USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 379 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 0.0187 USER MOD Set 1.2: A 51 ASN : amide:sc= 0 K(o=0.019,f=-0.79) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.0999 USER MOD Single : A 10 THR OG1 : rot 44:sc= 0.0675 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.651 K(o=0.65,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0917) USER MOD Single : A 30 THR OG1 : rot 150:sc= -0.0342 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.391! X(o=-0.39!,f=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 61:sc= 1.18 USER MOD Single : A 58 GLN : amide:sc= -0.0586 X(o=-0.059,f=-0.07) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -9.096 4.872 -1.242 1.00 1.05 N ATOM 2 CA VAL A 5 -9.810 6.160 -1.113 1.00 1.18 C ATOM 3 C VAL A 5 -10.617 6.181 0.179 1.00 1.64 C ATOM 4 O VAL A 5 -11.359 5.249 0.473 1.00 2.42 O ATOM 5 CB VAL A 5 -10.756 6.397 -2.310 1.00 1.97 C ATOM 6 CG1 VAL A 5 -11.447 7.748 -2.199 1.00 2.80 C ATOM 7 CG2 VAL A 5 -9.994 6.294 -3.622 1.00 2.59 C ATOM 0 HA VAL A 5 -9.065 6.955 -1.097 1.00 1.18 H new ATOM 0 HB VAL A 5 -11.523 5.622 -2.293 1.00 1.97 H new ATOM 0 HG11 VAL A 5 -12.108 7.890 -3.054 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -12.031 7.783 -1.279 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -10.698 8.540 -2.184 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -10.677 6.464 -4.454 1.00 2.59 H new ATOM 0 HG22 VAL A 5 -9.203 7.044 -3.643 1.00 2.59 H new ATOM 0 HG23 VAL A 5 -9.555 5.300 -3.711 1.00 2.59 H new ATOM 17 N GLN A 6 -10.461 7.239 0.962 1.00 1.99 N ATOM 18 CA GLN A 6 -11.159 7.347 2.235 1.00 2.85 C ATOM 19 C GLN A 6 -12.609 7.767 2.016 1.00 2.54 C ATOM 20 O GLN A 6 -12.897 8.925 1.716 1.00 3.16 O ATOM 21 CB GLN A 6 -10.436 8.336 3.149 1.00 3.91 C ATOM 22 CG GLN A 6 -11.066 8.464 4.529 1.00 4.91 C ATOM 23 CD GLN A 6 -10.337 9.454 5.415 1.00 6.00 C ATOM 24 OE1 GLN A 6 -9.409 9.094 6.137 1.00 6.69 O ATOM 25 NE2 GLN A 6 -10.759 10.707 5.377 1.00 6.45 N ATOM 0 H GLN A 6 -9.860 8.032 0.739 1.00 1.99 H new ATOM 0 HA GLN A 6 -11.161 6.370 2.719 1.00 2.85 H new ATOM 0 HB2 GLN A 6 -9.398 8.023 3.260 1.00 3.91 H new ATOM 0 HB3 GLN A 6 -10.424 9.316 2.672 1.00 3.91 H new ATOM 0 HG2 GLN A 6 -12.105 8.775 4.422 1.00 4.91 H new ATOM 0 HG3 GLN A 6 -11.074 7.487 5.012 1.00 4.91 H new ATOM 0 HE21 GLN A 6 -11.532 10.966 4.765 1.00 6.45 H new ATOM 0 HE22 GLN A 6 -10.311 11.414 5.960 1.00 6.45 H new ATOM 34 N LEU A 7 -13.509 6.800 2.146 1.00 1.99 N ATOM 35 CA LEU A 7 -14.934 7.029 1.938 1.00 1.82 C ATOM 36 C LEU A 7 -15.515 7.904 3.045 1.00 2.14 C ATOM 37 O LEU A 7 -15.954 9.025 2.793 1.00 2.82 O ATOM 38 CB LEU A 7 -15.677 5.693 1.879 1.00 1.60 C ATOM 39 CG LEU A 7 -15.195 4.728 0.793 1.00 1.56 C ATOM 40 CD1 LEU A 7 -15.965 3.420 0.868 1.00 1.63 C ATOM 41 CD2 LEU A 7 -15.343 5.353 -0.587 1.00 2.29 C ATOM 0 H LEU A 7 -13.274 5.840 2.397 1.00 1.99 H new ATOM 0 HA LEU A 7 -15.061 7.551 0.990 1.00 1.82 H new ATOM 0 HB2 LEU A 7 -15.585 5.201 2.847 1.00 1.60 H new ATOM 0 HB3 LEU A 7 -16.737 5.891 1.722 1.00 1.60 H new ATOM 0 HG LEU A 7 -14.138 4.521 0.963 1.00 1.56 H new ATOM 0 HD11 LEU A 7 -15.611 2.744 0.089 1.00 1.63 H new ATOM 0 HD12 LEU A 7 -15.809 2.962 1.845 1.00 1.63 H new ATOM 0 HD13 LEU A 7 -17.028 3.615 0.724 1.00 1.63 H new ATOM 0 HD21 LEU A 7 -14.995 4.650 -1.344 1.00 2.29 H new ATOM 0 HD22 LEU A 7 -16.391 5.591 -0.768 1.00 2.29 H new ATOM 0 HD23 LEU A 7 -14.749 6.266 -0.639 1.00 2.29 H new ATOM 53 N SER A 8 -15.519 7.388 4.265 1.00 2.20 N ATOM 54 CA SER A 8 -15.999 8.147 5.409 1.00 2.72 C ATOM 55 C SER A 8 -15.515 7.525 6.719 1.00 2.76 C ATOM 56 O SER A 8 -14.645 8.078 7.391 1.00 3.10 O ATOM 57 CB SER A 8 -17.528 8.239 5.385 1.00 3.21 C ATOM 58 OG SER A 8 -18.113 6.971 5.129 1.00 3.77 O ATOM 0 H SER A 8 -15.195 6.447 4.488 1.00 