16.92 H new ATOM 0 HB2 GLU A 51 6.170 -20.067 -9.271 1.00 18.22 H new ATOM 0 HB3 GLU A 51 5.042 -21.198 -9.992 1.00 18.22 H new ATOM 0 HG2 GLU A 51 7.162 -19.670 -11.540 1.00 19.07 H new ATOM 0 HG3 GLU A 51 7.359 -21.304 -10.939 1.00 19.07 H new ATOM 828 N ASP A 52 3.578 -19.039 -12.661 1.00 17.11 N ATOM 829 CA ASP A 52 2.599 -19.370 -13.699 1.00 17.32 C ATOM 830 C ASP A 52 2.189 -20.843 -13.657 1.00 18.50 C ATOM 831 O ASP A 52 1.017 -21.160 -13.448 1.00 18.49 O ATOM 832 CB ASP A 52 3.162 -19.017 -15.076 1.00 17.56 C ATOM 833 CG ASP A 52 3.416 -17.529 -15.227 1.00 16.47 C ATOM 834 OD1 ASP A 52 4.530 -17.079 -14.885 1.00 16.20 O ATOM 835 OD2 ASP A 52 2.498 -16.813 -15.679 1.00 15.96 O ATOM 0 H ASP A 52 4.260 -18.337 -12.946 1.00 17.11 H new ATOM 0 HA ASP A 52 1.703 -18.780 -13.507 1.00 17.32 H new ATOM 0 HB2 ASP A 52 4.093 -19.561 -15.236 1.00 17.56 H new ATOM 0 HB3 ASP A 52 2.464 -19.345 -15.847 1.00 17.56 H new ATOM 840 N GLY A 53 3.156 -21.737 -13.854 1.00 19.52 N ATOM 841 CA GLY A 53 2.871 -23.165 -13.833 1.00 20.72 C ATOM 842 C GLY A 53 2.039 -23.575 -12.629 1.00 20.81 C ATOM 843 O GLY A 53 0.860 -23.901 -12.769 1.00 21.79 O ATOM 0 H GLY A 53 4.132 -21.499 -14.028 1.00 19.52 H new ATOM 0 HA2 GLY A 53 2.343 -23.440 -14.746 1.00 20.72 H new ATOM 0 HA3 GLY A 53 3.809 -23.719 -13.828 1.00 20.72 H new ATOM 847 N ARG A 54 2.677 -23.592 -11.457 1.00 19.86 N ATOM 848 CA ARG A 54 2.020 -23.947 -10.192 1.00 20.02 C ATOM 849 C ARG A 54 0.558 -23.500 -10.121 1.00 19.36 C ATOM 850 O ARG A 54 0.115 -22.639 -10.879 1.00 18.53 O ATOM 851 CB ARG A 54 2.800 -23.353 -9.015 1.00 19.57 C ATOM 852 CG ARG A 54 4.221 -23.885 -8.895 1.00 20.34 C ATOM 853 CD ARG A 54 4.240 -25.377 -8.599 1.00 21.73 C ATOM 854 NE ARG A 54 5.602 -25.899 -8.513 1.00 22.50 N ATOM 855 CZ ARG A 54 5.910 -27.073 -7.972 1.00 23.45 C ATOM 856 NH1 ARG A 54 4.959 -27.837 -7.448 1.00 23.75 N ATOM 857 NH2 ARG A 54 7.172 -27.483 -7.949 1.00 24.16 N ATOM 0 H ARG A 54 3.665 -23.360 -11.355 1.00 19.86 H new ATOM 0 HA ARG A 54 2.019 -25.036 -10.137 1.00 20.02 H new ATOM 0 HB2 ARG A 54 2.835 -22.269 -9.123 1.00 19.57 H new ATOM 0 HB3 ARG A 54 2.263 -23.564 -8.090 1.00 19.57 H new ATOM 0 HG2 ARG A 54 4.762 -23.691 -9.821 1.00 20.34 H new ATOM 0 HG3 ARG A 54 4.744 -23.350 -8.102 1.00 20.34 H new ATOM 0 HD2 ARG A 54 3.719 -25.567 -7.661 1.00 21.73 H new ATOM 0 HD3 ARG A 54 3.696 -25.909 -9.380 1.00 21.73 H new ATOM 0 HE ARG A 54 6.360 -25.330 -8.890 1.00 22.50 H new ATOM 0 HH11 ARG A 54 3.988 -27.523 -7.460 1.00 23.75 H new ATOM 0 HH12 ARG A 54 5.199 -28.738 -7.034 1.00 23.75 H new ATOM 0 HH21 ARG A 54 7.906 -26.897 -8.347 1.00 24.16 H new ATOM 0 HH22 ARG A 54 7.408 -28.384 -7.534 1.00 24.16 H new ATOM 871 N THR A 55 -0.171 -24.089 -9.171 1.00 19.79 N ATOM 872 CA THR A 55 -1.591 -23.794 -8.975 1.00 19.31 C ATOM 873 C THR A 55 -1.838 -23.132 -7.620 1.00 18.56 C ATOM 874 O THR A 55 -0.972 -23.141 -6.746 1.00 18.57 O ATOM 875 CB THR A 55 -2.443 -25.078 -9.086 1.00 20.43 C ATOM 876 OG1 THR A 55 -3.834 -24.768 -8.949 1.00 21.36 O ATOM 877 CG2 THR A 55 -2.042 -26.095 -8.026 1.00 21.11 C ATOM 0 H THR A 55 0.203 -24.779 -8.520 1.00 19.79 H new ATOM 0 HA THR A 55 -1.888 -23.101 -9.762 1.00 19.31 H new ATOM 0 HB THR A 55 -2.264 -25.511 -10.070 1.00 20.43 H new ATOM 0 HG1 THR A 55 -4.100 -24.864 -8.011 1.00 21.36 H new ATOM 0 HG21 THR A 55 -2.658 -26.989 -8.128 1.00 21.11 H new ATOM 0 HG22 THR A 55 -0.993 -26.361 -8.155 1.00 21.11 H new ATOM 0 HG23 THR A 55 -2.188 -25.665 -7.035 1.00 21.11 H new ATOM 885 N LEU A 56 -3.024 -22.550 -7.460 1.00 17.96 N ATOM 886 CA LEU A 56 -3.396 -21.881 -6.217 1.00 17.35 C ATOM 887 C LEU A 56 -3.263 -22.818 -5.016 1.00 18.41 C ATOM 888 O LEU A 56 -2.834 -22.402 -3.939 1.00 18.24 O ATOM 889 CB LEU A 56 -4.829 -21.349 -6.314 1.00 16.66 C ATOM 890 CG LEU A 56 -5.078 -20.316 -7.420 1.00 15.55 C ATOM 891 CD1 LEU A 56 -6.538 -19.887 -7.430 1.00 14.99 C ATOM 892 CD2 LEU A 56 -4.166 -19.107 -7.246 1.00 14.57 C ATOM 0 H LEU A 56 -3.747 -22.529 -8.180 1.00 17.96 H new ATOM 0 HA LEU A 56 -2.711 -21.046 -6.068 1.00 17.35 H new ATOM 0 HB2 LEU A 56 -5.501 -22.193 -6.471 1.00 16.66 H new ATOM 0 HB3 LEU A 56 -5.097 -20.902 -5.357 1.00 16.66 H new ATOM 0 HG LEU A 56 -4.848 -20.781 -8.379 1.00 15.55 H new ATOM 0 HD11 LEU A 56 -6.696 -19.154 -8.221 1.00 14.99 H new ATOM 0 HD12 LEU A 56 -7.171 -20.756 -7.608 1.00 14.99 H new ATOM 0 HD13 LEU A 56 -6.793 -19.443 -6.468 1.00 14.99 H new ATOM 0 HD21 LEU A 56 -4.360 -18.387 -8.041 1.00 14.57 H new ATOM 0 HD22 LEU A 56 -4.360 -18.641 -6.280 1.00 14.57 H new ATOM 0 HD23 LEU A 56 -3.125 -19.427 -7.292 1.00 14.57 H new ATOM 904 N SER A 57 -3.627 -24.085 -5.210 1.00 19.54 N ATOM 905 CA SER A 57 -3.552 -25.084 -4.144 1.00 20.67 C ATOM 906 C SER A 57 -2.108 -25.320 -3.702 1.00 21.10 C ATOM 907 O SER A 57 -1.856 -25.709 -2.562 1.00 21.74 O ATOM 908 CB SER A 57 -4.174 -26.402 -4.615 1.00 21.76 C ATOM 909 OG SER A 57 -4.158 -27.373 -3.583 1.00 21.61 O ATOM 0 H SER A 57 -3.978 -24.445 -6.098 1.00 19.54 H new ATOM 0 HA SER A 57 -4.110 -24.704 -3.288 1.00 20.67 H new ATOM 0 HB2 SER A 57 -5.200 -26.228 -4.938 1.00 21.76 H new ATOM 0 HB3 SER A 57 -3.627 -26.777 -5.480 1.00 21.76 H new ATOM 0 HG SER A 57 -4.562 -28.204 -3.909 1.00 21.61 H new ATOM 915 N ASP A 58 -1.165 -25.079 -4.611 1.00 20.79 N ATOM 916 CA ASP A 58 0.254 -25.267 -4.318 1.00 21.19 C ATOM 917 C ASP A 58 0.734 -24.264 -3.272 1.00 20.53 C ATOM 918 O ASP A 58 1.660 -24.544 -2.510 1.00 21.09 O ATOM 919 CB ASP A 58 1.085 -25.125 -5.597 1.00 20.98 C ATOM 920 CG ASP A 58 2.577 -25.237 -5.339 1.00 22.06 C ATOM 921 OD1 ASP A 58 3.081 -26.377 -5.252 1.00 23.14 O ATOM 922 OD2 ASP A 58 3.240 -24.185 -5.224 1.00 21.87 O ATOM 0 H ASP A 58 -1.359 -24.753 -5.558 1.00 20.79 H new ATOM 0 HA ASP A 58 0.385 -26.272 -3.917 1.00 21.19 H new ATOM 0 HB2 ASP A 58 0.784 -25.894 -6.309 1.00 20.98 H new ATOM 0 HB3 ASP A 58 0.871 -24.161 -6.060 1.00 20.98 H new ATOM 927 N TYR A 59 0.096 -23.096 -3.240 1.00 19.37 N ATOM 928 CA TYR A 59 0.459 -22.046 -2.292 1.00 18.69 C ATOM 929 C TYR A 59 -0.579 -21.929 -1.175 1.00 18.82 C ATOM 930 O TYR A 59 -0.622 -20.931 -0.455 1.00 18.30 O ATOM 931 CB TYR A 59 0.604 -20.713 -3.027 1.00 17.29 C ATOM 932 CG TYR A 59 1.533 -20.785 -4.217 1.00 17.19 C ATOM 933 CD1 TYR A 59 2.911 -20.773 -4.048 1.00 17.22 C ATOM 934 CD2 TYR A 59 1.031 -20.869 -5.511 1.00 17.17 C ATOM 935 CE1 TYR A 59 3.764 -20.841 -5.132 1.00 17.25 C ATOM 936 CE2 TYR A 59 1.878 -20.938 -6.601 1.00 17.26 C ATOM 937 CZ TYR A 59 3.242 -20.923 -6.406 1.00 17.30 C ATOM 938 OH TYR A 59 4.090 -20.991 -7.488 1.00 17.49 O ATOM 0 H TYR A 59 -0.676 -22.853 -3.861 1.00 19.37 H new ATOM 0 HA TYR A 59 1.413 -22.309 -1.834 1.00 18.69 H new ATOM 0 HB2 TYR A 59 -0.379 -20.382 -3.362 1.00 17.29 H new ATOM 0 HB3 TYR A 59 0.974 -19.960 -2.331 1.00 17.29 H new ATOM 0 HD1 TYR A 59 3.323 -20.709 -3.052 1.00 17.22 H new ATOM 0 HD2 TYR A 59 -0.038 -20.881 -5.667 1.00 17.17 H new ATOM 0 HE1 TYR A 59 4.834 -20.830 -4.983 1.00 17.25 H new ATOM 0 HE2 TYR A 59 1.473 -21.003 -7.600 1.00 17.26 H new ATOM 0 HH TYR A 59 4.995 -21.209 -7.181 1.00 17.49 H new ATOM 948 N ASN A 60 -1.410 -22.963 -1.036 1.00 19.61 N ATOM 949 CA ASN A 60 -2.448 -22.993 -0.005 1.00 19.94 C ATOM 950 C ASN A 60 -3.348 -21.758 -0.086 1.00 18.78 C ATOM 951 O ASN A 60 -3.748 -21.200 0.938 1.00 18.73 O ATOM 952 CB ASN A 60 -1.807 -23.095 1.384 1.00 20.73 C ATOM 953 CG ASN A 60 -2.825 -23.349 2.481 1.00 21.53 C ATOM 954 OD1 ASN A 60 -3.860 -23.977 2.254 1.00 21.59 O ATOM 955 ND2 ASN A 60 -2.534 -22.862 3.682 1.00 22.24 N ATOM 0 H ASN A 60 -1.384 -23.794 -1.627 1.00 19.61 H new ATOM 0 HA ASN A 60 -3.070 -23.871 -0.176 1.00 19.94 H new ATOM 0 HB2 ASN A 60 -1.072 -23.900 1.382 1.00 20.73 H new ATOM 0 HB3 ASN A 60 -1.269 -22.172 1.600 1.00 20.73 H new ATOM 0 HD21 ASN A 60 -3.179 -23.003 4.459 1.00 22.24 H new ATOM 0 HD22 ASN A 60 -1.665 -22.347 3.827 1.00 22.24 H new ATOM 962 N ILE A 61 -3.669 -21.342 -1.308 1.00 17.93 N ATOM 963 CA ILE A 61 -4.521 -20.177 -1.527 1.00 16.80 C ATOM 964 C ILE A 61 -5.995 -20.569 -1.537 1.00 17.14 C ATOM 965 O ILE A 61 -6.451 -21.283 -2.432 1.00 17.46 O ATOM 966 CB ILE A 61 -4.173 -19.468 -2.853 1.00 15.70 C ATOM 967 CG1 ILE A 61 -2.710 -19.022 -2.846 1.00 15.44 C ATOM 968 CG2 ILE A 61 -5.097 -18.277 -3.083 1.00 14.52 C ATOM 969 CD1 ILE A 61 -2.244 -18.434 -4.161 1.00 14.60 C ATOM 0 H ILE A 61 -3.351 -21.796 -2.164 1.00 17.93 H new ATOM 0 HA ILE A 61 -4.339 -19.489 -0.701 1.00 16.80 H new ATOM 0 HB ILE A 61 -4.317 -20.173 -3.672 1.00 15.70 H new ATOM 0 HG12 ILE A 61 -2.569 -18.282 -2.058 1.00 15.44 H new ATOM 0 HG13 ILE A 61 -2.081 -19.876 -2.597 1.00 15.44 H new ATOM 0 HG21 ILE A 61 -4.836 -17.790 -4.023 1.00 14.52 H new ATOM 0 HG22 ILE A 61 -6.130 -18.621 -3.127 1.00 14.52 H new ATOM 0 HG23 ILE A 61 -4.986 -17.567 -2.263 1.00 14.52 H new ATOM 0 HD11 ILE A 61 -1.197 -18.141 -4.078 1.00 14.60 H new ATOM 0 HD12 ILE A 61 -2.351 -19.178 -4.951 1.00 14.60 H new ATOM 0 HD13 ILE A 61 -2.847 -17.559 -4.402 1.00 14.60 H new ATOM 981 N GLN A 62 -6.731 -20.100 -0.533 1.00 17.17 N ATOM 982 CA GLN A 62 -8.157 -20.393 -0.416 1.00 17.56 C ATOM 983 C GLN A 62 -8.996 -19.173 -0.791 1.00 16.44 C ATOM 984 O GLN A 62 -8.493 -18.219 -1.385 1.00 15.35 O ATOM 985 CB GLN A 62 -8.487 -20.850 1.008 1.00 18.57 C ATOM 986 CG GLN A 62 -7.755 -22.117 