2.20 H new ATOM 0 HA SER A 8 -15.591 9.156 5.346 1.00 2.72 H new ATOM 0 HB2 SER A 8 -17.887 8.622 6.340 1.00 3.21 H new ATOM 0 HB3 SER A 8 -17.841 8.948 4.619 1.00 3.21 H new ATOM 0 HG SER A 8 -19.089 7.057 5.121 1.00 3.77 H new ATOM 64 N GLU A 9 -16.081 6.380 7.076 1.00 2.62 N ATOM 65 CA GLU A 9 -15.681 5.670 8.286 1.00 2.82 C ATOM 66 C GLU A 9 -14.522 4.735 7.972 1.00 2.50 C ATOM 67 O GLU A 9 -13.407 4.923 8.463 1.00 2.64 O ATOM 68 CB GLU A 9 -16.871 4.895 8.859 1.00 3.14 C ATOM 69 CG GLU A 9 -16.568 4.097 10.116 1.00 3.67 C ATOM 70 CD GLU A 9 -17.805 3.419 10.670 1.00 4.14 C ATOM 71 OE1 GLU A 9 -18.429 2.620 9.937 1.00 4.59 O ATOM 72 OE2 GLU A 9 -18.170 3.691 11.831 1.00 4.39 O ATOM 0 H GLU A 9 -16.821 5.921 6.544 1.00 2.62 H new ATOM 0 HA GLU A 9 -15.352 6.389 9.036 1.00 2.82 H new ATOM 0 HB2 GLU A 9 -17.674 5.599 9.078 1.00 3.14 H new ATOM 0 HB3 GLU A 9 -17.244 4.214 8.095 1.00 3.14 H new ATOM 0 HG2 GLU A 9 -15.811 3.345 9.894 1.00 3.67 H new ATOM 0 HG3 GLU A 9 -16.148 4.759 10.873 1.00 3.67 H new ATOM 79 N THR A 10 -14.784 3.739 7.143 1.00 2.14 N ATOM 80 CA THR A 10 -13.736 2.872 6.648 1.00 1.81 C ATOM 81 C THR A 10 -13.474 3.160 5.175 1.00 1.38 C ATOM 82 O THR A 10 -14.393 3.173 4.357 1.00 1.31 O ATOM 83 CB THR A 10 -14.099 1.386 6.831 1.00 1.90 C ATOM 84 OG1 THR A 10 -15.413 1.134 6.318 1.00 2.04 O ATOM 85 CG2 THR A 10 -14.040 0.993 8.300 1.00 2.42 C ATOM 0 H THR A 10 -15.717 3.513 6.799 1.00 2.14 H new ATOM 0 HA THR A 10 -12.835 3.074 7.227 1.00 1.81 H new ATOM 0 HB THR A 10 -13.374 0.787 6.280 1.00 1.90 H new ATOM 0 HG1 THR A 10 -15.519 1.584 5.454 1.00 2.04 H new ATOM 0 HG21 THR A 10 -14.300 -0.060 8.406 1.00 2.42 H new ATOM 0 HG22 THR A 10 -13.032 1.158 8.681 1.00 2.42 H new ATOM 0 HG23 THR A 10 -14.746 1.600 8.868 1.00 2.42 H new ATOM 93 N PRO A 11 -12.211 3.444 4.826 1.00 1.30 N ATOM 94 CA PRO A 11 -11.807 3.716 3.441 1.00 1.17 C ATOM 95 C PRO A 11 -12.023 2.520 2.515 1.00 0.93 C ATOM 96 O PRO A 11 -12.049 2.679 1.298 1.00 1.52 O ATOM 97 CB PRO A 11 -10.309 4.038 3.556 1.00 1.41 C ATOM 98 CG PRO A 11 -10.094 4.385 4.990 1.00 1.69 C ATOM 99 CD PRO A 11 -11.080 3.559 5.761 1.00 1.58 C ATOM 0 HA PRO A 11 -12.399 4.520 3.004 1.00 1.17 H new ATOM 0 HB2 PRO A 11 -9.699 3.184 3.261 1.00 1.41 H new ATOM 0 HB3 PRO A 11 -10.033 4.867 2.904 1.00 1.41 H new ATOM 0 HG2 PRO A 11 -9.072 4.163 5.297 1.00 1.69 H new ATOM 0 HG3 PRO A 11 -10.255 5.449 5.163 1.00 1.69 H new ATOM 0 HD2 PRO A 11 -10.672 2.583 6.024 1.00 1.58 H new ATOM 0 HD3 PRO A 11 -11.373 4.044 6.692 1.00 1.58 H new ATOM 107 N ALA A 12 -12.191 1.336 3.114 1.00 0.86 N ATOM 108 CA ALA A 12 -12.332 0.078 2.374 1.00 0.68 C ATOM 109 C ALA A 12 -11.028 -0.293 1.676 1.00 0.67 C ATOM 110 O ALA A 12 -10.481 0.497 0.906 1.00 1.42 O ATOM 111 CB ALA A 12 -13.480 0.141 1.373 1.00 0.91 C ATOM 0 H ALA A 12 -12.233 1.223 4.127 1.00 0.86 H new ATOM 0 HA ALA A 12 -12.568 -0.702 3.099 1.00 0.68 H new ATOM 0 HB1 ALA A 12 -13.554 -0.809 0.844 1.00 0.91 H new ATOM 0 HB2 ALA A 12 -14.413 0.335 1.901 1.00 0.91 H new ATOM 0 HB3 ALA A 12 -13.295 0.942 0.657 1.00 0.91 H new ATOM 117 N ALA A 13 -10.528 -1.494 1.974 1.00 0.64 N ATOM 118 CA ALA A 13 -9.244 -1.985 1.460 1.00 0.53 C ATOM 119 C ALA A 13 -8.077 -1.215 2.083 1.00 0.47 C ATOM 120 O ALA A 13 -7.201 -1.801 2.718 1.00 0.58 O ATOM 121 CB ALA A 13 -9.189 -1.932 -0.064 1.00 0.59 C ATOM 0 H ALA A 13 -11.005 -2.159 2.583 1.00 0.64 H new ATOM 0 HA ALA A 13 -9.152 -3.032 1.750 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -8.223 -2.303 -0.406 1.00 0.59 H new ATOM 0 HB2 ALA A 13 -9.984 -2.552 -0.479 1.00 0.59 H new ATOM 0 HB3 ALA A 13 -9.321 -0.903 -0.397 1.00 0.59 H new ATOM 127 N CYS A 14 -8.090 0.106 1.931 1.00 0.43 N ATOM 128 CA CYS A 14 -7.090 0.970 2.548 1.00 0.48 C ATOM 129 C CYS A 14 -7.390 1.147 4.031 1.00 0.53 C ATOM 130 O CYS A 14 -6.655 1.819 4.751 1.00 0.62 O ATOM 131 CB CYS A 14 -7.069 2.337 1.860 1.00 0.59 C ATOM 132 SG CYS A 14 -6.545 2.284 0.123 1.00 1.47 S ATOM 0 H CYS A 14 -8.789 0.605 1.380 1.00 0.43 H new ATOM 0 HA CYS A 14 -6.113 0.501 2.434 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -8.066 2.775 1.914 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -6.400 2.999 2.410 1.00 0.59 H new ATOM 137 N SER A 15 -8.466 0.518 4.483 1.00 0.60 N ATOM 138 CA SER A 15 -8.924 0.652 5.855 1.00 0.70 C ATOM 139 C SER A 15 -7.958 -0.031 6.831 1.00 0.71 C ATOM 140 O SER A 15 -7.966 0.259 8.025 1.00 0.87 O ATOM 141 CB SER A 15 -10.337 0.066 5.981 1.00 0.83 C ATOM 142 OG SER A 15 -10.892 0.288 7.266 1.00 1.36 O ATOM 0 H SER A 15 -9.043 -0.097 3.909 1.00 0.60 H new ATOM 0 HA SER A 15 -8.952 1.710 6.115 1.00 0.70 H new ATOM 0 HB2 SER A 15 -10.983 0.512 5.225 1.00 0.83 H new ATOM 0 HB3 SER A 15 -10.304 -1.005 5.780 1.00 0.83 H new ATOM 0 HG SER A 15 -11.718 -0.231 7.360 1.00 1.36 H new ATOM 148 N SER A 16 -7.118 -0.926 6.321 1.00 0.67 N ATOM 149 CA SER A 16 -6.147 -1.619 7.162 1.00 0.83 C ATOM 150 C SER A 16 -4.731 -1.090 6.937 1.00 0.76 C ATOM 151 O SER A 16 -3.764 -1.651 7.449 1.00 0.87 O ATOM 152 CB SER A 16 -6.174 -3.123 6.884 1.00 1.00 C ATOM 153 OG SER A 16 -7.487 -3.644 6.992 1.00 1.64 O ATOM 0 H SER A 16 -7.089 -1.188 5.336 1.00 0.67 H new ATOM 0 HA SER A 16 -6.426 -1.433 8.199 1.00 0.83 H new ATOM 0 HB2 SER A 16 -5.785 -3.317 5.885 1.00 1.00 H new ATOM 0 HB3 SER A 16 -5.518 -3.637 7.587 1.00 1.00 H new ATOM 0 HG SER A 16 -7.473 -4.606 6.807 1.00 1.64 H new ATOM 159 N ASN A 17 -4.631 0.006 6.180 1.00 0.63 N ATOM 160 CA ASN A 17 -3.338 0.560 5.763 1.00 0.65 C ATOM 161 C ASN A 17 -2.485 -0.503 5.073 1.00 0.59 C ATOM 162 O ASN A 17 -1.438 -0.895 5.586 1.00 0.77 O ATOM 163 CB ASN A 17 -2.567 1.155 6.950 1.00 0.88 C ATOM 164 CG ASN A 17 -3.135 2.480 7.422 1.00 0.99 C ATOM 165 OD1 ASN A 17 -4.016 2.521 8.280 1.00 1.37 O ATOM 166 ND2 ASN A 17 -2.622 3.574 6.877 1.00 1.69 N ATOM 0 H ASN A 17 -5.437 0.532 5.841 1.00 0.63 H new ATOM 0 HA ASN A 17 -3.548 1.362 5.055 1.00 0.65 H new ATOM 0 HB2 ASN A 17 -2.580 0.445 7.777 1.00 0.88 H new ATOM 0 HB3 ASN A 17 -1.524 1.294 6.666 1.00 0.88 H new ATOM 0 HD21 ASN A 17 -2.957 4.493 7.166 1.00 1.69 H new ATOM 0 HD22 ASN A 17 -1.892 3.497 6.168 1.00 1.69 H new ATOM 173 N PRO A 18 -2.916 -0.976 3.889 1.00 0.42 N ATOM 174 CA PRO A 18 -2.218 -2.037 3.155 1.00 0.44 C ATOM 175 C PRO A 18 -0.754 -1.694 2.909 1.00 0.42 C ATOM 176 O PRO A 18 0.142 -2.449 3.268 1.00 0.54 O ATOM 177 CB PRO A 18 -2.978 -2.131 1.822 1.00 0.43 C ATOM 178 CG PRO A 18 -3.816 -0.898 1.748 1.00 0.52 C ATOM 179 CD PRO A 18 -4.106 -0.509 3.165 1.00 0.36 C ATOM 0 HA PRO A 18 -2.208 -2.974 3.713 1.00 0.44 H new ATOM 0 HB2 PRO A 18 -2.287 -2.186 0.980 1.00 0.43 H new ATOM 0 HB3 PRO A 18 -3.597 -3.028 1.786 1.00 0.43 H new ATOM 0 HG2 PRO A 18 -3.290 -0.100 1.224 1.00 0.52 H new ATOM 0 HG3 PRO A 18 -4.738 -1.086 1.199 1.00 0.52 H new ATOM 0 HD2 PRO A 18 -4.244 0.567 3.267 1.00 0.36 H new ATOM 0 HD3 PRO A 18 -5.015 -0.983 3.535 1.00 0.36 H new ATOM 187 N CYS A 19 -0.523 -0.530 2.334 1.00 0.33 N ATOM 188 CA CYS A 19 0.822 -0.097 1.987 1.00 0.35 C ATOM 189 C CYS A 19 1.448 0.696 3.127 1.00 0.41 C ATOM 190 O CYS A 19 2.424 1.419 2.932 1.00 0.55 O ATOM 191 CB CYS A 19 0.764 0.758 0.730 1.00 0.31 C ATOM 192 SG CYS A 19 -0.708 0.434 -0.293 1.00 0.29 S ATOM 0 H CYS A 19 -1.254 0.140 2.095 1.00 0.33 H new ATOM 0 HA CYS A 19 1.440 -0.977 1.807 1.00 0.35 H new ATOM 0 HB2 CYS A 19 0.777 1.810 1.014 1.00 0.31 H new ATOM 0 HB3 CYS A 19 1.659 0.578 0.134 1.00 0.31 H new ATOM 197 N GLY A 20 0.890 0.535 4.316 1.00 0.52 N ATOM 198 CA GLY A 20 1.345 1.291 5.461 1.00 0.62 C ATOM 199 C GLY A 20 0.916 2.741 5.386 1.00 0.64 C ATOM 200 O GLY A 20 -0.267 3.026 5.191 1.00 0.69 O ATOM 0 H GLY A 20 0.124 -0.111 4.508 