1.427 1.00 19.77 C ATOM 987 CD GLN A 62 -7.976 -23.266 0.459 1.00 20.75 C ATOM 988 OE1 GLN A 62 -7.208 -23.455 -0.484 1.00 21.49 O ATOM 989 NE2 GLN A 62 -9.034 -24.037 0.686 1.00 20.83 N ATOM 0 H GLN A 62 -6.361 -19.513 0.215 1.00 17.17 H new ATOM 0 HA GLN A 62 -8.400 -21.198 -1.110 1.00 17.56 H new ATOM 0 HB2 GLN A 62 -8.238 -20.049 1.704 1.00 18.57 H new ATOM 0 HB3 GLN A 62 -9.561 -21.018 1.087 1.00 18.57 H new ATOM 0 HG2 GLN A 62 -6.688 -21.908 1.500 1.00 19.77 H new ATOM 0 HG3 GLN A 62 -8.090 -22.414 2.421 1.00 19.77 H new ATOM 0 HE21 GLN A 62 -9.645 -23.844 1.480 1.00 20.83 H new ATOM 0 HE22 GLN A 62 -9.236 -24.822 0.066 1.00 20.83 H new ATOM 998 N LYS A 63 -10.281 -19.211 -0.442 1.00 16.74 N ATOM 999 CA LYS A 63 -11.197 -18.114 -0.743 1.00 15.83 C ATOM 1000 C LYS A 63 -10.852 -16.866 0.068 1.00 15.40 C ATOM 1001 O LYS A 63 -10.133 -16.941 1.066 1.00 16.08 O ATOM 1002 CB LYS A 63 -12.640 -18.533 -0.453 1.00 16.42 C ATOM 1003 CG LYS A 63 -12.890 -18.897 1.004 1.00 17.58 C ATOM 1004 CD LYS A 63 -14.329 -19.336 1.232 1.00 18.15 C ATOM 1005 CE LYS A 63 -14.575 -19.720 2.684 1.00 19.19 C ATOM 1006 NZ LYS A 63 -14.332 -18.581 3.612 1.00 18.86 N ATOM 0 H LYS A 63 -10.712 -19.993 0.051 1.00 16.74 H new ATOM 0 HA LYS A 63 -11.094 -17.876 -1.802 1.00 15.83 H new ATOM 0 HB2 LYS A 63 -13.309 -17.720 -0.735 1.00 16.42 H new ATOM 0 HB3 LYS A 63 -12.894 -19.387 -1.081 1.00 16.42 H new ATOM 0 HG2 LYS A 63 -12.213 -19.698 1.301 1.00 17.58 H new ATOM 0 HG3 LYS A 63 -12.666 -18.039 1.638 1.00 17.58 H new ATOM 0 HD2 LYS A 63 -15.005 -18.529 0.949 1.00 18.15 H new ATOM 0 HD3 LYS A 63 -14.558 -20.184 0.587 1.00 18.15 H new ATOM 0 HE2 LYS A 63 -15.602 -20.068 2.798 1.00 19.19 H new ATOM 0 HE3 LYS A 63 -13.925 -20.552 2.954 1.00 19.19 H new ATOM 0 HZ1 LYS A 63 -14.701 -18.817 4.555 1.00 18.86 H new ATOM 0 HZ2 LYS A 63 -13.310 -18.397 3.676 1.00 18.86 H new ATOM 0 HZ3 LYS A 63 -14.815 -17.732 3.254 1.00 18.86 H new ATOM 1020 N GLU A 64 -11.374 -15.723 -0.372 1.00 14.33 N ATOM 1021 CA GLU A 64 -11.141 -14.449 0.306 1.00 13.93 C ATOM 1022 C GLU A 64 -9.645 -14.157 0.439 1.00 13.56 C ATOM 1023 O GLU A 64 -9.207 -13.527 1.404 1.00 13.53 O ATOM 1024 CB GLU A 64 -11.812 -14.460 1.687 1.00 14.98 C ATOM 1025 CG GLU A 64 -11.957 -13.080 2.314 1.00 15.11 C ATOM 1026 CD GLU A 64 -12.785 -13.101 3.585 1.00 15.97 C ATOM 1027 OE1 GLU A 64 -12.208 -13.348 4.665 1.00 15.76 O ATOM 1028 OE2 GLU A 64 -14.011 -12.873 3.500 1.00 16.92 O ATOM 0 H GLU A 64 -11.965 -15.653 -1.200 1.00 14.33 H new ATOM 0 HA GLU A 64 -11.581 -13.655 -0.297 1.00 13.93 H new ATOM 0 HB2 GLU A 64 -12.799 -14.913 1.597 1.00 14.98 H new ATOM 0 HB3 GLU A 64 -11.231 -15.094 2.357 1.00 14.98 H new ATOM 0 HG2 GLU A 64 -10.968 -12.680 2.536 1.00 15.11 H new ATOM 0 HG3 GLU A 64 -12.420 -12.405 1.594 1.00 15.11 H new ATOM 1035 N SER A 65 -8.866 -14.611 -0.541 1.00 13.38 N ATOM 1036 CA SER A 65 -7.421 -14.396 -0.538 1.00 13.05 C ATOM 1037 C SER A 65 -7.065 -13.112 -1.281 1.00 11.65 C ATOM 1038 O SER A 65 -7.626 -12.820 -2.336 1.00 10.94 O ATOM 1039 CB SER A 65 -6.701 -15.586 -1.179 1.00 13.61 C ATOM 1040 OG SER A 65 -7.139 -15.793 -2.511 1.00 14.92 O ATOM 0 H SER A 65 -9.212 -15.130 -1.348 1.00 13.38 H new ATOM 0 HA SER A 65 -7.095 -14.302 0.498 1.00 13.05 H new ATOM 0 HB2 SER A 65 -5.625 -15.411 -1.170 1.00 13.61 H new ATOM 0 HB3 SER A 65 -6.883 -16.485 -0.590 1.00 13.61 H new ATOM 0 HG SER A 65 -7.561 -16.674 -2.583 1.00 14.92 H new ATOM 1046 N THR A 66 -6.124 -12.354 -0.725 1.00 11.29 N ATOM 1047 CA THR A 66 -5.695 -11.095 -1.327 1.00 9.99 C ATOM 1048 C THR A 66 -4.402 -11.276 -2.121 1.00 9.57 C ATOM 1049 O THR A 66 -3.386 -11.715 -1.581 1.00 10.12 O ATOM 1050 CB THR A 66 -5.479 -10.008 -0.255 1.00 9.92 C ATOM 1051 OG1 THR A 66 -6.660 -9.869 0.545 1.00 10.85 O ATOM 1052 CG2 THR A 66 -5.139 -8.669 -0.895 1.00 8.71 C ATOM 0 H THR A 66 -5.643 -12.590 0.143 1.00 11.29 H new ATOM 0 HA THR A 66 -6.490 -10.778 -2.002 1.00 9.99 H new ATOM 0 HB THR A 66 -4.643 -10.314 0.374 1.00 9.92 H new ATOM 0 HG1 THR A 66 -6.515 -9.178 1.225 1.00 10.85 H new ATOM 0 HG21 THR A 66 -4.992 -7.921 -0.116 1.00 8.71 H new ATOM 0 HG22 THR A 66 -4.225 -8.767 -1.481 1.00 8.71 H new ATOM 0 HG23 THR A 66 -5.956 -8.359 -1.546 1.00 8.71 H new ATOM 1060 N LEU A 67 -4.456 -10.934 -3.406 1.00 8.72 N ATOM 1061 CA LEU A 67 -3.297 -11.045 -4.289 1.00 8.45 C ATOM 1062 C LEU A 67 -2.886 -9.666 -4.793 1.00 7.19 C ATOM 1063 O LEU A 67 -3.657 -8.993 -5.478 1.00 6.40 O ATOM 1064 CB LEU A 67 -3.622 -11.956 -5.477 1.00 8.71 C ATOM 1065 CG LEU A 67 -4.232 -13.312 -5.111 1.00 9.84 C ATOM 1066 CD1 LEU A 67 -4.684 -14.052 -6.362 1.00 10.06 C ATOM 1067 CD2 LEU A 67 -3.237 -14.152 -4.323 1.00 10.94 C ATOM 0 H LEU A 67 -5.295 -10.576 -3.861 1.00 8.72 H new ATOM 0 HA LEU A 67 -2.471 -11.478 -3.725 1.00 8.45 H new ATOM 0 HB2 LEU A 67 -4.312 -11.432 -6.138 1.00 8.71 H new ATOM 0 HB3 LEU A 67 -2.707 -12.128 -6.043 1.00 8.71 H new ATOM 0 HG LEU A 67 -5.105 -13.136 -4.483 1.00 9.84 H new ATOM 0 HD11 LEU A 67 -5.115 -15.013 -6.081 1.00 10.06 H new ATOM 0 HD12 LEU A 67 -5.433 -13.458 -6.885 1.00 10.06 H new ATOM 0 HD13 LEU A 67 -3.828 -14.216 -7.017 1.00 10.06 H new ATOM 0 HD21 LEU A 67 -3.689 -15.112 -4.072 1.00 10.94 H new ATOM 0 HD22 LEU A 67 -2.344 -14.318 -4.925 1.00 10.94 H new ATOM 0 HD23 LEU A 67 -2.965 -13.629 -3.406 1.00 10.94 H new ATOM 1079 N HIS A 68 -1.672 -9.247 -4.456 1.00 7.09 N ATOM 1080 CA HIS A 68 -1.183 -7.937 -4.871 1.00 5.99 C ATOM 1081 C HIS A 68 -0.496 -7.993 -6.231 1.00 5.70 C ATOM 1082 O HIS A 68 0.554 -8.618 -6.383 1.00 6.53 O ATOM 1083 CB HIS A 68 -0.224 -7.367 -3.823 1.00 6.18 C ATOM 1084 CG HIS A 68 0.256 -5.984 -4.147 1.00 6.68 C ATOM 1085 ND1 HIS A 68 -0.592 -4.904 -4.271 1.00 6.45 N ATOM 1086 CD2 HIS A 68 1.503 -5.509 -4.385 1.00 7.71 C ATOM 1087 CE1 HIS A 68 0.109 -3.827 -4.571 1.00 7.36 C ATOM 1088 NE2 HIS A 68 1.383 -4.166 -4.646 1.00 8.09 N ATOM 0 H HIS A 68 -1.012 -9.791 -3.900 1.00 7.09 H new ATOM 0 HA HIS A 68 -2.049 -7.281 -4.961 1.00 5.99 H new ATOM 0 HB2 HIS A 68 -0.723 -7.353 -2.854 1.00 6.18 H new ATOM 0 HB3 HIS A 68 0.636 -8.030 -3.729 1.00 6.18 H new ATOM 0 HD1 HIS A 68 -1.604 -4.933 -4.150 1.00 6.45 H new ATOM 0 HD2 HIS A 68 2.420 -6.080 -4.372 1.00 7.71 H new ATOM 0 HE1 HIS A 68 -0.291 -2.836 -4.728 1.00 7.36 H new ATOM 1097 N LEU A 69 -1.101 -7.332 -7.218 1.00 4.81 N ATOM 1098 CA LEU A 69 -0.542 -7.281 -8.565 1.00 4.96 C ATOM 1099 C LEU A 69 0.799 -6.551 -8.544 1.00 4.58 C ATOM 1100 O LEU A 69 1.305 -6.209 -7.475 1.00 3.90 O ATOM 1101 CB LEU A 69 -1.512 -6.577 -9.522 1.00 4.80 C ATOM 1102 CG LEU A 69 -2.721 -7.413 -9.950 1.00 5.50 C ATOM 1103 CD1 LEU A 69 -3.787 -6.528 -10.583 1.00 6.70 C ATOM 1104 CD2 LEU A 69 -2.298 -8.509 -10.918 1.00 5.42 C ATOM 0 H LEU A 69 -1.979 -6.825 -7.108 1.00 4.81 H new ATOM 0 HA LEU A 69 -0.387 -8.300 -8.918 1.00 4.96 H new ATOM 0 HB2 LEU A 69 -1.871 -5.665 -9.045 1.00 4.80 H new ATOM 0 HB3 LEU A 69 -0.963 -6.276 -10.414 1.00 4.80 H new ATOM 0 HG LEU A 69 -3.144 -7.882 -9.062 1.00 5.50 H new ATOM 0 HD11 LEU A 69 -4.638 -7.140 -10.881 1.00 6.70 H new ATOM 0 HD12 LEU A 69 -4.113 -5.779 -9.862 1.00 6.70 H new ATOM 0 HD13 LEU A 69 -3.373 -6.031 -11.460 1.00 6.70 H new ATOM 0 HD21 LEU A 69 -3.171 -9.093 -11.211 1.00 5.42 H new ATOM 0 HD22 LEU A 69 -1.849 -8.059 -11.803 1.00 5.42 H new ATOM 0 HD23 LEU A 69 -1.571 -9.161 -10.434 1.00 5.42 H new ATOM 1116 N VAL A 70 1.353 -6.284 -9.723 1.00 5.29 N ATOM 1117 CA VAL A 70 2.640 -5.604 -9.840 1.00 5.30 C ATOM 1118 C VAL A 70 2.813 -5.068 -11.257 1.00 6.23 C ATOM 1119 O VAL A 70 3.038 -5.837 -12.194 1.00 7.13 O ATOM 1120 CB VAL A 70 3.832 -6.538 -9.525 1.00 5.71 C ATOM 1121 CG1 VAL A 70 5.156 -5.824 -9.769 1.00 5.73 C ATOM 1122 CG2 VAL A 70 3.766 -7.066 -8.097 1.00 5.32 C ATOM 0 H VAL A 70 0.928 -6.530 -10.617 1.00 5.29 H new ATOM 0 HA VAL A 70 2.637 -4.793 -9.111 1.00 5.30 H new ATOM 0 HB VAL A 70 3.767 -7.392 -10.199 1.00 5.71 H new ATOM 0 HG11 VAL A 70 5.981 -6.499 -9.541 1.00 5.73 H new ATOM 0 HG12 VAL A 70 5.217 -5.516 -10.813 1.00 5.73 H new ATOM 0 HG13 VAL A 70 5.219 -4.945 -9.128 1.00 5.73 H new ATOM 0 HG21 VAL A 70 4.619 -7.719 -7.911 1.00 5.32 H new ATOM 0 HG22 VAL A 70 3.790 -6.230 -7.398 1.00 5.32 H new ATOM 0 HG23 VAL A 70 2.842 -7.628 -7.959 1.00 5.32 H new ATOM 1132 N LEU A 71 2.699 -3.752 -11.413 1.00 6.27 N ATOM 1133 CA LEU A 71 2.849 -3.122 -12.720 1.00 7.40 C ATOM 1134 C LEU A 71 4.113 -2.270 -12.744 1.00 8.31 C ATOM 1135 O LEU A 71 4.058 -1.043 -12.646 1.00 8.22 O ATOM 1136 CB LEU A 71 1.618 -2.275 -13.067 1.00 7.48 C ATOM 1137 CG LEU A 71 0.309 -3.056 -13.251 1.00 7.46 C ATOM 1138 CD1 LEU A 71 -0.174 -3.626 -11.922 1.00 6.63 C ATOM 1139 CD2 LEU A 71 -0.760 -2.167 -13.872 1.00 8.16 C ATOM 0 H LEU A 71 2.503 -3.102 -10.651 1.00 6.27 H new ATOM 0 HA LEU A 71 2.937 -3.905 -13.474 1.00 7.40 H new ATOM 0 HB2 LEU A 71 1.472 -1.537 -12.278 1.00 7.48 H new ATOM 0 HB3 LEU A 71 1.824 -1.724 -13.985 1.00 7.48 H new ATOM 0 HG LEU A 71 0.502 -3.889 -13.927 1.00 7.46 H new ATOM 0 HD11 LEU A 71 -1.103 -4.175 -12.078 1.00 6.63 H new ATOM 0 HD12 LEU A 71 0.582 -4.299 -11.518 1.00 6.63 H new ATOM 0 HD13 LEU A 71 -0.347 -2.812 -11.218 1.00 6.63 H new ATOM 0 HD21 LEU A 71 -1.681 -2.737 -13.995 1.00 8.16 H new ATOM 0 HD22 LEU A 71 -0.946 -1.313 -13.221 1.00 8.16 H new ATOM 0 HD23 LEU A 71 -0.419 -1.814 -14.845 