1.00 0.52 H new ATOM 0 HA2 GLY A 20 0.950 0.842 6.373 1.00 0.62 H new ATOM 0 HA3 GLY A 20 2.432 1.237 5.524 1.00 0.62 H new ATOM 204 N PRO A 21 1.865 3.677 5.545 1.00 0.67 N ATOM 205 CA PRO A 21 1.605 5.107 5.457 1.00 0.72 C ATOM 206 C PRO A 21 1.701 5.620 4.021 1.00 0.68 C ATOM 207 O PRO A 21 2.170 4.911 3.127 1.00 0.59 O ATOM 208 CB PRO A 21 2.718 5.723 6.325 1.00 0.80 C ATOM 209 CG PRO A 21 3.620 4.592 6.724 1.00 0.83 C ATOM 210 CD PRO A 21 3.273 3.427 5.844 1.00 0.70 C ATOM 0 HA PRO A 21 0.598 5.364 5.787 1.00 0.72 H new ATOM 0 HB2 PRO A 21 3.269 6.481 5.769 1.00 0.80 H new ATOM 0 HB3 PRO A 21 2.299 6.214 7.203 1.00 0.80 H new ATOM 0 HG2 PRO A 21 4.667 4.871 6.601 1.00 0.83 H new ATOM 0 HG3 PRO A 21 3.479 4.338 7.775 1.00 0.83 H new ATOM 0 HD2 PRO A 21 3.883 3.402 4.941 1.00 0.70 H new ATOM 0 HD3 PRO A 21 3.419 2.474 6.353 1.00 0.70 H new ATOM 218 N GLU A 22 1.278 6.863 3.810 1.00 0.81 N ATOM 219 CA GLU A 22 1.300 7.475 2.484 1.00 0.88 C ATOM 220 C GLU A 22 2.736 7.673 2.005 1.00 0.73 C ATOM 221 O GLU A 22 3.032 7.554 0.810 1.00 0.79 O ATOM 222 CB GLU A 22 0.580 8.828 2.503 1.00 1.14 C ATOM 223 CG GLU A 22 0.573 9.525 1.151 1.00 1.99 C ATOM 224 CD GLU A 22 0.161 10.977 1.237 1.00 2.51 C ATOM 225 OE1 GLU A 22 1.013 11.824 1.575 1.00 3.42 O ATOM 226 OE2 GLU A 22 -1.026 11.277 0.989 1.00 2.49 O ATOM 0 H GLU A 22 0.914 7.470 4.545 1.00 0.81 H new ATOM 0 HA GLU A 22 0.784 6.803 1.798 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -0.448 8.680 2.833 1.00 1.14 H new ATOM 0 HB3 GLU A 22 1.060 9.477 3.236 1.00 1.14 H new ATOM 0 HG2 GLU A 22 1.568 9.461 0.710 1.00 1.99 H new ATOM 0 HG3 GLU A 22 -0.107 8.999 0.481 1.00 1.99 H new ATOM 233 N ALA A 23 3.621 7.989 2.944 1.00 0.65 N ATOM 234 CA ALA A 23 5.028 8.205 2.633 1.00 0.57 C ATOM 235 C ALA A 23 5.670 6.928 2.111 1.00 0.46 C ATOM 236 O ALA A 23 6.608 6.976 1.319 1.00 0.46 O ATOM 237 CB ALA A 23 5.767 8.710 3.859 1.00 0.57 C ATOM 0 H ALA A 23 3.387 8.101 3.930 1.00 0.65 H new ATOM 0 HA ALA A 23 5.094 8.961 1.850 1.00 0.57 H new ATOM 0 HB1 ALA A 23 6.817 8.867 3.612 1.00 0.57 H new ATOM 0 HB2 ALA A 23 5.327 9.652 4.187 1.00 0.57 H new ATOM 0 HB3 ALA A 23 5.689 7.975 4.660 1.00 0.57 H new ATOM 243 N ALA A 24 5.150 5.788 2.551 1.00 0.41 N ATOM 244 CA ALA A 24 5.634 4.502 2.079 1.00 0.34 C ATOM 245 C ALA A 24 5.058 4.198 0.705 1.00 0.29 C ATOM 246 O ALA A 24 5.790 4.125 -0.283 1.00 0.29 O ATOM 247 CB ALA A 24 5.286 3.398 3.065 1.00 0.41 C ATOM 0 H ALA A 24 4.394 5.731 3.233 1.00 0.41 H new ATOM 0 HA ALA A 24 6.720 4.549 1.999 1.00 0.34 H new ATOM 0 HB1 ALA A 24 5.658 2.445 2.690 1.00 0.41 H new ATOM 0 HB2 ALA A 24 5.746 3.613 4.029 1.00 0.41 H new ATOM 0 HB3 ALA A 24 4.204 3.344 3.183 1.00 0.41 H new ATOM 253 N GLY A 25 3.743 4.060 0.633 1.00 0.34 N ATOM 254 CA GLY A 25 3.106 3.759 -0.630 1.00 0.39 C ATOM 255 C GLY A 25 1.631 4.091 -0.621 1.00 0.46 C ATOM 256 O GLY A 25 0.971 3.986 0.412 1.00 0.61 O ATOM 0 H GLY A 25 3.107 4.151 1.425 1.00 0.34 H new ATOM 0 HA2 GLY A 25 3.598 4.319 -1.425 1.00 0.39 H new ATOM 0 HA3 GLY A 25 3.237 2.701 -0.858 1.00 0.39 H new ATOM 260 N THR A 26 1.114 4.481 -1.774 1.00 0.43 N ATOM 261 CA THR A 26 -0.286 4.846 -1.900 1.00 0.52 C ATOM 262 C THR A 26 -1.103 3.642 -2.355 1.00 0.36 C ATOM 263 O THR A 26 -0.647 2.859 -3.191 1.00 0.28 O ATOM 264 CB THR A 26 -0.461 5.996 -2.907 1.00 0.69 C ATOM 265 OG1 THR A 26 0.544 6.994 -2.685 1.00 0.87 O ATOM 266 CG2 THR A 26 -1.839 6.630 -2.785 1.00 0.82 C ATOM 0 H THR A 26 1.647 4.553 -2.641 1.00 0.43 H new ATOM 0 HA THR A 26 -0.640 5.177 -0.924 1.00 0.52 H new ATOM 0 HB THR A 26 -0.359 5.584 -3.911 1.00 0.69 H new ATOM 0 HG1 THR A 26 0.429 7.723 -3.330 1.00 0.87 H new ATOM 0 HG21 THR A 26 -1.933 7.439 -3.509 1.00 0.82 H new ATOM 0 HG22 THR A 26 -2.604 5.878 -2.980 1.00 0.82 H new ATOM 0 HG23 THR A 26 -1.969 7.027 -1.778 1.00 0.82 H new