1.00 8.16 H new ATOM 1151 N ARG A 72 5.253 -2.943 -12.859 1.00 9.27 N ATOM 1152 CA ARG A 72 6.546 -2.270 -12.889 1.00 10.25 C ATOM 1153 C ARG A 72 6.810 -1.658 -14.257 1.00 11.32 C ATOM 1154 O ARG A 72 6.875 -2.363 -15.266 1.00 12.10 O ATOM 1155 CB ARG A 72 7.666 -3.246 -12.514 1.00 10.86 C ATOM 1156 CG ARG A 72 7.615 -4.573 -13.261 1.00 11.89 C ATOM 1157 CD ARG A 72 8.757 -5.487 -12.844 1.00 12.56 C ATOM 1158 NE ARG A 72 8.926 -5.523 -11.392 1.00 13.15 N ATOM 1159 CZ ARG A 72 10.030 -5.948 -10.782 1.00 13.62 C ATOM 1160 NH1 ARG A 72 11.052 -6.408 -11.492 1.00 13.61 N ATOM 1161 NH2 ARG A 72 10.110 -5.916 -9.461 1.00 14.22 N ATOM 0 H ARG A 72 5.307 -3.959 -12.933 1.00 9.27 H new ATOM 0 HA ARG A 72 6.526 -1.464 -12.156 1.00 10.25 H new ATOM 0 HB2 ARG A 72 8.627 -2.770 -12.707 1.00 10.86 H new ATOM 0 HB3 ARG A 72 7.618 -3.443 -11.443 1.00 10.86 H new ATOM 0 HG2 ARG A 72 6.662 -5.066 -13.066 1.00 11.89 H new ATOM 0 HG3 ARG A 72 7.666 -4.391 -14.334 1.00 11.89 H new ATOM 0 HD2 ARG A 72 8.568 -6.495 -13.212 1.00 12.56 H new ATOM 0 HD3 ARG A 72 9.682 -5.146 -13.309 1.00 12.56 H new ATOM 0 HE ARG A 72 8.151 -5.203 -10.811 1.00 13.15 H new ATOM 0 HH11 ARG A 72 10.994 -6.437 -12.510 1.00 13.61 H new ATOM 0 HH12 ARG A 72 11.896 -6.733 -11.020 1.00 13.61 H new ATOM 0 HH21 ARG A 72 9.326 -5.566 -8.911 1.00 14.22 H new ATOM 0 HH22 ARG A 72 10.956 -6.242 -8.993 1.00 14.22 H new ATOM 1175 N LEU A 73 6.958 -0.337 -14.282 1.00 11.45 N ATOM 1176 CA LEU A 73 7.215 0.385 -15.522 1.00 12.57 C ATOM 1177 C LEU A 73 8.634 0.946 -15.525 1.00 13.68 C ATOM 1178 O LEU A 73 9.333 0.884 -16.538 1.00 13.63 O ATOM 1179 CB LEU A 73 6.195 1.514 -15.696 1.00 12.50 C ATOM 1180 CG LEU A 73 6.103 2.104 -17.107 1.00 12.30 C ATOM 1181 CD1 LEU A 73 5.654 1.044 -18.104 1.00 11.49 C ATOM 1182 CD2 LEU A 73 5.153 3.294 -17.128 1.00 12.81 C ATOM 0 H LEU A 73 6.904 0.256 -13.454 1.00 11.45 H new ATOM 0 HA LEU A 73 7.115 -0.308 -16.358 1.00 12.57 H new ATOM 0 HB2 LEU A 73 5.212 1.139 -15.412 1.00 12.50 H new ATOM 0 HB3 LEU A 73 6.443 2.316 -15.001 1.00 12.50 H new ATOM 0 HG LEU A 73 7.095 2.450 -17.399 1.00 12.30 H new ATOM 0 HD11 LEU A 73 5.595 1.483 -19.100 1.00 11.49 H new ATOM 0 HD12 LEU A 73 6.372 0.224 -18.111 1.00 11.49 H new ATOM 0 HD13 LEU A 73 4.673 0.665 -17.816 1.00 11.49 H new ATOM 0 HD21 LEU A 73 5.100 3.700 -18.138 1.00 12.81 H new ATOM 0 HD22 LEU A 73 4.160 2.972 -16.814 1.00 12.81 H new ATOM 0 HD23 LEU A 73 5.518 4.063 -16.447 1.00 12.81 H new ATOM 1194 N ARG A 74 9.049 1.490 -14.384 1.00 14.71 N ATOM 1195 CA ARG A 74 10.386 2.059 -14.238 1.00 15.86 C ATOM 1196 C ARG A 74 11.196 1.276 -13.205 1.00 16.72 C ATOM 1197 O ARG A 74 12.405 1.094 -13.361 1.00 17.60 O ATOM 1198 CB ARG A 74 10.290 3.528 -13.819 1.00 16.64 C ATOM 1199 CG ARG A 74 11.638 4.222 -13.686 1.00 16.74 C ATOM 1200 CD ARG A 74 11.497 5.603 -13.064 1.00 17.43 C ATOM 1201 NE ARG A 74 12.789 6.271 -12.913 1.00 18.56 N ATOM 1202 CZ ARG A 74 13.072 7.131 -11.937 1.00 18.96 C ATOM 1203 NH1 ARG A 74 12.159 7.430 -11.021 1.00 18.35 N ATOM 1204 NH2 ARG A 74 14.271 7.692 -11.874 1.00 20.03 N ATOM 0 H ARG A 74 8.475 1.549 -13.543 1.00 14.71 H new ATOM 0 HA ARG A 74 10.894 1.993 -15.200 1.00 15.86 H new ATOM 0 HB2 ARG A 74 9.687 4.065 -14.551 1.00 16.64 H new ATOM 0 HB3 ARG A 74 9.765 3.590 -12.866 1.00 16.64 H new ATOM 0 HG2 ARG A 74 12.303 3.613 -13.074 1.00 16.74 H new ATOM 0 HG3 ARG A 74 12.101 4.310 -14.669 1.00 16.74 H new ATOM 0 HD2 ARG A 74 10.843 6.215 -13.685 1.00 17.43 H new ATOM 0 HD3 ARG A 74 11.019 5.514 -12.089 1.00 17.43 H new ATOM 0 HE ARG A 74 13.517 6.066 -13.597 1.00 18.56 H new ATOM 0 HH11 ARG A 74 11.235 7.000 -11.063 1.00 18.35 H new ATOM 0 HH12 ARG A 74 12.382 8.090 -10.275 1.00 18.35 H new ATOM 0 HH21 ARG A 74 14.978 7.465 -12.574 1.00 20.03 H new ATOM 0 HH22 ARG A 74 14.487 8.351 -11.126 1.00 20.03 H new ATOM 1218 N GLY A 75 10.521 0.814 -12.152 1.00 16.49 N ATOM 1219 CA GLY A 75 11.193 0.062 -11.105 1.00 17.34 C ATOM 1220 C GLY A 75 10.336 -1.058 -10.542 1.00 16.75 C ATOM 1221 O GLY A 75 10.718 -2.228 -10.603 1.00 16.31 O ATOM 0 H GLY A 75 9.520 0.948 -12.007 1.00 16.49 H new ATOM 0 HA2 GLY A 75 12.117 -0.358 -11.502 1.00 17.34 H new ATOM 0 HA3 GLY A 75 11.472 0.740 -10.299 1.00 17.34 H new ATOM 1225 N GLY A 76 9.175 -0.701 -9.994 1.00 16.82 N ATOM 1226 CA GLY A 76 8.284 -1.695 -9.418 1.00 16.39 C ATOM 1227 C GLY A 76 6.818 -1.333 -9.581 1.00 16.87 C ATOM 1228 O GLY A 76 5.989 -2.257 -9.726 1.00 16.60 O ATOM 1229 OXT GLY A 76 6.499 -0.127 -9.557 1.00 17.60 O ATOM 0 H GLY A 76 8.836 0.259 -9.939 1.00 16.82 H new ATOM 0 HA2 GLY A 76 8.470 -2.660 -9.889 1.00 16.39 H new ATOM 0 HA3 GLY A 76 8.510 -1.809 -8.358 1.00 16.39 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 5 18.298 16.936 5.530 1.00 8.45 N ATOM 1235 CA ALA B 5 19.638 16.298 5.615 1.00 8.55 C ATOM 1236 C ALA B 5 19.528 14.838 6.044 1.00 8.21 C ATOM 1237 O ALA B 5 20.537 14.148 6.196 1.00 8.17 O ATOM 1238 CB ALA B 5 20.526 17.066 6.584 1.00 9.15 C ATOM 0 HA ALA B 5 20.088 16.325 4.623 1.00 8.55 H new ATOM 0 HB1 ALA B 5 21.504 16.589 6.637 1.00 9.15 H new ATOM 0 HB2 ALA B 5 20.642 18.093 6.236 1.00 9.15 H new ATOM 0 HB3 ALA B 5 20.069 17.068 7.573 1.00 9.15 H new ATOM 1244 N LYS B 6 18.294 14.373 6.233 1.00 8.14 N ATOM 1245 CA LYS B 6 18.032 12.997 6.643 1.00 7.96 C ATOM 1246 C LYS B 6 16.544 12.688 6.523 1.00 7.52 C ATOM 1247 O LYS B 6 15.710 13.298 7.194 1.00 7.55 O ATOM 1248 CB LYS B 6 18.508 12.762 8.082 1.00 8.42 C ATOM 1249 CG LYS B 6 18.041 13.824 9.068 1.00 9.06 C ATOM 1250 CD LYS B 6 18.470 13.493 10.488 1.00 9.58 C ATOM 1251 CE LYS B 6 18.014 14.557 11.476 1.00 10.19 C ATOM 1252 NZ LYS B 6 16.532 14.708 11.484 1.00 10.58 N ATOM 0 H LYS B 6 17.453 14.937 6.107 1.00 8.14 H new ATOM 0 HA LYS B 6 18.586 12.328 5.984 1.00 7.96 H new ATOM 0 HB2 LYS B 6 18.152 11.788 8.417 1.00 8.42 H new ATOM 0 HB3 LYS B 6 19.597 12.725 8.092 1.00 8.42 H new ATOM 0 HG2 LYS B 6 18.448 14.793 8.780 1.00 9.06 H new ATOM 0 HG3 LYS B 6 16.955 13.909 9.025 1.00 9.06 H new ATOM 0 HD2 LYS B 6 18.057 12.527 10.777 1.00 9.58 H new ATOM 0 HD3 LYS B 6 19.555 13.400 10.528 1.00 9.58 H new ATOM 0 HE2 LYS B 6 18.358 14.295 12.477 1.00 10.19 H new ATOM 0 HE3 LYS B 6 18.475 15.511 11.221 1.00 10.19 H new ATOM 0 HZ1 LYS B 6 16.243 15.256 12.319 1.00 10.58 H new ATOM 0 HZ2 LYS B 6 16.229 15.205 10.622 1.00 10.58 H new ATOM 0 HZ3 LYS B 6 16.087 13.768 11.516 1.00 10.58 H new ATOM 1266 N GLU B 7 16.229 11.735 5.653 1.00 7.18 N ATOM 1267 CA GLU B 7 14.854 11.296 5.440 1.00 6.79 C ATOM 1268 C GLU B 7 14.754 9.796 5.692 1.00 6.27 C ATOM 1269 O GLU B 7 15.345 9.000 4.963 1.00 6.06 O ATOM 1270 CB GLU B 7 14.398 11.626 4.017 1.00 6.70 C ATOM 1271 CG GLU B 7 14.416 13.113 3.696 1.00 7.25 C ATOM 1272 CD GLU B 7 13.514 13.921 4.611 1.00 7.37 C ATOM 1273 OE1 GLU B 7 12.277 13.781 4.501 1.00 7.56 O ATOM 1274 OE2 GLU B 7 14.043 14.689 5.442 1.00 7.53 O ATOM 0 H GLU B 7 16.915 11.247 5.078 1.00 7.18 H new ATOM 0 HA GLU B 7 14.202 11.823 6.137 1.00 6.79 H new ATOM 0 HB2 GLU B 7 15.041 11.103 3.309 1.00 6.70 H new ATOM 0 HB3 GLU B 7 13.387 11.245 3.872 1.00 6.70 H new ATOM 0 HG2 GLU B 7 15.437 13.486 3.778 1.00 7.25 H new ATOM 0 HG3 GLU B 7 14.104 13.261 2.662 1.00 7.25 H new ATOM 1281 N TYR B 8 14.020 9.416 6.735 1.00 6.11 N ATOM 1282 CA TYR B 8 13.862 8.007 7.084 1.00 5.67 C ATOM 1283 C TYR B 8 12.405 7.645 7.359 1.00 5.23 C ATOM 1284 O TYR B 8 11.541 8.517 7.449 1.00 5.37 O ATOM 1285 CB TYR B 8 14.718 7.661 8.305 1.00 5.93 C ATOM 1286 CG TYR B 8 16.204 7.642 8.022 1.00 6.40 C ATOM 1287 CD1 TYR B 8 16.945 8.818 8.005 1.00 6.73 C ATOM 1288 CD2 TYR B 8 16.866 6.446 7.771 1.00 6.75 C ATOM 1289 CE1 TYR B 8 18.302 8.802 7.747 1.00 7.19 C ATOM 1290 CE2 TYR B 8 18.223 6.423 7.512 1.00 7.21 C ATOM 1291 CZ TYR B 8 18.936 7.603 7.501 1.00 7.34 C ATOM 1292 OH TYR B 8 20.288 7.584 7.241 1.00 7.84 O ATOM 0 H TYR B 8 13.527 10.062 7.351 1.00 6.11 H new ATOM 0 HA TYR B 8 14.196 7.424 6.226 1.00 5.67 H new ATOM 0 HB2 TYR B 8 14.517 8.385 9.095 1.00 5.93 H new ATOM 0 HB3 TYR B 8 14.417 6.684 8.683 1.00 5.93 H new ATOM 0 HD1 TYR B 8 16.452 9.759 8.197 1.00 6.73 H new ATOM 0 HD2 TYR B 8 16.311 5.520 7.779 1.00 6.75 H new ATOM 0 HE1 TYR B 8 18.864 9.725 7.738 1.00 7.19 H new ATOM 0 HE2 TYR B 8 18.723 5.485 7.319 1.00 7.21 H new ATOM 0 HH TYR B 8 20.579 6.661 7.090 1.00 7.84 H new ATOM 1302 N CYS B 9 12.150 6.352 7.488 1.00 4.73 N ATOM 1303 CA CYS B 9 10.806 5.854 7.755 1.00 4.31 C ATOM 1304 C CYS B 9 10.853 4.515 8.481 1.00 3.91 C ATOM 1305 O CYS B 9 11.792 3.738 8.302 1.00 3.80 O ATOM 1306 CB CYS B 9 10.031 5.712 6.442 1.00 4.13 C ATOM 1307 SG CYS B 9 10.885 4.731 5.185 1.00 4.61 S ATOM 0 H CYS B 9 12.860 5.623 7.412 1.00 4.73 H new ATOM 0 HA CYS B 9 10.297 6.572 8.398 1.00 4.31 H new ATOM 0 HB2 CYS B 9 9.064 5.254 6.651 1.00 4.13 H new ATOM 0 HB3 CYS B 9 9.833 6.706 6.040 1.00 4.13 H new ATOM 0 HG CYS B 9 12.159 4.712 5.441 1.00 4.61 H new ATOM 1313 N ARG B 10 9.834 4.248 9.298 1.00 3.77 N ATOM 1314 CA ARG B 10 9.767 2.996 10.046 1.00 3.48 C ATOM 1315 C ARG B 10 8.783 2.039 9.385 1.00 3.02 C ATOM 1316 O ARG B 10 7.703 2.444 8.956 1.00 3.04 O ATOM 1317 CB ARG B 10 9.361 3.245 11.501 1.00 3.74 C ATOM 1318 CG ARG B 10 9.405 1.990 12.362 1.00 3.64 C ATOM 1319 CD ARG B 10 8.936 2.261 13.783 1.00 3.85 C ATOM 1320 NE ARG B 10 9.032 1.067 14.621 1.00 3.92 N ATOM 1321 CZ ARG B 10 8.440 0.944 15.807 1.00 4.05 C ATOM 1322 NH1 ARG B 10 7.705 1.936 16.293 1.00 4.22 N ATOM 1323 NH2 ARG B 10 8.581 -0.174 16.506 1.00 4.43 N ATOM 0 H ARG B 10 9.049 4.879 9.457 1.00 3.77 H new ATOM 0 HA ARG B 10 10.760 2.546 10.041 1.00 3.48 H new ATOM 0 HB2 ARG B 10 10.023 3.996 11.932 1.00 3.74 H new ATOM 0 HB3 ARG B 10 8.352 3.658 11.524 1.00 3.74 H new ATOM 0 HG2 ARG B 10 8.778 1.220 11.913 1.00 3.64 H new ATOM 0 HG3 ARG B 10 10.423 1.600 12.384 1.00 3.64 H new ATOM 0 HD2 ARG B 10 9.536 3.060 14.218 1.00 3.85 H new ATOM 0 HD3 ARG B 10 7.904 2.611 13.765 1.00 3.85 H new ATOM 0 HE ARG B 10 9.585 0.282 14.277 1.00 3.92 H new ATOM 0 HH11 ARG B 10 7.592 2.797 15.757 1.00 4.22 H new ATOM 0 HH12 ARG B 10 7.253 1.838 17.202 1.00 4.22 H new ATOM 0 HH21 ARG B 10 9.143 -0.940 16.135 1.00 4.43 H new ATOM 0 HH22 ARG B 10 8.127 -0.268 17.415 1.00 4.43 H new ATOM 1337 N THR B 11 9.161 0.768 9.314 1.00 2.72 N ATOM 1338 CA THR B 11 8.319 -0.249 8.698 1.00 2.35 C ATOM 1339 C THR B 11 7.225 -0.731 9.647 1.00 2.40 C ATOM 1340 O THR B 11 7.508 -1.159 10.767 1.00 2.57 O ATOM 1341 CB THR B 11 9.158 -1.456 8.249 1.00 2.15 C ATOM 1342 OG1 THR B 11 9.950 -1.922 9.346 1.00 2.48 O ATOM 1343 CG2 THR B 11 10.063 -1.083 7.083 1.00 2.15 C ATOM 0 H THR B 11 10.047 0.417 9.677 1.00 2.72 H new ATOM 0 HA THR B 11 7.850 0.216 7.831 1.00 2.35 H new ATOM 0 HB THR B 11 8.483 -2.246 7.921 1.00 2.15 H new ATOM 0 HG1 THR B 11 10.035 -2.897 9.297 1.00 2.48 H new ATOM 0 HG21 THR B 11 10.647 -1.953 6.783 1.00 2.15 H new ATOM 0 HG22 THR B 11 9.455 -0.747 6.243 1.00 2.15 H new ATOM 0 HG23 THR B 11 10.736 -0.282 7.387 1.00 2.15 H new ATOM 1351 N LEU B 12 5.973 -0.661 9.193 1.00 2.42 N ATOM 1352 CA LEU B 12 4.839 -1.080 10.011 1.00 2.61 C ATOM 1353 C LEU B 12 4.533 -2.565 9.823 1.00 2.57 C ATOM 1354 O LEU B 12 3.883 -3.174 10.672 1.00 2.79 O ATOM 1355 CB LEU B 12 3.604 -0.244 9.660 1.00 2.93 C ATOM 1356 CG LEU B 12 3.786 1.273 9.785 1.00 3.34 C ATOM 1357 CD1 LEU B 12 2.572 2.006 9.233 1.00 3.72 C ATOM 1358 CD2 LEU B 12 4.033 1.666 11.236 1.00 3.78 C ATOM 0 H LEU B 12 5.721 -0.319 8.266 1.00 2.42 H new ATOM 0 HA LEU B 12 5.102 -0.920 11.057 1.00 2.61 H new ATOM 0 HB2 LEU B 12 3.307 -0.475 8.637 1.00 2.93 H new ATOM 0 HB3 LEU B 12 2.782 -0.550 10.307 1.00 2.93 H new ATOM 0 HG LEU B 12 4.658 1.562 9.198 1.00 3.34 H new ATOM 0 HD11 LEU B 12 2.721 3.081 9.331 1.00 3.72 H new ATOM 0 HD12 LEU B 12 2.441 1.752 8.181 1.00 3.72 H new ATOM 0 HD13 LEU B 12 1.684 1.710 9.791 1.00 3.72 H new ATOM 0 HD21 LEU B 12 4.160 2.746 11.304 1.00 3.78 H new ATOM 0 HD22 LEU B 12 3.182 1.361 11.845 1.00 3.78 H new ATOM 0 HD23 LEU B 12 4.934 1.172 11.598 1.00 3.78 H new ATOM 1370 N PHE B 13 4.992 -3.149 8.717 1.00 2.42 N ATOM 1371 CA PHE B 13 4.750 -4.568 8.450 1.00 2.54 C ATOM 1372 C PHE B 13 5.889 -5.187 7.642 1.00 2.25 C ATOM 1373 O PHE B 13 6.635 -4.481 6.963 1.00 1.97 O ATOM 1374 CB PHE B 13 3.426 -4.741 7.701 1.00 2.93 C ATOM 1375 CG PHE B 13 2.230 -4.267 8.477 1.00 3.43 C ATOM 1376 CD1 PHE B 13 1.668 -5.063 9.462 1.00 3.89 C ATOM 1377 CD2 PHE B 13 1.669 -3.025 8.223 1.00 3.98 C ATOM 1378 CE1 PHE B 13 0.570 -4.630 10.180 1.00 4.60 C ATOM 1379 CE2 PHE B 13 0.570 -2.587 8.937 1.00 4.67 C ATOM 1380 CZ PHE B 13 0.020 -3.390 9.917 1.00 4.88 C ATOM 0 H PHE B 13 5.529 -2.667 7.996 1.00 2.42 H new ATOM 0 HA PHE B 13 4.697 -5.085 9.408 1.00 2.54 H new ATOM 0 HB2 PHE B 13 3.477 -4.195 6.759 1.00 2.93 H new ATOM 0 HB3 PHE B 13 3.294 -5.794 7.453 1.00 2.93 H new ATOM 0 HD1 PHE B 13 2.093 -6.033 9.671 1.00 3.89 H new ATOM 0 HD2 PHE B 13 2.096 -2.393 7.458 1.00 3.98 H new ATOM 0 HE1 PHE B 13 0.142 -5.260 10.946 1.00 4.60 H new ATOM 0 HE2 PHE B 13 0.142 -1.618 8.729 1.00 4.67 H new ATOM 0 HZ PHE B 13 -0.838 -3.049 10.477 1.00 4.88 H new ATOM 1390 N PRO B 14 6.035 -6.526 7.712 1.00 2.42 N ATOM 1391 CA PRO B 14 7.085 -7.248 6.987 1.00 2.31 C ATOM 1392 C PRO B 14 6.794 -7.377 5.493 1.00 2.34 C ATOM 1393 O PRO B 14 5.655 -7.605 5.084 1.00 2.77 O ATOM 1394 CB PRO B 14 7.091 -8.622 7.655 1.00 2.76 C ATOM 1395 CG PRO B 14 5.695 -8.809 8.139 1.00 3.11 C ATOM 1396 CD PRO B 14 5.194 -7.438 8.514 1.00 2.88 C ATOM 0 HA PRO B 14 8.041 -6.727 7.036 1.00 2.31 H new ATOM 0 HB2 PRO B 14 7.375 -9.404 6.951 1.00 2.76 H new ATOM 0 HB3 PRO B 14 7.805 -8.660 8.478 1.00 2.76 H new ATOM 0 HG2 PRO B 14 5.070 -9.253 7.364 1.00 3.11 H new ATOM 0 HG3 PRO B 14 5.667 -9.482 8.996 1.00 3.11 H new ATOM 0 HD2 PRO B 14 4.137 -7.320 8.277 1.00 2.88 H new ATOM 0 HD3 PRO B 14 5.305 -7.250 9.582 1.00 2.88 H new ATOM 1404 N TYR B 15 7.839 -7.226 4.697 1.00 2.05 N ATOM 1405 CA TYR B 15 7.742 -7.323 3.243 1.00 2.18 C ATOM 1406 C TYR B 15 8.895 -8.149 2.686 1.00 2.20 C ATOM 1407 O TYR B 15 10.054 -7.913 3.029 1.00 2.06 O ATOM 1408 CB TYR B 15 7.763 -5.937 2.600 1.00 2.12 C ATOM 1409 CG TYR B 15 7.697 -5.988 1.088 1.00 2.49 C ATOM 1410 CD1 TYR B 15 6.501 -6.267 0.436 1.00 3.05 C ATOM 1411 CD2 TYR B 15 8.831 -5.771 0.315 1.00 2.50 C ATOM 1412 CE1 TYR B 15 6.439 -6.327 -0.944 1.00 3.52 C ATOM 1413 CE2 TYR B 15 8.775 -5.828 -1.065 1.00 2.98 C ATOM 1414 CZ TYR B 15 7.577 -6.107 -1.688 1.00 3.45 C ATOM 1415 OH TYR B 15 7.519 -6.167 -3.061 1.00 4.00 O ATOM 0 H TYR B 15 8.781 -7.032 5.037 1.00 2.05 H new ATOM 0 HA TYR B 15 6.796 -7.811 3.007 1.00 2.18 H new ATOM 0 HB2 TYR B 15 6.922 -5.355 2.976 1.00 2.12 H new ATOM 0 HB3 TYR B 15 8.672 -5.416 2.902 1.00 2.12 H new ATOM 0 HD1 TYR B 15 5.607 -6.439 1.016 1.00 3.05 H new ATOM 0 HD2 TYR B 15 9.771 -5.554 0.800 1.00 2.50 H new ATOM 0 HE1 TYR B 15 5.503 -6.545 -1.436 1.00 3.52 H new ATOM 0 HE2 TYR B 15 9.665 -5.655 -1.652 1.00 2.98 H new ATOM 0 HH TYR B 15 6.603 -6.375 -3.341 1.00 4.00 H new ATOM 1425 N THR B 16 8.578 -9.117 1.827 1.00 2.62 N ATOM 1426 CA THR B 16 9.600 -9.964 1.222 1.00 2.82 C ATOM 1427 C THR B 16 9.730 -9.690 -0.272 1.00 2.71 C ATOM 1428 O THR B 16 8.782 -9.878 -1.035 1.00 3.05 O ATOM 1429 CB THR B 16 9.292 -11.459 1.441 1.00 3.44 C ATOM 1430 OG1 THR B 16 9.197 -11.738 2.843 1.00 3.72 O ATOM 1431 CG2 THR B 16 10.368 -12.338 0.819 1.00 3.82 C ATOM 0 H THR B 16 7.624 -9.332 1.536 1.00 2.62 H new ATOM 0 HA THR B 16 10.543 -9.722 1.712 1.00 2.82 H new ATOM 0 HB THR B 16 8.341 -11.682 0.957 1.00 3.44 H new ATOM 0 HG1 THR B 16 9.000 -12.689 2.975 1.00 3.72 H new ATOM 0 HG21 THR B 16 10.124 -13.387 0.989 1.00 3.82 H new ATOM 0 HG22 THR B 16 10.419 -12.147 -0.253 1.00 3.82 H new ATOM 0 HG23 THR B 16 11.332 -12.111 1.275 1.00 3.82 H new ATOM 1439 N GLY B 17 10.919 -9.239 -0.680 1.00 2.63 N ATOM 1440 CA GLY B 17 11.169 -8.952 -2.082 1.00 2.64 C ATOM 1441 C GLY B 17 11.000 -10.178 -2.954 1.00 2.86 C ATOM 1442 O GLY B 17 11.410 -11.277 -2.577 1.00 3.22 O ATOM 0 H GLY B 17 11.712 -9.068 -0.062 1.00 2.63 H new ATOM 0 HA2 GLY B 17 10.487 -8.171 -2.419 1.00 2.64 H new ATOM 0 HA3 GLY B 17 12.181 -8.563 -2.197 1.00 2.64 H new ATOM 1446 N THR B 18 10.391 -9.989 -4.125 1.00 2.97 N ATOM 1447 CA THR B 18 10.172 -11.084 -5.062 1.00 3.40 C ATOM 1448 C THR B 18 11.103 -10.972 -6.264 1.00 3.24 C ATOM 1449 O THR B 18 11.364 -11.953 -6.963 1.00 3.53 O ATOM 1450 CB THR B 18 8.715 -11.108 -5.554 1.00 4.01 C ATOM 1451 OG1 THR B 18 8.388 -9.861 -6.182 1.00 4.37 O ATOM 1452 CG2 THR B 18 7.761 -11.365 -4.396 1.00 4.64 C ATOM 0 H THR B 18 10.041 -9.086 -4.445 1.00 2.97 H new ATOM 0 HA THR B 18 10.385 -12.010 -4.529 1.00 3.40 H new ATOM 0 HB THR B 18 8.611 -11.916 -6.279 1.00 4.01 H new ATOM 0 HG1 THR B 18 8.901 -9.768 -7.012 1.00 4.37 H new ATOM 0 HG21 THR B 18 6.736 -11.378 -4.765 1.00 4.64 H new ATOM 0 HG22 THR B 18 7.994 -12.327 -3.939 1.00 4.64 H new ATOM 0 HG23 THR B 18 7.869 -10.575 -3.653 1.00 4.64 H new ATOM 1460 N ASN B 19 11.594 -9.753 -6.494 1.00 2.97 N ATOM 1461 CA ASN B 19 12.513 -9.469 -7.592 1.00 2.95 C ATOM 1462 C ASN B 19 13.837 -8.949 -7.043 1.00 2.53 C ATOM 1463 O ASN B 19 13.908 -8.475 -5.908 1.00 2.37 O ATOM 1464 CB ASN B 19 11.903 -8.445 -8.552 1.00 3.31 C ATOM 1465 CG ASN B 19 10.602 -8.927 -9.166 1.00 3.62 C ATOM 1466 OD1 ASN B 19 9.489 -8.639 -8.500 1.00 3.98 O flip ATOM 1467 ND2 ASN B 19 10.596 -9.551 -10.227 1.00 4.05 N flip ATOM 0 H ASN B 19 11.365 -8.938 -5.925 1.00 2.97 H new ATOM 0 HA ASN B 19 12.694 -10.393 -8.141 1.00 2.95 H new ATOM 0 HB2 ASN B 19 11.725 -7.512 -8.018 1.00 3.31 H new ATOM 0 HB3 ASN B 19 12.617 -8.226 -9.346 1.00 3.31 H new ATOM 0 HD21 ASN B 19 11.474 -9.751 -10.706 1.00 4.05 H new ATOM 0 HD22 ASN B 19 9.713 -9.868 -10.627 1.00 4.05 H new ATOM 1474 N GLU B 20 14.887 -9.046 -7.853 1.00 2.59 N ATOM 1475 CA GLU B 20 16.218 -8.610 -7.443 1.00 2.51 C ATOM 1476 C GLU B 20 16.262 -7.104 -7.195 1.00 2.43 C ATOM 1477 O GLU B 20 16.945 -6.640 -6.280 1.00 2.58 O ATOM 1478 CB GLU B 20 17.249 -9.007 -8.505 1.00 2.89 C ATOM 1479 CG GLU B 20 18.692 -8.714 -8.115 1.00 3.34 C ATOM 1480 CD GLU B 20 19.031 -7.234 -8.160 1.00 3.79 C ATOM 1481 OE1 GLU B 20 18.780 -6.598 -9.206 1.00 4.19 O ATOM 1482 OE2 GLU B 20 19.550 -6.712 -7.151 1.00 4.26 O ATOM 0 H GLU B 20 14.842 -9.424 -8.799 1.00 2.59 H new ATOM 0 HA GLU B 20 16.462 -9.106 -6.503 1.00 2.51 H new ATOM 0 HB2 GLU B 20 17.149 -10.073 -8.711 1.00 2.89 H new ATOM 0 HB3 GLU B 20 17.021 -8.480 -9.432 1.00 2.89 H new ATOM 0 HG2 GLU B 20 18.875 -9.092 -7.109 1.00 3.34 H new ATOM 0 HG3 GLU B 20 19.360 -9.255 -8.785 1.00 3.34 H new ATOM 1489 N ASP B 21 15.520 -6.347 -7.998 1.00 2.53 N ATOM 1490 