ATOM 274 N CYS A 27 -2.292 3.485 -1.797 1.00 0.39 N ATOM 275 CA CYS A 27 -3.149 2.367 -2.144 1.00 0.33 C ATOM 276 C CYS A 27 -4.264 2.807 -3.083 1.00 0.29 C ATOM 277 O CYS A 27 -4.820 3.900 -2.942 1.00 0.32 O ATOM 278 CB CYS A 27 -3.735 1.738 -0.880 1.00 0.45 C ATOM 279 SG CYS A 27 -4.615 2.909 0.201 1.00 1.42 S ATOM 0 H CYS A 27 -2.685 4.119 -1.101 1.00 0.39 H new ATOM 0 HA CYS A 27 -2.545 1.621 -2.661 1.00 0.33 H new ATOM 0 HB2 CYS A 27 -4.422 0.942 -1.169 1.00 0.45 H new ATOM 0 HB3 CYS A 27 -2.929 1.273 -0.312 1.00 0.45 H new ATOM 284 N LYS A 28 -4.571 1.958 -4.049 1.00 0.35 N ATOM 285 CA LYS A 28 -5.659 2.213 -4.978 1.00 0.43 C ATOM 286 C LYS A 28 -6.556 0.993 -5.074 1.00 0.39 C ATOM 287 O LYS A 28 -6.084 -0.111 -5.349 1.00 0.39 O ATOM 288 CB LYS A 28 -5.123 2.564 -6.368 1.00 0.58 C ATOM 289 CG LYS A 28 -6.224 2.837 -7.384 1.00 0.83 C ATOM 290 CD LYS A 28 -7.024 4.081 -7.024 1.00 1.17 C ATOM 291 CE LYS A 28 -8.302 4.191 -7.845 1.00 1.52 C ATOM 292 NZ LYS A 28 -8.048 4.079 -9.309 1.00 1.92 N ATOM 0 H LYS A 28 -4.078 1.080 -4.211 1.00 0.35 H new ATOM 0 HA LYS A 28 -6.233 3.061 -4.603 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -4.482 3.442 -6.292 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -4.500 1.745 -6.728 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -5.784 2.961 -8.374 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -6.892 1.977 -7.437 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -7.275 4.057 -5.963 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -6.410 4.967 -7.187 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -8.996 3.408 -7.538 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -8.785 5.145 -7.635 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -8.912 4.327 -9.831 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 -7.282 4.728 -9.579 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 -7.772 3.103 -9.540 1.00 1.92 H new ATOM 306 N GLU A 29 -7.841 1.191 -4.834 1.00 0.40 N ATOM 307 CA GLU A 29 -8.811 0.119 -4.960 1.00 0.41 C ATOM 308 C GLU A 29 -8.941 -0.308 -6.415 1.00 0.42 C ATOM 309 O GLU A 29 -9.235 0.505 -7.296 1.00 0.49 O ATOM 310 CB GLU A 29 -10.181 0.537 -4.417 1.00 0.50 C ATOM 311 CG GLU A 29 -10.162 0.957 -2.956 1.00 0.60 C ATOM 312 CD GLU A 29 -9.890 2.436 -2.770 1.00 0.85 C ATOM 313 OE1 GLU A 29 -8.774 2.878 -3.105 1.00 1.12 O ATOM 314 OE2 GLU A 29 -10.785 3.167 -2.295 1.00 1.66 O ATOM 0 H GLU A 29 -8.237 2.087 -4.550 1.00 0.40 H new ATOM 0 HA GLU A 29 -8.453 -0.723 -4.367 1.00 0.41 H new ATOM 0 HB2 GLU A 29 -10.562 1.363 -5.017 1.00 0.50 H new ATOM 0 HB3 GLU A 29 -10.877 -0.293 -4.537 1.00 0.50 H new ATOM 0 HG2 GLU A 29 -11.120 0.709 -2.500 1.00 0.60 H new ATOM 0 HG3 GLU A 29 -9.400 0.384 -2.428 1.00 0.60 H new ATOM 321 N THR A 30 -8.699 -1.584 -6.655 1.00 0.39 N ATOM 322 CA THR A 30 -8.749 -2.143 -7.993 1.00 0.45 C ATOM 323 C THR A 30 -9.746 -3.292 -8.062 1.00 0.46 C ATOM 324 O THR A 30 -10.463 -3.555 -7.093 1.00 0.46 O ATOM 325 CB THR A 30 -7.364 -2.648 -8.432 1.00 0.53 C ATOM 326 OG1 THR A 30 -6.861 -3.593 -7.476 1.00 0.52 O ATOM 327 CG2 THR A 30 -6.387 -1.493 -8.566 1.00 0.62 C ATOM 0 H THR A 30 -8.463 -2.261 -5.929 1.00 0.39 H new ATOM 0 HA THR A 30 -9.068 -1.348 -8.667 1.00 0.45 H new ATOM 0 HB THR A 30 -7.469 -3.132 -9.403 1.00 0.53 H new ATOM 0 HG1 THR A 30 -6.283 -4.241 -7.930 1.00 0.52 H new ATOM 0 HG21 THR A 30 -5.414 -1.874 -8.877 1.00 0.62 H new ATOM 0 HG22 THR A 30 -6.756 -0.789 -9.311 1.00 0.62 H new ATOM 0 HG23 THR A 30 -6.288 -0.987 -7.606 1.00 0.62 H new ATOM 335 N ASN A 31 -9.791 -3.968 -9.204 1.00 0.54 N ATOM 336 CA ASN A 31 -10.664 -5.129 -9.391 1.00 0.64 C ATOM 337 C ASN A 31 -10.405 -6.186 -8.315 1.00 0.60 C ATOM 338 O ASN A 31 -11.338 -6.768 -7.761 1.00 0.89 O ATOM 339 CB ASN A 31 -10.443 -5.729 -10.785 1.00 0.86 C ATOM 340 CG ASN A 31 -11.305 -6.949 -11.052 1.00 1.71 C ATOM 341 OD1 ASN A 31 -10.911 -8.080 -10.769 1.00 2.43 O ATOM 342 ND2 ASN A 31 -12.477 -6.730 -11.622 1.00 2.38 N ATOM 0 H ASN A 31 -9.230 -3.732 -10.022 1.00 0.54 H new ATOM 0 HA ASN A 31 -11.699 -4.800 -9.302 1.00 0.64 H new ATOM 0 HB2 ASN A 31 -10.655 -4.970 -11.538 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -9.393 -6.002 -10.894 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -13.091 -7.514 -11.843 1.00 2.38 H new ATOM 0 HD22 ASN A 31 -12.768 -5.777 -11.841 1.00 2.38 H new ATOM 349 N SER A 32 -9.133 -6.404 -8.000 1.00 0.60 N ATOM 350 CA SER A 32 -8.745 -7.416 -7.022 1.00 0.65 C ATOM 351 C SER A 32 -8.920 -6.906 -5.590 1.00 0.53 C ATOM 352 O SER A 32 -8.733 -7.649 -4.626 1.00 0.79 O ATOM 353 CB SER A 32 -7.295 -7.828 -7.260 1.00 0.82 C ATOM 354 OG SER A 32 -7.093 -8.188 -8.617 1.00 1.44 O ATOM 0 H SER A 32 -8.351 -5.893 -8.408 1.00 0.60 H new ATOM 0 HA SER A 32 -9.397 -8.281 -7.148 1.00 0.65 H new ATOM 0 HB2 SER A 32 -6.630 -7.007 -6.993 1.00 0.82 H new ATOM 0 HB3 SER A 32 -7.039 -8.668 -6.614 1.00 0.82 H new ATOM 0 HG SER A 32 -6.157 -8.447 -8.751 1.00 1.44 H new ATOM 360 N GLY A 33 -9.277 -5.639 -5.459 1.00 0.36 N ATOM 361 CA GLY A 33 -9.470 -5.051 -4.152 1.00 0.37 C ATOM 362 C GLY A 33 -8.660 -3.790 -3.992 1.00 0.31 C ATOM 363 O GLY A 33 -9.210 -2.695 -3.947 1.00 0.35 O ATOM 0 H GLY A 33 -9.437 -5.004 -6.241 1.00 0.36 H new ATOM 0 HA2 GLY A 33 -10.527 -4.828 -4.004 1.00 0.37 H new ATOM 0 HA3 GLY A 33 -9.185 -5.769 -3.383 1.00 0.37 H new ATOM 367 N TYR A 34 -7.346 -3.942 -3.937 1.00 0.28 N ATOM 368 CA TYR A 34 -6.451 -2.807 -3.799 1.00 0.25 C ATOM 369 C TYR A 34 -5.077 -3.147 -4.348 1.00 0.30 C ATOM 370 O TYR A 34 -4.711 -4.317 -4.451 1.00 0.38 O ATOM 371 CB TYR A 34 -6.329 -2.385 -2.327 1.00 0.24 C ATOM 372 CG TYR A 34 -5.749 -3.454 -1.423 1.00 0.27 C ATOM 373 CD1 TYR A 34 -4.377 -3.568 -1.244 1.00 0.34 C ATOM 374 CD2 TYR A 34 -6.573 -4.340 -0.739 1.00 0.40 C ATOM 375 CE1 TYR A 34 -3.841 -4.536 -0.418 1.00 0.43 C ATOM 376 CE2 TYR A 34 -6.048 -5.312 0.090 1.00 0.48 C ATOM 377 CZ TYR A 34 -4.683 -5.431 0.221 1.00 0.48 C ATOM 378 OH TYR A 34 -4.151 -6.370 1.082 1.00 0.57 O ATOM 0 H TYR A 34 -6.875 -4.846 -3.986 1.00 0.28 H new ATOM 0 HA TYR A 34 -6.869 -1.977 -4.369 1.00 0.25 H new ATOM 0 HB2 TYR A 34 -5.704 -1.494 -2.266 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -7.316 -2.107 -1.957 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -3.717 -2.887 -1.760 1.00 0.34 H new ATOM 0 HD2 TYR A 34 -7.644 -4.267 -0.858 1.00 0.40 H new ATOM 0 HE1 TYR A 34 -2.773 -4.595 -0.271 1.00 0.43 H new ATOM 0 HE2 TYR A 34 -6.705 -5.975 0.633 1.00 0.48 H new ATOM 0 HH TYR A 34 -4.872 -6.922 1.450 1.00 0.57 H new ATOM 388 N ILE A 35 -4.339 -2.121 -4.724 1.00 0.32 N ATOM 389 CA ILE A 35 -2.936 -2.263 -5.067 1.00 0.36 C ATOM 390 C ILE A 35 -2.123 -1.232 -4.307 1.00 0.29 C ATOM 391 O ILE A 35 -2.678 -0.270 -3.772 1.00 0.29 O ATOM 392 CB ILE A 35 -2.666 -2.091 -6.579 1.00 0.48 C ATOM 393 CG1 ILE A 35 -3.146 -0.717 -7.060 1.00 0.50 C ATOM 394 CG2 ILE A 35 -3.327 -3.205 -7.377 1.00 0.59 C ATOM 395 CD1 ILE A 35 -2.712 -0.381 -8.471 1.00 0.64 C ATOM 0 H ILE A 35 -4.693 -1.167 -4.801 1.00 0.32 H new ATOM 0 HA ILE A 35 -2.644 -3.277 -4.792 1.00 0.36 H new ATOM 0 HB ILE A 35 -1.590 -2.153 -6.742 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -4.234 -0.683 -7.006 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -2.769 0.048 -6.381 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -3.123 -3.063 -8.438 1.00 0.59 H new ATOM 0 HG22 ILE A 35 -2.928 -4.168 -7.057 1.00 0.59 H new ATOM 0 HG23 ILE A 35 -4.404 -3.184 -7.208 1.00 0.59 H new ATOM 0 HD11 ILE A 35 -3.088 0.605 -8.742 1.00 0.64 H new ATOM 0 HD12 ILE A 35 -1.623 -0.382 -8.527 1.00 0.64 H new ATOM 0 HD13 ILE A 35 -3.111 -1.124 -9.161 1.00 0.64 H new ATOM 407 N CYS