CA ASP B 21 15.503 -4.893 -7.856 1.00 2.79 C ATOM 1491 C ASP B 21 14.587 -4.471 -6.713 1.00 2.58 C ATOM 1492 O ASP B 21 14.498 -3.288 -6.377 1.00 2.78 O ATOM 1493 CB ASP B 21 15.060 -4.232 -9.161 1.00 3.35 C ATOM 1494 CG ASP B 21 13.669 -4.674 -9.582 1.00 3.78 C ATOM 1495 OD1 ASP B 21 13.562 -5.704 -10.280 1.00 4.22 O ATOM 1496 OD2 ASP B 21 12.688 -3.994 -9.209 1.00 4.18 O ATOM 0 H ASP B 21 14.929 -6.710 -8.746 1.00 2.53 H new ATOM 0 HA ASP B 21 16.516 -4.564 -7.624 1.00 2.79 H new ATOM 0 HB2 ASP B 21 15.075 -3.149 -9.041 1.00 3.35 H new ATOM 0 HB3 ASP B 21 15.772 -4.475 -9.950 1.00 3.35 H new ATOM 1501 N GLU B 22 13.906 -5.447 -6.120 1.00 2.35 N ATOM 1502 CA GLU B 22 12.995 -5.187 -5.014 1.00 2.22 C ATOM 1503 C GLU B 22 13.758 -5.045 -3.699 1.00 1.84 C ATOM 1504 O GLU B 22 14.819 -5.643 -3.520 1.00 1.91 O ATOM 1505 CB GLU B 22 11.965 -6.317 -4.899 1.00 2.44 C ATOM 1506 CG GLU B 22 10.523 -5.834 -4.871 1.00 2.91 C ATOM 1507 CD GLU B 22 10.002 -5.468 -6.250 1.00 3.33 C ATOM 1508 OE1 GLU B 22 10.515 -4.494 -6.841 1.00 3.77 O ATOM 1509 OE2 GLU B 22 9.081 -6.156 -6.738 1.00 3.68 O ATOM 0 H GLU B 22 13.970 -6.429 -6.390 1.00 2.35 H new ATOM 0 HA GLU B 22 12.478 -4.249 -5.216 1.00 2.22 H new ATOM 0 HB2 GLU B 22 12.093 -7.000 -5.739 1.00 2.44 H new ATOM 0 HB3 GLU B 22 12.165 -6.887 -3.992 1.00 2.44 H new ATOM 0 HG2 GLU B 22 9.891 -6.612 -4.443 1.00 2.91 H new ATOM 0 HG3 GLU B 22 10.447 -4.966 -4.216 1.00 2.91 H new ATOM 1516 N LEU B 23 13.207 -4.255 -2.791 1.00 1.69 N ATOM 1517 CA LEU B 23 13.799 -4.067 -1.469 1.00 1.59 C ATOM 1518 C LEU B 23 13.034 -4.954 -0.493 1.00 1.33 C ATOM 1519 O LEU B 23 11.805 -5.033 -0.541 1.00 1.30 O ATOM 1520 CB LEU B 23 13.729 -2.595 -1.042 1.00 1.92 C ATOM 1521 CG LEU B 23 14.842 -2.126 -0.097 1.00 2.39 C ATOM 1522 CD1 LEU B 23 14.631 -0.671 0.297 1.00 3.13 C ATOM 1523 CD2 LEU B 23 14.909 -3.011 1.139 1.00 2.61 C ATOM 0 H LEU B 23 12.346 -3.730 -2.943 1.00 1.69 H new ATOM 0 HA LEU B 23 14.853 -4.343 -1.484 1.00 1.59 H new ATOM 0 HB2 LEU B 23 13.752 -1.974 -1.938 1.00 1.92 H new ATOM 0 HB3 LEU B 23 12.768 -2.421 -0.558 1.00 1.92 H new ATOM 0 HG LEU B 23 15.793 -2.205 -0.624 1.00 2.39 H new ATOM 0 HD11 LEU B 23 15.430 -0.356 0.968 1.00 3.13 H new ATOM 0 HD12 LEU B 23 14.640 -0.047 -0.597 1.00 3.13 H new ATOM 0 HD13 LEU B 23 13.671 -0.567 0.803 1.00 3.13 H new ATOM 0 HD21 LEU B 23 15.705 -2.660 1.795 1.00 2.61 H new ATOM 0 HD22 LEU B 23 13.957 -2.969 1.669 1.00 2.61 H new ATOM 0 HD23 LEU B 23 15.112 -4.039 0.840 1.00 2.61 H new ATOM 1535 N THR B 24 13.778 -5.616 0.393 1.00 1.49 N ATOM 1536 CA THR B 24 13.187 -6.504 1.387 1.00 1.61 C ATOM 1537 C THR B 24 13.408 -5.958 2.796 1.00 1.73 C ATOM 1538 O THR B 24 14.543 -5.718 3.203 1.00 2.12 O ATOM 1539 CB THR B 24 13.773 -7.926 1.291 1.00 2.09 C ATOM 1540 OG1 THR B 24 13.535 -8.468 -0.014 1.00 2.21 O ATOM 1541 CG2 THR B 24 13.169 -8.843 2.345 1.00 2.46 C ATOM 0 H THR B 24 14.795 -5.552 0.440 1.00 1.49 H new ATOM 0 HA THR B 24 12.118 -6.554 1.182 1.00 1.61 H new ATOM 0 HB THR B 24 14.846 -7.860 1.468 1.00 2.09 H new ATOM 0 HG1 THR B 24 13.912 -9.371 -0.067 1.00 2.21 H new ATOM 0 HG21 THR B 24 13.602 -9.839 2.252 1.00 2.46 H new ATOM 0 HG22 THR B 24 13.382 -8.446 3.338 1.00 2.46 H new ATOM 0 HG23 THR B 24 12.090 -8.902 2.201 1.00 2.46 H new ATOM 1549 N PHE B 25 12.322 -5.771 3.529 1.00 1.59 N ATOM 1550 CA PHE B 25 12.405 -5.225 4.882 1.00 1.85 C ATOM 1551 C PHE B 25 11.470 -5.933 5.855 1.00 2.01 C ATOM 1552 O PHE B 25 10.481 -6.532 5.438 1.00 2.00 O ATOM 1553 CB PHE B 25 12.103 -3.726 4.873 1.00 1.77 C ATOM 1554 CG PHE B 25 10.857 -3.367 4.117 1.00 1.55 C ATOM 1555 CD1 PHE B 25 9.612 -3.447 4.721 1.00 1.98 C ATOM 1556 CD2 PHE B 25 10.933 -2.948 2.799 1.00 1.69 C ATOM 1557 CE1 PHE B 25 8.467 -3.115 4.024 1.00 2.46 C ATOM 1558 CE2 PHE B 25 9.792 -2.616 2.099 1.00 2.12 C ATOM 1559 CZ PHE B 25 8.557 -2.698 2.710 1.00 2.49 C ATOM 0 H PHE B 25 11.376 -5.987 3.216 1.00 1.59 H new ATOM 0 HA PHE B 25 13.425 -5.392 5.227 1.00 1.85 H new ATOM 0 HB2 PHE B 25 12.007 -3.377 5.901 1.00 1.77 H new ATOM 0 HB3 PHE B 25 12.949 -3.196 4.435 1.00 1.77 H new ATOM 0 HD1 PHE B 25 9.537 -3.773 5.748 1.00 1.98 H new ATOM 0 HD2 PHE B 25 11.896 -2.881 2.314 1.00 1.69 H new ATOM 0 HE1 PHE B 25 7.503 -3.181 4.505 1.00 2.46 H new ATOM 0 HE2 PHE B 25 9.865 -2.291 1.072 1.00 2.12 H new ATOM 0 HZ PHE B 25 7.664 -2.437 2.162 1.00 2.49 H new ATOM 1569 N ARG B 26 11.781 -5.868 7.142 1.00 2.36 N ATOM 1570 CA ARG B 26 10.929 -6.478 8.159 1.00 2.64 C ATOM 1571 C ARG B 26 10.268 -5.398 9.008 1.00 2.55 C ATOM 1572 O ARG B 26 10.492 -4.211 8.785 1.00 2.38 O ATOM 1573 CB ARG B 26 11.735 -7.440 9.035 1.00 3.25 C ATOM 1574 CG ARG B 26 12.243 -8.666 8.287 1.00 3.51 C ATOM 1575 CD ARG B 26 11.111 -9.403 7.586 1.00 4.14 C ATOM 1576 NE ARG B 26 11.550 -10.668 7.003 1.00 4.69 N ATOM 1577 CZ ARG B 26 10.871 -11.325 6.067 1.00 5.47 C ATOM 1578 NH1 ARG B 26 9.724 -10.839 5.609 1.00 5.83 N ATOM 1579 NH2 ARG B 26 11.337 -12.470 5.589 1.00 6.21 N ATOM 0 H ARG B 26 12.612 -5.402 7.508 1.00 2.36 H new ATOM 0 HA ARG B 26 10.149 -7.052 7.660 1.00 2.64 H new ATOM 0 HB2 ARG B 26 12.585 -6.906 9.460 1.00 3.25 H new ATOM 0 HB3 ARG B 26 11.114 -7.765 9.869 1.00 3.25 H new ATOM 0 HG2 ARG B 26 12.989 -8.362 7.553 1.00 3.51 H new ATOM 0 HG3 ARG B 26 12.739 -9.340 8.986 1.00 3.51 H new ATOM 0 HD2 ARG B 26 10.308 -9.593 8.298 1.00 4.14 H new ATOM 0 HD3 ARG B 26 10.698 -8.768 6.802 1.00 4.14 H new ATOM 0 HE ARG B 26 12.427 -11.071 7.332 1.00 4.69 H new ATOM 0 HH11 ARG B 26 9.361 -9.959 5.975 1.00 5.83 H new ATOM 0 HH12 ARG B 26 9.206 -11.346 4.891 1.00 5.83 H new ATOM 0 HH21 ARG B 26 12.217 -12.848 5.939 1.00 6.21 H new ATOM 0 HH22 ARG B 26 10.815 -12.973 4.871 1.00 6.21 H new ATOM 1593 N GLU B 27 9.451 -5.809 9.972 1.00 2.79 N ATOM 1594 CA GLU B 27 8.763 -4.862 10.849 1.00 2.80 C ATOM 1595 C GLU B 27 9.690 -4.409 11.977 1.00 3.17 C ATOM 1596 O GLU B 27 10.494 -5.191 12.486 1.00 3.57 O ATOM 1597 CB GLU B 27 7.497 -5.499 11.427 1.00 3.01 C ATOM 1598 CG GLU B 27 6.588 -4.517 12.151 1.00 2.98 C ATOM 1599 CD GLU B 27 5.333 -5.178 12.693 1.00 3.49 C ATOM 1600 OE1 GLU B 27 4.459 -5.551 11.882 1.00 3.87 O ATOM 1601 OE2 GLU B 27 5.226 -5.322 13.929 1.00 3.83 O ATOM 0 H GLU B 27 9.248 -6.789 10.167 1.00 2.79 H new ATOM 0 HA GLU B 27 8.479 -3.989 10.262 1.00 2.80 H new ATOM 0 HB2 GLU B 27 6.937 -5.969 10.619 1.00 3.01 H new ATOM 0 HB3 GLU B 27 7.784 -6.291 12.119 1.00 3.01 H new ATOM 0 HG2 GLU B 27 7.137 -4.057 12.973 1.00 2.98 H new ATOM 0 HG3 GLU B 27 6.307 -3.716 11.468 1.00 2.98 H new ATOM 1608 N GLY B 28 9.568 -3.134 12.354 1.00 3.14 N ATOM 1609 CA GLY B 28 10.422 -2.571 13.390 1.00 3.60 C ATOM 1610 C GLY B 28 11.780 -2.188 12.830 1.00 3.75 C ATOM 1611 O GLY B 28 12.757 -2.041 13.565 1.00 4.23 O ATOM 0 H GLY B 28 8.891 -2.481 11.959 1.00 3.14 H new ATOM 0 HA2 GLY B 28 9.943 -1.693 13.823 1.00 3.60 H new ATOM 0 HA3 GLY B 28 10.548 -3.295 14.195 1.00 3.60 H new ATOM 1615 N GLU B 29 11.817 -2.030 11.511 1.00 3.41 N ATOM 1616 CA GLU B 29 13.035 -1.696 10.778 1.00 3.61 C ATOM 1617 C GLU B 29 13.164 -0.206 10.455 1.00 3.65 C ATOM 1618 O GLU B 29 12.296 0.608 10.776 1.00 3.39 O ATOM 1619 CB GLU B 29 13.127 -2.527 9.495 1.00 3.33 C ATOM 1620 CG GLU B 29 13.247 -4.022 9.748 1.00 3.45 C ATOM 1621 CD GLU B 29 14.459 -4.375 10.589 1.00 3.74 C ATOM 1622 OE1 GLU B 29 15.555 -4.532 10.012 1.00 4.19 O ATOM 1623 OE2 GLU B 29 14.311 -4.492 11.824 1.00 3.93 O ATOM 0 H GLU B 29 10.996 -2.131 10.915 1.00 3.41 H new ATOM 0 HA GLU B 29 13.867 -1.940 11.438 1.00 3.61 H new ATOM 0 HB2 GLU B 29 12.243 -2.339 8.886 1.00 3.33 H new ATOM 0 HB3 GLU B 29 13.989 -2.194 8.917 1.00 3.33 H new ATOM 0 HG2 GLU B 29 12.346 -4.376 10.249 1.00 3.45 H new ATOM 0 HG3 GLU B 29 13.307 -4.545 8.793 1.00 3.45 H new ATOM 1630 N ILE B 30 14.268 0.098 9.812 1.00 4.10 N ATOM 1631 CA ILE B 30 14.600 1.475 9.446 1.00 4.32 C ATOM 1632 C ILE B 30 15.040 1.570 7.990 1.00 4.27 C ATOM 1633 O ILE B 30 16.055 0.994 7.596 1.00 4.58 O ATOM 1634 CB ILE B 30 15.719 2.049 10.344 1.00 4.94 C ATOM 1635 CG1 ILE B 30 15.340 1.929 11.825 1.00 5.06 C ATOM 1636 CG2 ILE B 30 16.003 3.503 9.978 1.00 5.23 C ATOM 1637 CD1 ILE B 30 14.170 2.799 12.236 1.00 4.81 C ATOM 0 H ILE B 30 14.964 -0.590 9.525 1.00 4.10 H new ATOM 0 HA ILE B 30 13.692 2.061 9.589 1.00 4.32 H new ATOM 0 HB ILE B 30 16.626 1.468 10.177 1.00 4.94 H new ATOM 0 HG12 ILE B 30 15.100 0.889 12.045 1.00 5.06 H new ATOM 0 HG13 ILE B 30 16.206 2.192 12.433 1.00 5.06 H new ATOM 0 HG21 ILE B 30 16.793 3.892 10.620 1.00 5.23 H new ATOM 0 HG22 ILE B 30 16.320 3.561 8.937 1.00 5.23 H new ATOM 0 HG23 ILE B 30 15.099 4.096 10.116 1.00 5.23 H new ATOM 0 HD11 ILE B 30 13.965 2.656 13.297 1.00 4.81 H new ATOM 0 HD12 ILE B 30 14.412 3.846 12.051 1.00 4.81 H new ATOM 0 HD13 ILE B 30 13.289 2.522 11.656 1.00 4.81 H new ATOM 1649 N ILE B 31 14.263 2.300 7.197 1.00 3.95 N ATOM 1650 CA ILE B 31 14.554 2.478 5.779 1.00 3.95 C ATOM 1651 C ILE B 31 14.849 3.939 5.457 1.00 4.46 C ATOM 1652 O ILE B 31 14.205 4.842 5.993 1.00 4.64 O ATOM 1653 CB ILE B 31 13.376 1.998 4.905 1.00 3.46 C ATOM 1654 CG1 ILE B 31 13.080 0.518 5.172 1.00 2.97 C ATOM 1655 CG2 ILE B 31 13.676 2.224 3.427 1.00 3.48 C ATOM 1656 CD1 ILE B 31 11.882 -0.008 4.411 1.00 2.59 C ATOM 0 H ILE B 31 13.422 2.781 7.515 1.00 3.95 H new ATOM 0 HA ILE B 31 15.435 1.877 5.556 1.00 3.95 H new ATOM 0 HB ILE B 31 12.493 2.581 5.168 1.00 3.46 H new ATOM 0 HG12 ILE B 31 13.957 -0.073 4.906 1.00 2.97 H new ATOM 0 HG13 ILE B 31 12.912 0.377 6.240 1.00 2.97 H new ATOM 0 HG21 ILE B 31 12.833 1.879 2.828 1.00 3.48 H new ATOM 0 HG22 ILE B 31 13.838 3.287 3.247 1.00 3.48 H new ATOM 0 HG23 ILE B 31 14.571 1.668 3.148 1.00 3.48 H new ATOM 0 HD11 ILE B 31 11.733 -1.061 4.649 1.00 2.59 H new ATOM 0 HD12 ILE B 31 10.994 0.557 4.694 1.00 2.59 H new ATOM 0 HD13 ILE B 31 12.055 0.101 3.340 1.00 2.59 H new ATOM 1668 N HIS B 32 15.826 4.166 4.581 1.00 4.75 N ATOM 1669 CA HIS B 32 16.180 5.517 4.165 1.00 5.28 C ATOM 1670 C HIS B 32 15.380 5.890 2.921 1.00 5.20 C ATOM 1671 O HIS B 32 15.377 5.155 1.934 1.00 5.08 O ATOM 1672 CB HIS B 32 17.681 5.620 3.880 1.00 5.69 C ATOM 1673 CG HIS B 32 18.144 7.017 3.607 1.00 6.15 C ATOM 1674 ND1 HIS B 32 18.980 7.712 4.455 1.00 6.55 N ATOM 1675 CD2 HIS B 32 17.882 7.853 2.575 1.00 6.53 C ATOM 1676 CE1 HIS B 32 19.211 8.913 3.958 1.00 7.12 C ATOM 1677 NE2 HIS B 32 18.556 9.024 2.818 1.00 7.14 N ATOM 0 H HIS B 32 16.385 3.431 4.147 1.00 4.75 H new ATOM 0 HA HIS B 32 15.940 6.210 4.972 1.00 5.28 H new ATOM 0 HB2 HIS B 32 18.232 5.223 4.733 1.00 5.69 H new ATOM 0 HB3 HIS B 32 17.924 4.992 3.023 1.00 5.69 H new ATOM 0 HD1 HIS B 32 19.361 7.354 5.331 1.00 6.55 H new ATOM 0 HD2 HIS B 32 17.259 7.639 1.720 1.00 6.53 H new ATOM 0 HE1 HIS B 32 19.830 9.675 4.408 1.00 7.12 H new ATOM 1686 N LEU B 33 14.704 7.033 2.973 1.00 5.34 N ATOM 1687 CA LEU B 33 13.891 7.496 1.854 1.00 5.40 C ATOM 1688 C LEU B 33 14.777 8.019 0.725 1.00 5.86 C ATOM 1689 O LEU B 33 15.309 9.127 0.794 1.00 6.33 O ATOM 1690 CB LEU B 33 12.921 8.586 2.322 1.00 5.56 C ATOM 1691 CG LEU B 33 11.658 8.753 1.470 1.00 5.46 C ATOM 1692 CD1 LEU B 33 10.702 9.741 2.122 1.00 5.60 C ATOM 1693 CD2 LEU B 33 12.011 9.203 0.058 1.00 5.63 C ATOM 0 H LEU B 33 14.703 7.657 3.780 1.00 5.34 H new ATOM 0 HA LEU B 33 13.314 6.654 1.473 1.00 5.40 H new ATOM 0 HB2 LEU B 33 12.621 8.366 3.347 1.00 5.56 H new ATOM 0 HB3 LEU B 33 13.453 9.537 2.343 1.00 5.56 H new ATOM 0 HG LEU B 33 11.163 7.784 1.403 1.00 5.46 H new ATOM 0 HD11 LEU B 33 9.811 9.847 1.503 1.00 5.60 H new ATOM 0 HD12 LEU B 33 10.417 9.375 3.108 1.00 5.60 H new ATOM 0 HD13 LEU B 33 11.192 10.710 2.222 1.00 5.60 H new ATOM 0 HD21 LEU B 33 11.098 9.314 -0.527 1.00 5.63 H new ATOM 0 HD22 LEU B 33 12.534 10.159 0.101 1.00 5.63 H new ATOM 0 HD23 LEU B 33 12.654 8.458 -0.411 1.00 5.63 H new ATOM 1705 N ILE B 34 14.928 7.201 -0.308 1.00 5.75 N ATOM 1706 CA ILE B 34 15.743 7.558 -1.463 1.00 6.18 C ATOM 1707 C ILE B 34 14.976 8.468 -2.422 1.00 6.46 C ATOM 1708 O ILE B 34 15.358 9.619 -2.633 1.00 6.97 O ATOM 1709 CB ILE B 34 16.226 6.300 -2.222 1.00 5.96 C ATOM 1710 CG1 ILE B 34 17.163 5.466 -1.339 1.00 5.72 C ATOM 1711 CG2 ILE B 34 16.922 6.684 -3.524 1.00 6.44 C ATOM 1712 CD1 ILE B 34 18.484 6.144 -1.033 1.00 6.06 C ATOM 0 H ILE B 34 14.494 6.280 -0.370 1.00 5.75 H new ATOM 0 HA ILE B 34 16.612 8.096 -1.084 1.00 6.18 H new ATOM 0 HB ILE B 34 15.352 5.696 -2.468 1.00 5.96 H new ATOM 0 HG12 ILE B 34 16.656 5.240 -0.401 1.00 5.72 H new ATOM 0 HG13 ILE B 34 17.360 4.514 -1.833 1.00 5.72 H new ATOM 0 HG21 ILE B 34 17.253 5.782 -4.040 1.00 6.44 H new ATOM 0 HG22 ILE B 34 16.227 7.232 -4.160 1.00 6.44 H new ATOM 0 HG23 ILE B 34 17.785 7.313 -3.304 1.00 6.44 H new ATOM 0 HD11 ILE B 34 19.091 5.492 -0.405 1.00 6.06 H new ATOM 0 HD12 ILE B 34 19.014 6.346 -1.964 1.00 6.06 H new ATOM 0 HD13 ILE B 34 18.299 7.082 -0.510 1.00 6.06 H new ATOM 1724 N SER B 35 13.893 7.950 -2.993 1.00 6.18 N ATOM 1725 CA SER B 35 13.090 8.727 -3.937 1.00 6.50 C ATOM 1726 C SER B 35 11.657 8.214 -4.069 1.00 6.25 C ATOM 1727 O SER B 35 11.428 7.064 -4.444 1.00 5.79 O ATOM 1728 CB SER B 35 13.755 8.721 -5.315 1.00 6.64 C ATOM 1729 OG SER B 35 13.839 7.408 -5.839 1.00 7.03 O ATOM 0 H SER B 35 13.552 7.004 -2.822 1.00 6.18 H new ATOM 0 HA SER B 35 13.037 9.741 -3.539 1.00 6.50 H new ATOM 0 HB2 SER B 35 13.187 9.352 -5.998 1.00 6.64 H new ATOM 0 HB3 SER B 35 14.754 9.150 -5.241 1.00 6.64 H new ATOM 0 HG SER B 35 14.266 7.434 -6.721 1.00 7.03 H new ATOM 1735 N LYS B 36 10.697 9.079 -3.754 1.00 6.58 N ATOM 1736 CA LYS B 36 9.285 8.731 -3.883 1.00 6.47 C ATOM 1737 C LYS B 36 8.937 8.507 -5.352 1.00 6.70 C ATOM 1738 O LYS B 36 8.698 7.377 -5.775 1.00 6.67 O ATOM 1739 CB LYS B 36 8.398 9.838 -3.305 1.00 6.78 C ATOM 1740 CG LYS B 36 8.485 9.974 -1.792 1.00 6.60 C ATOM 1741 CD LYS B 36 7.445 10.950 -1.260 1.00 6.92 C ATOM 1742 CE LYS B 36 7.628 11.214 0.227 1.00 7.04 C ATOM 1743 NZ LYS B 36 8.878 11.973 0.509 1.00 7.52 N ATOM 0 H LYS B 36 10.870 10.023 -3.409 1.00 6.58 H new ATOM 0 HA LYS B 36 9.105 7.813 -3.323 1.00 6.47 H new ATOM 0 HB2 LYS B 36 8.676 10.788 -3.761 1.00 6.78 H new ATOM 0 HB3 LYS B 36 7.362 9.642 -3.583 1.00 6.78 H new ATOM 0 HG2 LYS B 36 8.340 8.998 -1.329 1.00 6.60 H new ATOM 0 HG3 LYS B 36 9.482 10.315 -1.513 1.00 6.60 H new ATOM 0 HD2 LYS B 36 7.515 11.890 -1.808 1.00 6.92 H new ATOM 0 HD3 LYS B 36 6.447 10.551 -1.438 1.00 6.92 H new ATOM 0 HE2 LYS B 36 6.772 11.773 0.604 1.00 7.04 H new ATOM 0 HE3 LYS B 36 7.651 10.265 0.764 1.00 7.04 H new ATOM 0 HZ1 LYS B 36 8.956 12.146 1.532 1.00 7.52 H new ATOM 0 HZ2 LYS B 36 9.699 11.421 0.188 1.00 7.52 H new ATOM 0 HZ3 LYS B 36 8.853 12.882 0.005 1.00 7.52 H new ATOM 1757 N GLU B 37 8.887 9.600 -6.117 1.00 7.01 N ATOM 1758 CA GLU B 37 8.583 9.542 -7.547 1.00 7.29 C ATOM 1759 C GLU B 37 9.352 8.420 -8.244 1.00 7.12 C ATOM 1760 O GLU B 37 10.535 8.564 -8.558 1.00 7.28 O ATOM 1761 CB GLU B 37 8.912 10.884 -8.207 1.00 7.94 C ATOM 1762 CG GLU B 37 8.069 12.038 -7.687 1.00 8.15 C ATOM 1763 CD GLU B 37 8.461 13.370 -8.299 1.00 8.62 C ATOM 1764 OE1 GLU B 37 9.356 14.040 -7.740 1.00 8.92 O ATOM 1765 OE2 GLU B 37 7.875 13.744 -9.338 1.00 8.93 O ATOM 0 H GLU B 37 9.055 10.543 -5.765 1.00 7.01 H new ATOM 0 HA GLU B 37 7.518 9.333 -7.651 1.00 7.29 H new ATOM 0 HB2 GLU B 37 9.965 11.112 -8.044 1.00 7.94 H new ATOM 0 HB3 GLU B 37 8.768 10.795 -9.284 1.00 7.94 H new ATOM 0 HG2 GLU B 37 7.018 11.840 -7.899 1.00 8.15 H new ATOM 0 HG3 GLU B 37 8.169 12.097 -6.603 1.00 8.15 H new ATOM 1772 N THR B 38 8.668 7.300 -8.475 1.00 6.83 N ATOM 1773 CA THR B 38 9.262 6.143 -9.141 1.00 6.67 C ATOM 1774 C THR B 38 8.565 5.862 -10.465 1.00 7.05 C ATOM 1775 O THR B 38 8.959 4.960 -11.203 1.00 7.02 O ATOM 1776 CB THR B 38 9.159 4.880 -8.264 1.00 6.06 C ATOM 1777 OG1 THR B 38 7.812 4.713 -7.805 1.00 5.92 O ATOM 1778 CG2 THR B 38 10.107 4.957 -7.076 1.00 5.76 C ATOM 0 H THR B 38 7.692 7.170 -8.207 1.00 6.83 H new ATOM 0 HA THR B 38 10.311 6.382 -9.316 1.00 6.67 H new ATOM 0 HB THR B 38 9.444 4.021 -8.871 1.00 6.06 H new ATOM 0 HG1 THR B 38 7.758 4.949 -6.855 1.00 5.92 H new ATOM 0 HG21 THR B 38 10.012 4.052 -6.476 1.00 5.76 H new ATOM 0 HG22 THR B 38 11.132 5.049 -7.434 1.00 5.76 H new ATOM 0 HG23 THR B 38 9.856 5.825 -6.466 1.00 5.76 H new ATOM 1786 N GLY B 39 7.522 6.631 -10.754 1.00 7.47 N ATOM 1787 CA GLY B 39 6.777 6.447 -11.985 1.00 7.90 C ATOM 1788 C GLY B 39 5.595 5.520 -11.796 1.00 7.94 C ATOM 1789 O GLY B 39 4.774 5.353 -12.698 1.00 8.42 O ATOM 0 H GLY B 39 7.178 7.382 -10.155 1.00 7.47 H new ATOM 0 HA2 GLY B 39 6.426 7.414 -12.345 1.00 7.90 H new ATOM 0 HA3 GLY B 39 7.437 6.042 -12.752 1.00 7.90 H new ATOM 1793 N GLU B 40 5.517 4.905 -10.604 1.00 7.48 N ATOM 1794 CA GLU B 40 4.431 3.987 -10.276 1.00 7.53 C ATOM 1795 C GLU B 40 3.824 4.340 -8.919 1.00 7.35 C ATOM 1796 O GLU B 40 4.518 4.340 -7.900 1.00 6.94 O ATOM 1797 CB GLU B 40 4.940 2.540 -10.252 1.00 7.20 C ATOM 1798 CG GLU B 40 5.390 2.018 -11.610 1.00 7.44 C ATOM 1799 CD GLU B 40 6.825 2.392 -11.942 1.00 7.63 C ATOM 1800 OE1 GLU B 40 7.747 1.797 -11.345 1.00 7.73 O ATOM 1801 OE2 GLU B 40 7.029 3.274 -12.802 1.00 7.96 O ATOM 0 H GLU B 40 6.198 5.032 -9.855 1.00 7.48 H new ATOM 0 HA GLU B 40 3.663 4.081 -11.044 1.00 7.53 H new ATOM 0 HB2 GLU B 40 5.774 2.471 -9.553 1.00 7.20 H new ATOM 0 HB3 GLU B 40 4.149 1.894 -9.870 1.00 7.20 H new ATOM 0 HG2 GLU B 40 5.289 0.933 -11.628 1.00 7.44 H new ATOM 0 HG3 GLU B 40 4.729 2.412 -12.382 1.00 7.44 H new ATOM 1808 N ALA B 41 2.529 4.639 -8.915 1.00 7.70 N ATOM 1809 CA ALA B 41 1.821 4.991 -7.687 1.00 7.61 C ATOM 1810 C ALA B 41 1.812 3.821 -6.711 1.00 7.15 C ATOM 1811 O ALA B 41 1.605 2.674 -7.103 1.00 7.30 O ATOM 1812 CB ALA B 41 0.398 5.424 -8.008 1.00 8.20 C ATOM 0 H ALA B 41 1.946 4.645 -9.752 1.00 7.70 H new ATOM 0 HA ALA B 41 2.345 5.822 -7.215 1.00 7.61 H new ATOM 0 HB1 ALA B 41 -0.120 5.684 -7.085 1.00 8.20 H new ATOM 0 HB2 ALA B 41 0.422 6.291 -8.668 1.00 8.20 H new ATOM 0 HB3 ALA B 41 -0.128 4.607 -8.502 1.00 8.20 H new ATOM 1818 N GLY B 42 2.044 4.127 -5.439 1.00 6.68 N ATOM 1819 CA GLY B 42 2.071 3.097 -4.413 1.00 6.22 C ATOM 1820 C GLY B 42 3.437 2.449 -4.272 1.00 5.64 C ATOM 1821 O GLY B 42 3.615 1.550 -3.449 1.00 5.21 O ATOM 0 H GLY B 42 2.215 5.073 -5.098 1.00 6.68 H new ATOM 0 HA2 GLY B 42 1.780 3.533 -3.458 1.00 6.22 H new ATOM 0 HA3 GLY B 42 1.333 2.332 -4.652 1.00 6.22 H new ATOM 1825 N TRP B 43 4.402 2.903 -5.072 1.00 5.67 N ATOM 1826 CA TRP B 43 5.756 2.356 -5.028 1.00 5.17 C ATOM 1827 C TRP B 43 6.774 3.442 -4.696 1.00 5.12 C ATOM 1828 O TRP B 43 6.935 4.405 -5.444 1.00 5.51 O ATOM 1829 CB TRP B 43 6.131 1.724 -6.373 1.00 5.28 C ATOM 1830 CG TRP B 43 5.487 0.396 -6.634 1.00 5.31 C ATOM 1831 CD1 TRP B 43 4.224 0.174 -7.100 1.00 5.83 C ATOM 1832 CD2 TRP B 43 6.082 -0.895 -6.456 1.00 4.91 C ATOM 1833 NE1 TRP B 43 3.999 -1.174 -7.224 1.00 5.80 N ATOM 1834 CE2 TRP B 43 5.122 -1.852 -6.836 1.00 5.25 C ATOM 1835 CE3 TRP B 43 7.332 -1.336 -6.014 1.00 4.38 C ATOM 1836 CZ2 TRP B 43 5.375 -3.221 -6.787 1.00 5.10 C ATOM 1837 CZ3 TRP B 43 7.581 -2.695 -5.965 1.00 4.21 C ATOM 1838 CH2 TRP B 43 6.607 -3.624 -6.350 1.00 4.58 C ATOM 0 H TRP B 43 4.270 3.647 -5.757 1.00 5.67 H new ATOM 0 HA TRP B 43 5.773 1.594 -4.248 1.00 5.17 H new ATOM 0 HB2 TRP B 43 5.855 2.411 -7.173 1.00 5.28 H new ATOM 0 HB3 TRP B 43 7.214 1.604 -6.415 1.00 5.28 H new ATOM 0 HD1 TRP B 43 3.507 0.946 -7.337 1.00 5.83 H new ATOM 0 HE1 TRP B 43 3.133 -1.602 -7.553 1.00 5.80 H new ATOM 0 HE3 TRP B 43 8.091 -0.627 -5.716 1.00 4.38 H new ATOM 0 HZ2 TRP B 43 4.625 -3.939 -7.084 1.00 5.10 H new ATOM 0 HZ3 TRP B 43 8.544 -3.046 -5.624 1.00 4.21 H new ATOM 0 HH2 TRP B 43 6.833 -4.679 -6.301 1.00 4.58 H new ATOM 1849 N TRP B 44 7.456 3.281 -3.558 1.00 4.72 N ATOM 1850 CA TRP B 44 8.485 4.223 -3.125 1.00 4.75 C ATOM 1851 C TRP B 44 9.850 3.561 -3.237 1.00 4.41 C ATOM 1852 O TRP B 44 9.945 2.334 -3.294 1.00 3.96 O ATOM 1853 CB TRP B 44 8.243 4.651 -1.675 1.00 4.63 C ATOM 1854 CG TRP B 44 7.285 5.793 -1.527 1.00 5.05 C ATOM 1855 CD1 TRP B 44 6.521 6.366 -2.504 1.00 5.56 C ATOM 1856 CD2 TRP B 44 6.994 6.506 -0.320 1.00 5.06 C ATOM 1857 NE1 TRP B 44 5.773 7.391 -1.976 1.00 5.87 N ATOM 1858 CE2 TRP B 44 6.046 7.496 -0.636 1.00 5.57 C ATOM 1859 CE3 TRP B 44 7.444 6.401 0.999 1.00 4.73 C ATOM 1860 CZ2 TRP B 44 5.539 8.375 0.318 1.00 5.73 C ATOM 1861 CZ3 TRP B 44 6.942 7.274 1.946 1.00 4.91 C ATOM 1862 CH2 TRP B 44 5.998 8.250 1.601 1.00 5.40 C ATOM 0 H TRP B 44 7.310 2.500 -2.918 1.00 4.72 H new ATOM 0 HA TRP B 44 8.447 5.107 -3.762 1.00 4.75 H new ATOM 0 HB2 TRP B 44 7.863 3.797 -1.114 1.00 4.63 H new ATOM 0 HB3 TRP B 44 9.196 4.930 -1.226 1.00 4.63 H new ATOM 0 HD1 TRP B 44 6.507 6.059 -3.539 1.00 5.56 H new ATOM 0 HE1 TRP B 44 5.121 7.978 -2.496 1.00 5.87 H new ATOM 0 HE3 TRP B 44 8.171 5.651 1.274 1.00 4.73 H new ATOM 0 HZ2 TRP B 44 4.810 9.128 0.055 1.00 5.73 H new ATOM 0 HZ3 TRP B 44 7.283 7.203 2.968 1.00 4.91 H new ATOM 0 HH2 TRP B 44 5.625 8.918 2.364 1.00 5.40 H new ATOM 1873 N LYS B 45 10.908 4.370 -3.266 1.00 4.69 N ATOM 1874 CA LYS B 45 12.260 3.842 -3.374 1.00 4.50 C ATOM 1875 C LYS B 45 13.062 4.176 -2.122 1.00 4.49 C ATOM 1876 O LYS B 45 13.101 5.327 -1.684 1.00 4.93 O ATOM 1877 CB LYS B 45 12.959 4.411 -4.612 1.00 4.91 C ATOM 1878 CG LYS B 45 14.215 3.650 -5.008 1.00 4.77 C ATOM 1879 CD LYS B 45 14.961 4.348 -6.134 1.00 5.23 C ATOM 1880 CE LYS B 45 16.137 3.517 -6.621 1.00 5.18 C ATOM 1881 NZ LYS B 45 16.986 4.266 -7.587 1.00 5.33 N ATOM 0 H LYS B 45 10.852 5.387 -3.216 1.00 4.69 H new ATOM 0 HA LYS B 45 12.199 2.758 -3.473 1.00 4.50 H new ATOM 0 HB2 LYS B 45 12.261 4.403 -5.449 1.00 4.91 H new ATOM 0 HB3 LYS B 45 13.220 5.453 -4.425 1.00 4.91 H new ATOM 0 HG2 LYS B 45 14.870 3.553 -4.142 1.00 4.77 H new ATOM 0 HG3 LYS B 45 13.946 2.641 -5.320 1.00 4.77 H new ATOM 0 HD2 LYS B 45 14.278 4.536 -6.963 1.00 5.23 H new ATOM 0 HD3 LYS B 45 15.318 5.318 -5.789 1.00 5.23 H new ATOM 0 HE2 LYS B 45 16.742 3.210 -5.768 1.00 5.18 H new ATOM 0 HE3 LYS B 45 15.767 2.607 -7.093 1.00 5.18 H new ATOM 0 HZ1 LYS B 45 17.776 3.664 -7.894 1.00 5.33 H new ATOM 0 HZ2 LYS B 45 16.415 4.537 -8.413 1.00 5.33 H new ATOM 0 HZ3 LYS B 45 17.360 5.122 -7.129 1.00 5.33 H new ATOM 1895 N GLY B 46 13.693 3.158 -1.554 1.00 4.06 N ATOM 1896 CA GLY B 46 14.485 3.353 -0.355 1.00 4.14 C ATOM 1897 C GLY B 46 15.752 2.527 -0.367 1.00 4.03 C ATOM 1898 O GLY B 46 15.972 1.737 -1.286 1.00 3.73 O ATOM 0 H GLY B 46 13.671 2.199 -1.902 1.00 4.06 H new ATOM 0 HA2 GLY B 46 14.742 4.408 -0.259 1.00 4.14 H new ATOM 0 HA3 GLY B 46 13.889 3.089 0.519 1.00 4.14 H new ATOM 1902 N GLU B 47 16.587 2.708 0.651 1.00 4.35 N ATOM 1903 CA GLU B 47 17.835 1.962 0.755 1.00 4.42 C ATOM 1904 C GLU B 47 17.921 1.275 2.108 1.00 4.29 C ATOM 1905 O GLU B 47 17.623 1.870 3.145 1.00 4.48 O ATOM 1906 CB GLU B 47 19.037 2.879 0.533 1.00 5.05 C ATOM 1907 CG GLU B 47 20.339 2.131 0.295 1.00 5.29 C ATOM 1908 CD GLU B 47 21.453 3.044 -0.180 1.00 5.65 C ATOM 1909 OE1 GLU B 47 21.519 3.315 -1.398 1.00 6.02 O ATOM 1910 OE2 GLU B 47 22.258 3.490 0.665 1.00 5.74 O ATOM 0 H GLU B 47 16.422 3.364 1.414 1.00 4.35 H new ATOM 0 HA GLU B 47 17.850 1.199 -0.024 1.00 4.42 H new ATOM 0 HB2 GLU B 47 18.837 3.525 -0.322 1.00 5.05 H new ATOM 0 HB3 GLU B 47 19.154 3.527 1.401 1.00 5.05 H new ATOM 0 HG2 GLU B 47 20.646 1.638 1.218 1.00 5.29 H new ATOM 0 HG3 GLU B 47 20.175 1.348 -0.445 1.00 5.29 H new ATOM 1917 N LEU B 48 18.334 0.017 2.079 1.00 4.02 N ATOM 1918 CA LEU B 48 18.481 -0.784 3.284 1.00 3.99 C ATOM 1919 C LEU B 48 19.868 -1.421 3.329 1.00 4.21 C ATOM 1920 O LEU B 48 20.602 -1.360 2.354 1.00 4.01 O ATOM 1921 CB LEU B 48 17.375 -1.839 3.382 1.00 3.43 C ATOM 1922 CG LEU B 48 17.329 -2.633 4.693 1.00 3.46 C ATOM 1923 CD1 LEU B 48 17.190 -1.697 5.886 1.00 3.78 C ATOM 1924 CD2 LEU B 48 16.187 -3.637 4.666 1.00 2.98 C ATOM 0 H LEU B 48 18.576 -0.477 1.220 1.00 4.02 H new ATOM 0 HA LEU B 48 18.381 -0.130 4.150 1.00 3.99 H new ATOM 0 HB2 LEU B 48 16.413 -1.345 3.244 1.00 3.43 H new ATOM 0 HB3 LEU B 48 17.494 -2.541 2.557 1.00 3.43 H new ATOM 0 HG LEU B 48 18.267 -3.179 4.796 1.00 3.46 H new ATOM 0 HD11 LEU B 48 17.159 -2.282 6.805 1.00 3.78 H new ATOM 0 HD12 LEU B 48 18.042 -1.017 5.916 1.00 3.78 H new ATOM 0 HD13 LEU B 48 16.269 -1.121 5.791 1.00 3.78 H new ATOM 0 HD21 LEU B 48 16.168 -4.192 5.604 1.00 2.98 H new ATOM 0 HD22 LEU B 48 15.242 -3.110 4.538 1.00 2.98 H new ATOM 0 HD23 LEU B 48 16.331 -4.330 3.837 1.00 2.98 H new ATOM 1936 N ASN B 49 20.194 -2.012 4.484 1.00 4.70 N ATOM 1937 CA ASN B 49 21.504 -2.634 4.758 1.00 5.05 C ATOM 1938 C ASN B 49 22.351 -2.967 3.514 1.00 5.24 C ATOM 1939 O ASN B 49 22.601 -4.137 3.220 1.00 5.39 O ATOM 1940 CB ASN B 49 21.283 -3.919 5.565 1.00 4.80 C ATOM 1941 CG ASN B 49 20.743 -3.645 6.957 1.00 4.86 C ATOM 1942 OD1 ASN B 49 19.422 -3.661 7.097 1.00 5.32 O flip ATOM 1943 ND2 ASN B 49 21.506 -3.425 7.898 1.00 4.62 N flip ATOM 0 H ASN B 49 19.548 -2.075 5.271 1.00 4.70 H new ATOM 0 HA ASN B 49 22.074 -1.886 5.309 1.00 5.05 H new ATOM 0 HB2 ASN B 49 20.588 -4.565 5.030 1.00 4.80 H new ATOM 0 HB3 ASN B 49 22.225 -4.461 5.644 1.00 4.80 H new ATOM 0 HD21 ASN B 49 22.515 -3.422 7.747 1.00 4.62 H new ATOM 0 HD22 ASN B 49 21.129 -3.246 8.829 1.00 4.62 H new ATOM 1950 N GLY B 50 22.783 -1.932 2.790 1.00 5.30 N ATOM 1951 CA GLY B 50 23.645 -2.123 1.626 1.00 5.53 C ATOM 1952 C GLY B 50 22.909 -2.410 0.323 1.00 5.10 C ATOM 1953 O GLY B 50 23.522 -2.378 -0.745 1.00 5.29 O ATOM 0 H GLY B 50 22.551 -0.959 2.989 1.00 5.30 H new ATOM 0 HA2 GLY B 50 24.254 -1.229 1.493 1.00 5.53 H new ATOM 0 HA3 GLY B 50 24.328 -2.947 1.830 1.00 5.53 H new ATOM 1957 N LYS B 51 21.611 -2.691 0.392 1.00 4.57 N ATOM 1958 CA LYS B 51 20.828 -2.977 -0.810 1.00 4.17 C ATOM 1959 C LYS B 51 19.713 -1.954 -1.001 1.00 3.96 C ATOM 1960 O LYS B 51 18.966 -1.657 -0.071 1.00 3.78 O ATOM 1961 CB LYS B 51 20.228 -4.384 -0.729 1.00 3.78 C ATOM 1962 CG LYS B 51 21.267 -5.497 -0.772 1.00 4.06 C ATOM 1963 CD LYS B 51 21.884 -5.758 0.596 1.00 4.39 C ATOM 1964 CE LYS B 51 21.123 -6.830 1.364 1.00 4.78 C ATOM 1965 NZ LYS B 51 19.700 -6.454 1.593 1.00 5.33 N ATOM 0 H LYS B 51 21.080 -2.727 1.262 1.00 4.57 H new ATOM 0 HA LYS B 51 21.499 -2.917 -1.667 1.00 4.17 H new ATOM 0 HB2 LYS B 51 19.653 -4.471 0.193 1.00 3.78 H new ATOM 0 HB3 LYS B 51 19.529 -4.519 -1.555 1.00 3.78 H new ATOM 0 HG2 LYS B 51 20.803 -6.412 -1.140 1.00 4.06 H new ATOM 0 HG3 LYS B 51 22.053 -5.232 -1.479 1.00 4.06 H new ATOM 0 HD2 LYS B 51 22.922 -6.066 0.474 1.00 4.39 H new ATOM 0 HD3 LYS B 51 21.892 -4.834 1.174 1.00 4.39 H new ATOM 0 HE2 LYS B 51 21.165 -7.769 0.812 1.00 4.78 H new ATOM 0 HE3 LYS B 51 21.611 -7.002 2.324 1.00 4.78 H new ATOM 0 HZ1 LYS B 51 19.257 -7.145 2.232 1.00 5.33 H new ATOM 0 HZ2 LYS B 51 19.656 -5.507 2.022 1.00 5.33 H new ATOM 0 HZ3 LYS B 51 19.192 -6.447 0.685 1.00 5.33 H new ATOM 1979 N GLU B 52 19.601 -1.435 -2.221 1.00 4.08 N ATOM 1980 CA GLU B 52 18.575 -0.453 -2.569 1.00 4.05 C ATOM 1981 C GLU B 52 17.511 -1.116 -3.439 1.00 3.71 C ATOM 1982 O GLU B 52 17.798 -2.078 -4.154 1.00 3.93 O ATOM 1983 CB GLU B 52 19.210 0.737 -3.297 1.00 4.59 C ATOM 1984 CG GLU B 52 18.221 1.818 -3.700 1.00 4.83 C ATOM 1985 CD GLU B 52 18.909 3.048 -4.265 1.00 5.32 C ATOM 1986 OE1 GLU B 52 19.164 3.078 -5.487 1.00 5.49 O ATOM 1987 OE2 GLU B 52 19.197 3.979 -3.483 1.00 5.79 O ATOM 0 H GLU B 52 20.217 -1.682 -2.996 1.00 4.08 H new ATOM 0 HA GLU B 52 18.103 -0.081 -1.659 1.00 4.05 H new ATOM 0 HB2 GLU B 52 19.972 1.178 -2.654 1.00 4.59 H new ATOM 0 HB3 GLU B 52 19.718 0.374 -4.190 1.00 4.59 H new ATOM 0 HG2 GLU B 52 17.531 1.417 -4.443 1.00 4.83 H new ATOM 0 HG3 GLU B 52 17.625 2.104 -2.833 1.00 4.83 H new ATOM 1994 N GLY B 53 16.278 -0.599 -3.379 1.00 3.32 N ATOM 1995 CA GLY B 53 15.213 -1.157 -4.195 1.00 3.12 C ATOM 1996 C GLY B 53 13.892 -0.427 -4.041 1.00 3.18 C ATOM 1997 O GLY B 53 13.814 0.595 -3.358 1.00 3.35 O ATOM 0 H GLY B 53 16.005 0.185 -2.787 1.00 3.32 H new ATOM 0 HA2 GLY B 53 15.515 -1.130 -5.242 1.00 3.12 H new ATOM 0 HA3 GLY B 53 15.074 -2.205 -3.931 1.00 3.12 H new ATOM 2001 N VAL B 54 12.851 -0.964 -4.682 1.00 3.17 N ATOM 2002 CA VAL B 54 11.517 -0.368 -4.632 1.00 3.38 C ATOM 2003 C VAL B 54 10.555 -1.282 -3.885 1.00 3.02 C ATOM 2004 O VAL B 54 10.715 -2.503 -3.905 1.00 2.70 O ATOM 2005 CB VAL B 54 10.970 -0.092 -6.048 1.00 3.83 C ATOM 2006 CG1 VAL B 54 11.817 0.957 -6.757 1.00 4.30 C ATOM 2007 CG2 VAL B 54 10.911 -1.379 -6.862 1.00 3.70 C ATOM 0 H VAL B 54 12.909 -1.814 -5.243 1.00 3.17 H new ATOM 0 HA VAL B 54 11.602 0.582 -4.103 1.00 3.38 H new ATOM 0 HB VAL B 54 9.956 0.297 -5.953 1.00 3.83 H new ATOM 0 HG11 VAL B 54 11.414 1.137 -7.754 1.00 4.30 H new ATOM 0 HG12 VAL B 54 11.800 1.885 -6.186 1.00 4.30 H new ATOM 0 HG13 VAL B 54 12.844 0.601 -6.839 1.00 4.30 H new ATOM 0 HG21 VAL B 54 10.523 -1.163 -7.857 1.00 3.70 H new ATOM 0 HG22 VAL B 54 11.912 -1.802 -6.947 1.00 3.70 H new ATOM 0 HG23 VAL B 54 10.256 -2.094 -6.365 1.00 3.70 H new ATOM 2017 N PHE B 55 9.554 -0.694 -3.223 1.00 3.13 N ATOM 2018 CA PHE B 55 8.589 -1.489 -2.473 1.00 2.90 C ATOM 2019 C PHE B 55 7.153 -0.979 -2.627 1.00 3.35 C ATOM 2020 O PHE B 55 6.910 0.228 -2.661 1.00 3.72 O ATOM 2021 CB PHE B 55 8.972 -1.507 -0.994 1.00 2.46 C ATOM 2022 CG PHE B 55 8.834 -0.169 -0.318 1.00 2.71 C ATOM 2023 CD1 PHE B 55 9.874 0.749 -0.347 1.00 3.05 C ATOM 2024 CD2 PHE B 55 7.666 0.170 0.346 1.00 2.88 C ATOM 2025 CE1 PHE B 55 9.749 1.978 0.274 1.00 3.42 C ATOM 2026 CE2 PHE B 55 7.536 1.396 0.968 1.00 3.20 C ATOM 2027 CZ PHE B 55 8.578 2.302 0.932 1.00 3.42 C ATOM 0 H PHE B 55 9.395 0.313 -3.193 1.00 3.13 H new ATOM 0 HA PHE B 55 8.618 -2.498 -2.884 1.00 2.90 H new ATOM 0 HB2 PHE B 55 8.347 -2.233 -0.474 1.00 2.46 H new ATOM 0 HB3 PHE B 55 10.003 -1.848 -0.899 1.00 2.46 H new ATOM 0 HD1 PHE B 55 10.791 0.501 -0.860 1.00 3.05 H new ATOM 0 HD2 PHE B 55 6.847 -0.533 0.377 1.00 2.88 H new ATOM 0 HE1 PHE B 55 10.566 2.684 0.245 1.00 3.42 H new ATOM 0 HE2 PHE B 55 6.620 1.646 1.482 1.00 3.20 H new ATOM 0 HZ PHE B 55 8.478 3.262 1.417 1.00 3.42 H new ATOM 2037 N PRO B 56 6.188 -1.917 -2.725 1.00 3.43 N ATOM 2038 CA PRO B 56 4.763 -1.626 -2.840 1.00 3.90 C ATOM 2039 C PRO B 56 4.074 -1.665 -1.483 1.00 3.87 C ATOM 2040 O PRO B 56 4.690 -1.986 -0.467 1.00 3.45 O ATOM 2041 CB PRO B 56 4.260 -2.774 -3.700 1.00 3.97 C ATOM 2042 CG PRO B 56 5.138 -3.933 -3.346 1.00 3.68 C ATOM 2043 CD PRO B 56 6.418 -3.372 -2.761 1.00 3.17 C ATOM 0 HA PRO B 56 4.568 -0.635 -3.249 1.00 3.90 H new ATOM 0 HB2 PRO B 56 3.213 -2.994 -3.493 1.00 3.97 H new ATOM 0 HB3 PRO B 56 4.331 -2.534 -4.761 1.00 3.97 H new ATOM 0 HG2 PRO B 56 4.641 -4.585 -2.627 1.00 3.68 H new ATOM 0 HG3 PRO B 56 5.352 -4.536 -4.229 1.00 3.68 H new ATOM 0 HD2 PRO B 56 6.609 -3.770 -1.765 1.00 3.17 H new ATOM 0 HD3 PRO B 56 7.282 -3.624 -3.376 1.00 3.17 H new ATOM 2051 N ASP B 57 2.785 -1.309 -1.493 1.00 4.36 N ATOM 2052 CA ASP B 57 1.937 -1.379 -0.306 1.00 4.47 C ATOM 2053 C ASP B 57 2.105 -0.227 0.672 1.00 4.41 C ATOM 2054 O ASP B 57 1.267 -0.065 1.561 1.00 4.40 O ATOM 2055 CB ASP B 57 2.192 -2.693 0.435 1.00 5.09 C ATOM 2056 CG ASP B 57 2.152 -3.898 -0.488 1.00 5.56 C ATOM 2057 OD1 ASP B 57 1.072 -4.181 -1.049 1.00 5.85 O ATOM 2058 OD2 ASP B 57 3.200 -4.555 -0.655 1.00 5.83 O ATOM 0 H ASP B 57 2.304 -0.965 -2.324 1.00 4.36 H new ATOM 0 HA ASP B 57 0.915 -1.316 -0.681 1.00 4.47 H new ATOM 0 HB2 ASP B 57 3.164 -2.647 0.925 1.00 5.09 H new ATOM 0 HB3 ASP B 57 1.445 -2.815 1.219 1.00 5.09 H new ATOM 2063 N ASN B 58 3.148 0.573 0.539 1.00 4.46 N ATOM 2064 CA ASN B 58 3.381 1.667 1.473 1.00 4.51 C ATOM 2065 C ASN B 58 3.447 1.102 2.888 1.00 3.97 C ATOM 2066 O ASN B 58 2.498 1.212 3.665 1.00 4.05 O ATOM 2067 CB ASN B 58 2.281 2.728 1.358 1.00 4.96 C ATOM 2068 CG ASN B 58 2.184 3.311 -0.039 1.00 5.23 C ATOM 2069 OD1 ASN B 58 3.179 3.396 -0.760 1.00 5.40 O ATOM 2070 ND2 ASN B 58 0.981 3.714 -0.431 1.00 5.67 N ATOM 0 H ASN B 58 3.845 0.489 -0.201 1.00 4.46 H new ATOM 0 HA ASN B 58 4.327 2.153 1.233 1.00 4.51 H new ATOM 0 HB2 ASN B 58 1.323 2.286 1.631 1.00 4.96 H new ATOM 0 HB3 ASN B 58 2.477 3.529 2.070 1.00 4.96 H new ATOM 0 HD21 ASN B 58 0.855 4.112 -1.362 1.00 5.67 H new ATOM 0 HD22 ASN B 58 0.183 3.625 0.198 1.00 5.67 H new ATOM 2077 N PHE B 59 4.585 0.485 3.202 1.00 3.50 N ATOM 2078 CA PHE B 59 4.793 -0.143 4.503 1.00 3.01 C ATOM 2079 C PHE B 59 5.689 0.691 5.410 1.00 2.75 C ATOM 2080 O PHE B 59 6.089 0.227 6.474 1.00 2.44 O ATOM 2081 CB PHE B 59 5.420 -1.530 4.317 1.00 2.72 C ATOM 2082 CG PHE B 59 4.435 -2.607 3.946 1.00 3.03 C ATOM 2083 CD1 PHE B 59 3.271 -2.784 4.678 1.00 3.42 C ATOM 2084 CD2 PHE B 59 4.678 -3.449 2.871 1.00 3.42 C ATOM 2085 CE1 PHE B 59 2.370 -3.777 4.345 1.00 3.86 C ATOM 2086 CE2 PHE B 59 3.780 -4.444 2.535 1.00 3.79 C ATOM 2087 CZ PHE B 59 2.624 -4.608 3.273 1.00 3.89 C ATOM 0 H PHE B 59 5.380 0.407 2.568 1.00 3.50 H new ATOM 0 HA PHE B 59 3.816 -0.227 4.980 1.00 3.01 H new ATOM 0 HB2 PHE B 59 6.185 -1.470 3.543 1.00 2.72 H new ATOM 0 HB3 PHE B 59 5.923 -1.816 5.241 1.00 2.72 H new ATOM 0 HD1 PHE B 59 3.066 -2.138 5.519 1.00 3.42 H new ATOM 0 HD2 PHE B 59 5.580 -3.326 2.290 1.00 3.42 H new ATOM 0 HE1 PHE B 59 1.467 -3.903 4.924 1.00 3.86 H new ATOM 0 HE2 PHE B 59 3.982 -5.093 1.696 1.00 3.79 H new ATOM 0 HZ PHE B 59 1.921 -5.385 3.012 1.00 3.89 H new ATOM 2097 N ALA B 60 6.005 1.917 4.999 1.00 3.02 N ATOM 2098 CA ALA B 60 6.877 2.769 5.802 1.00 3.01 C ATOM 2099 C ALA B 60 6.334 4.188 5.938 1.00 3.51 C ATOM 2100 O ALA B 60 5.825 4.764 4.976 1.00 3.89 O ATOM 2101 CB ALA B 60 8.275 2.789 5.204 1.00 2.92 C ATOM 0 H ALA B 60 5.677 2.337 4.129 1.00 3.02 H new ATOM 0 HA ALA B 60 6.917 2.346 6.806 1.00 3.01 H new ATOM 0 HB1 ALA B 60 8.920 3.427 5.808 1.00 2.92 H new ATOM 0 HB2 ALA B 60 8.678 1.776 5.188 1.00 2.92 H new ATOM 0 HB3 ALA B 60 8.230 3.178 4.187 1.00 2.92 H new ATOM 2107 N VAL B 61 6.452 4.743 7.144 1.00 3.59 N ATOM 2108 CA VAL B 61 5.968 6.090 7.428 1.00 4.08 C ATOM 2109 C VAL B 61 7.121 7.042 7.735 1.00 4.32 C ATOM 2110 O VAL B 61 8.038 6.692 8.476 1.00 4.19 O ATOM 2111 CB VAL B 61 4.979 6.084 8.613 1.00 4.13 C ATOM 2112 CG1 VAL B 61 5.641 5.535 9.871 1.00 3.91 C ATOM 2113 CG2 VAL B 61 4.419 7.480 8.858 1.00 4.64 C ATOM 0 H VAL B 61 6.881 4.276 7.943 1.00 3.59 H new ATOM 0 HA VAL B 61 5.453 6.440 6.534 1.00 4.08 H new ATOM 0 HB VAL B 61 4.148 5.427 8.356 1.00 4.13 H new ATOM 0 HG11 VAL B 61 4.924 5.541 10.692 1.00 3.91 H new ATOM 0 HG12 VAL B 61 5.976 4.514 9.690 1.00 3.91 H new ATOM 0 HG13 VAL B 61 6.497 6.157 10.133 1.00 3.91 H new ATOM 0 HG21 VAL B 61 3.724 7.451 9.698 1.00 4.64 H new ATOM 0 HG22 VAL B 61 5.236 8.165 9.086 1.00 4.64 H new ATOM 0 HG23 VAL B 61 3.896 7.824 7.966 1.00 4.64 H new ATOM 2123 N GLN B 62 7.070 8.254 7.163 1.00 4.79 N ATOM 2124 CA GLN B 62 8.113 9.253 7.385 1.00 5.14 C ATOM 2125 C GLN B 62 8.292 9.532 8.876 1.00 5.36 C ATOM 2126 O GLN B 62 7.325 9.522 9.639 1.00 5.56 O ATOM 2127 CB GLN B 62 7.764 10.551 6.648 1.00 5.63 C ATOM 2128 CG GLN B 62 8.797 11.660 6.809 1.00 6.02 C ATOM 2129 CD GLN B 62 10.083 11.385 6.051 1.00 6.30 C ATOM 2130 OE1 GLN B 62 11.030 10.822 6.595 1.00 6.28 O ATOM 2131 NE2 GLN B 62 10.119 11.785 4.785 1.00 6.72 N ATOM 0 H GLN B 62 6.318 8.561 6.546 1.00 4.79 H new ATOM 0 HA GLN B 62 9.051 8.859 6.994 1.00 5.14 H new ATOM 0 HB2 GLN B 62 7.645 10.332 5.587 1.00 5.63 H new ATOM 0 HB3 GLN B 62 6.801 10.912 7.009 1.00 5.63 H new ATOM 0 HG2 GLN B 62 8.370 12.600 6.461 1.00 6.02 H new ATOM 0 HG3 GLN B 62 9.025 11.786 7.867 1.00 6.02 H new ATOM 0 HE21 GLN B 62 9.309 12.249 4.373 1.00 6.72 H new ATOM 0 HE22 GLN B 62 10.957 11.628 4.224 1.00 6.72 H new ATOM 2140 N ILE B 63 9.537 9.779 9.283 1.00 5.39 N ATOM 2141 CA ILE B 63 9.851 10.064 10.681 1.00 5.68 C ATOM 2142 C ILE B 63 10.858 11.205 10.796 1.00 6.23 C ATOM 2143 O ILE B 63 11.060 11.761 11.876 1.00 6.54 O ATOM 2144 CB ILE B 63 10.413 8.821 11.403 1.00 5.55 C ATOM 2145 CG1 ILE B 63 11.621 8.260 10.647 1.00 5.23 C ATOM 2146 CG2 ILE B 63 9.330 7.760 11.553 1.00 5.71 C ATOM 2147 CD1 ILE B 63 12.305 7.110 11.358 1.00 5.25 C ATOM 0 H ILE B 63 10.346 9.787 8.662 1.00 5.39 H new ATOM 0 HA ILE B 63 8.916 10.356 11.159 1.00 5.68 H new ATOM 0 HB ILE B 63 10.743 9.118 12.398 1.00 5.55 H new ATOM 0 HG12 ILE B 63 11.298 7.925 9.661 1.00 5.23 H new ATOM 0 HG13 ILE B 63 12.344 9.060 10.491 1.00 5.23 H new ATOM 0 HG21 ILE B 63 9.742 6.890 12.064 1.00 5.71 H new ATOM 0 HG22 ILE B 63 8.502 8.165 12.135 1.00 5.71 H new ATOM 0 HG23 ILE B 63 8.970 7.465 10.567 1.00 5.71 H new ATOM 0 HD11 ILE B 63 13.151 6.766 10.763 1.00 5.25 H new ATOM 0 HD12 ILE B 63 12.660 7.444 12.333 1.00 5.25 H new ATOM 0 HD13 ILE B 63 11.597 6.292 11.491 1.00 5.25 H new ATOM 2159 N SER B 64 11.487 11.547 9.674 1.00 6.41 N ATOM 2160 CA SER B 64 12.473 12.621 9.638 1.00 6.97 C ATOM 2161 C SER B 64 12.248 13.517 8.423 1.00 7.20 C ATOM 2162 O SER B 64 12.554 13.074 7.297 1.00 7.43 O ATOM 2163 CB SER B 64 13.890 12.041 9.611 1.00 7.23 C ATOM 2164 OG SER B 64 14.132 11.229 10.747 1.00 7.19 O ATOM 2165 OXT SER B 64 11.763 14.653 8.606 1.00 7.37 O ATOM 0 H SER B 64 11.329 11.093 8.774 1.00 6.41 H new ATOM 0 HA SER B 64 12.357 13.224 10.539 1.00 6.97 H new ATOM 0 HB2 SER B 64 14.028 11.453 8.704 1.00 7.23 H new ATOM 0 HB3 SER B 64 14.617 12.852 9.579 1.00 7.23 H new ATOM 0 HG SER B 64 15.043 10.870 10.704 1.00 7.19 H new TER 2171 SER B 64