A 36 -0.818 -1.423 -4.270 1.00 0.26 N ATOM 408 CA CYS A 36 0.058 -0.518 -3.550 1.00 0.23 C ATOM 409 C CYS A 36 1.132 0.055 -4.460 1.00 0.25 C ATOM 410 O CYS A 36 1.827 -0.677 -5.165 1.00 0.29 O ATOM 411 CB CYS A 36 0.695 -1.232 -2.361 1.00 0.26 C ATOM 412 SG CYS A 36 -0.435 -1.462 -0.958 1.00 0.26 S ATOM 0 H CYS A 36 -0.340 -2.198 -4.731 1.00 0.26 H new ATOM 0 HA CYS A 36 -0.546 0.312 -3.183 1.00 0.23 H new ATOM 0 HB2 CYS A 36 1.060 -2.206 -2.686 1.00 0.26 H new ATOM 0 HB3 CYS A 36 1.562 -0.662 -2.028 1.00 0.26 H new ATOM 417 N ARG A 37 1.257 1.374 -4.444 1.00 0.26 N ATOM 418 CA ARG A 37 2.276 2.052 -5.223 1.00 0.30 C ATOM 419 C ARG A 37 3.282 2.684 -4.280 1.00 0.25 C ATOM 420 O ARG A 37 3.024 3.743 -3.708 1.00 0.28 O ATOM 421 CB ARG A 37 1.642 3.124 -6.113 1.00 0.38 C ATOM 422 CG ARG A 37 2.607 3.752 -7.110 1.00 0.83 C ATOM 423 CD ARG A 37 3.112 2.730 -8.117 1.00 1.27 C ATOM 424 NE ARG A 37 4.075 3.309 -9.049 1.00 2.34 N ATOM 425 CZ ARG A 37 4.471 2.727 -10.180 1.00 3.30 C ATOM 426 NH1 ARG A 37 3.992 1.540 -10.531 1.00 3.45 N ATOM 427 NH2 ARG A 37 5.351 3.342 -10.961 1.00 4.43 N ATOM 0 H ARG A 37 0.662 1.996 -3.897 1.00 0.26 H new ATOM 0 HA ARG A 37 2.780 1.330 -5.865 1.00 0.30 H new ATOM 0 HB2 ARG A 37 0.809 2.682 -6.659 1.00 0.38 H new ATOM 0 HB3 ARG A 37 1.228 3.909 -5.480 1.00 0.38 H new ATOM 0 HG2 ARG A 37 2.109 4.567 -7.636 1.00 0.83 H new ATOM 0 HG3 ARG A 37 3.452 4.186 -6.576 1.00 0.83 H new ATOM 0 HD2 ARG A 37 3.576 1.898 -7.587 1.00 1.27 H new ATOM 0 HD3 ARG A 37 2.268 2.323 -8.674 1.00 1.27 H new ATOM 0 HE ARG A 37 4.471 4.220 -8.819 1.00 2.34 H new ATOM 0 HH11 ARG A 37 3.315 1.066 -9.933 1.00 3.45 H new ATOM 0 HH12 ARG A 37 4.301 1.102 -11.399 1.00 3.45 H new ATOM 0 HH21 ARG A 37 5.720 4.255 -10.694 1.00 4.43 H new ATOM 0 HH22 ARG A 37 5.658 2.902 -11.828 1.00 4.43 H new ATOM 441 N CYS A 38 4.417 2.030 -4.114 1.00 0.23 N ATOM 442 CA CYS A 38 5.438 2.508 -3.197 1.00 0.20 C ATOM 443 C CYS A 38 6.191 3.684 -3.788 1.00 0.22 C ATOM 444 O CYS A 38 6.433 3.744 -4.994 1.00 0.27 O ATOM 445 CB CYS A 38 6.410 1.387 -2.844 1.00 0.22 C ATOM 446 SG CYS A 38 5.659 0.058 -1.861 1.00 0.24 S ATOM 0 H CYS A 38 4.656 1.167 -4.602 1.00 0.23 H new ATOM 0 HA CYS A 38 4.940 2.841 -2.286 1.00 0.20 H new ATOM 0 HB2 CYS A 38 6.813 0.964 -3.764 1.00 0.22 H new ATOM 0 HB3 CYS A 38 7.250 1.807 -2.291 1.00 0.22 H new ATOM 451 N ASN A 39 6.545 4.617 -2.923 1.00 0.24 N ATOM 452 CA ASN A 39 7.292 5.798 -3.321 1.00 0.28 C ATOM 453 C ASN A 39 8.759 5.444 -3.528 1.00 0.28 C ATOM 454 O ASN A 39 9.202 4.352 -3.160 1.00 0.34 O ATOM 455 CB ASN A 39 7.167 6.897 -2.257 1.00 0.33 C ATOM 456 CG ASN A 39 5.742 7.405 -2.096 1.00 0.42 C ATOM 457 OD1 ASN A 39 5.335 8.376 -2.735 1.00 0.63 O ATOM 458 ND2 ASN A 39 4.979 6.756 -1.234 1.00 0.71 N ATOM 0 H ASN A 39 6.324 4.579 -1.928 1.00 0.24 H new ATOM 0 HA ASN A 39 6.878 6.169 -4.258 1.00 0.28 H new ATOM 0 HB2 ASN A 39 7.520 6.512 -1.301 1.00 0.33 H new ATOM 0 HB3 ASN A 39 7.817 7.730 -2.525 1.00 0.33 H new ATOM 0 HD21 ASN A 39 4.016 7.055 -1.079 1.00 0.71 H new ATOM 0 HD22 ASN A 39 5.353 5.956 -0.724 1.00 0.71 H new ATOM 465 N GLN A 40 9.498 6.365 -4.127 1.00 0.41 N ATOM 466 CA GLN A 40 10.914 6.172 -4.404 1.00 0.50 C ATOM 467 C GLN A 40 11.693 5.959 -3.108 1.00 0.52 C ATOM 468 O GLN A 40 11.911 6.896 -2.339 1.00 1.12 O ATOM 469 CB GLN A 40 11.454 7.382 -5.165 1.00 0.72 C ATOM 470 CG GLN A 40 12.904 7.257 -5.595 1.00 1.36 C ATOM 471 CD GLN A 40 13.336 8.413 -6.471 1.00 2.23 C ATOM 472 OE1 GLN A 40 13.216 8.356 -7.695 1.00 2.90 O ATOM 473 NE2 GLN A 40 13.826 9.475 -5.851 1.00 2.87 N ATOM 0 H GLN A 40 9.134 7.267 -4.435 1.00 0.41 H new ATOM 0 HA GLN A 40 11.038 5.280 -5.018 1.00 0.50 H new ATOM 0 HB2 GLN A 40 10.838 7.544 -6.050 1.00 0.72 H new ATOM 0 HB3 GLN A 40 11.349 8.267 -4.537 1.00 0.72 H new ATOM 0 HG2 GLN A 40 13.542 7.213 -4.712 1.00 1.36 H new ATOM 0 HG3 GLN A 40 13.043 6.321 -6.136 1.00 1.36 H new ATOM 0 HE21 GLN A 40 13.908 9.479 -4.834 1.00 2.87 H new ATOM 0 HE22 GLN A 40 14.122 10.289 -6.390 1.00 2.87 H new ATOM 482 N GLY A 41 12.108 4.721 -2.876 1.00 0.48 N ATOM 483 CA GLY A 41 12.778 4.379 -1.641 1.00 0.42 C ATOM 484 C GLY A 41 12.051 3.281 -0.895 1.00 0.33 C ATOM 485 O GLY A 41 12.530 2.783 0.128 1.00 0.38 O ATOM 0 H GLY A 41 11.991 3.944 -3.527 1.00 0.48 H new ATOM 0 HA2 GLY A 41 13.797 4.059 -1.857 1.00 0.42 H new ATOM 0 HA3 GLY A 41 12.849 5.264 -1.008 1.00 0.42 H new ATOM 489 N TYR A 42 10.892 2.902 -1.413 1.00 0.25 N ATOM 490 CA TYR A 42 10.085 1.841 -0.825 1.00 0.21 C ATOM 491 C TYR A 42 9.787 0.757 -1.859 1.00 0.22 C ATOM 492 O TYR A 42 9.955 0.974 -3.061 1.00 0.26 O ATOM 493 CB TYR A 42 8.789 2.414 -0.251 1.00 0.19 C ATOM 494 CG TYR A 42 9.018 3.338 0.922 1.00 0.24 C ATOM 495 CD1 TYR A 42 9.113 2.838 2.213 1.00 0.30 C ATOM 496 CD2 TYR A 42 9.146 4.710 0.739 1.00 0.34 C ATOM 497 CE1 TYR A 42 9.329 3.675 3.289 1.00 0.39 C ATOM 498 CE2 TYR A 42 9.365 5.554 1.810 1.00 0.42 C ATOM 499 CZ TYR A 42 9.452 5.033 3.084 1.00 0.43 C ATOM 500 OH TYR A 42 9.673 5.868 4.155 1.00 0.54 O ATOM 0 H TYR A 42 10.485 3.319 -2.250 1.00 0.25 H new ATOM 0 HA TYR A 42 10.650 1.387 -0.011 1.00 0.21 H new ATOM 0 HB2 TYR A 42 8.260 2.956 -1.035 1.00 0.19 H new ATOM 0 HB3 TYR A 42 8.143 1.594 0.061 1.00 0.19 H new ATOM 0 HD1 TYR A 42 9.016 1.775 2.379 1.00 0.30 H new ATOM 0 HD2 TYR A 42 9.073 5.122 -0.256 1.00 0.34 H new ATOM 0 HE1 TYR A 42 9.401 3.268 4.287 1.00 0.39 H new ATOM 0 HE2 TYR A 42 9.468 6.617 1.651 1.00 0.42 H new ATOM 0 HH TYR A 42 9.737 6.794 3.840 1.00 0.54 H new ATOM 510 N ARG A 43 9.362 -0.408 -1.388 1.00 0.24 N ATOM 511 CA ARG A 43 9.156 -1.566 -2.255 1.00 0.31 C ATOM 512 C ARG A 43 7.957 -2.394 -1.795 1.00 0.24 C ATOM 513 O ARG A 43 7.546 -2.324 -0.634 1.00 0.21 O ATOM 514 CB ARG A 43 10.413 -2.434 -2.257 1.00 0.49 C ATOM 515 CG ARG A 43 10.906 -2.777 -0.861 1.00 0.57 C ATOM 516 CD ARG A 43 12.112 -3.689 -0.901 1.00 0.83 C ATOM 517 NE ARG A 43 12.711 -3.846 0.422 1.00 1.68 N ATOM 518 CZ ARG A 43 13.480 -4.874 0.775 1.00 2.22 C ATOM 519 NH1 ARG A 43 13.721 -5.856 -0.080 1.00 2.20 N ATOM 520 NH2 ARG A 43 14.004 -4.921 1.991 1.00 3.05 N ATOM 0 H ARG A 43 9.151 -0.579 -0.405 1.00 0.24 H new ATOM 0 HA ARG A 43 8.954 -1.207 -3.264 1.00 0.31 H new ATOM 0 HB2 ARG A 43 10.209 -3.357 -2.800 1.00 0.49 H new ATOM 0 HB3 ARG A 43 11.204 -1.915 -2.797 1.00 0.49 H new ATOM 0 HG2 ARG A 43 11.161 -1.860 -0.330 1.00 0.57 H new ATOM 0 HG3 ARG A 43 10.105 -3.258 -0.300 1.00 0.57 H new ATOM 0 HD2 ARG A 43 11.818 -4.665 -1.286 1.00 0.83 H new ATOM 0 HD3 ARG A 43 12.853 -3.284 -1.591 1.00 0.83 H new ATOM 0 HE ARG A 43 12.529 -3.123 1.118 1.00 1.68 H new ATOM 0 HH11 ARG A 43 13.317 -5.828 -1.016 1.00 2.20 H new ATOM 0 HH12 ARG A 43 14.311 -6.640 0.197 1.00 2.20 H new ATOM 0 HH21 ARG A 43 13.818 -4.170 2.656 1.00 3.05 H new ATOM 0 HH22 ARG A 43 14.593 -5.708 2.262 1.00 3.05 H new ATOM 534 N ILE A 44 7.411 -3.185 -2.713 1.00 0.29 N ATOM 535 CA ILE A 44 6.261 -4.027 -2.419 1.00 0.27 C ATOM 536 C ILE A 44 6.709 -5.345 -1.807 1.00 0.28 C ATOM 537 O ILE A 44 7.686 -5.949 -2.258 1.00 0.33 O ATOM 538 CB ILE A 44 5.416 -4.307 -3.688 1.00 0.32 C ATOM 539 CG1 ILE A 44 4.650 -3.052 -4.106 1.00 0.33 C ATOM 540 CG2 ILE A 44 4.447 -5.467 -3.475 1.00 0.34 C ATOM 541 CD1 ILE A 44 3.787 -2.480 -3.003 1.00 0.28 C ATOM 0 H ILE A 44 7.750 -3.259 -3.672 1.00 0.29 H new ATOM 0 HA ILE A 44 5.639 -3.486 -1.706 1.00 0.27 H new ATOM 0 HB ILE A 44 6.104 -4.588 -4.485 1.00 0.32 H new ATOM 0 HG12 ILE A 44 5.361 -2.293 -4.432 1.00 0.33 H new ATOM 0 HG13 ILE A 44 4.021 -3.288 -4.964 1.00 0.33 H new ATOM 0 HG21 ILE A 44 3.872 -5.633 -4.386 1.00 0.34 H new ATOM 0 HG22 ILE A 44 5.008 -6.369 -3.230 1.00 0.34 H new ATOM 0 HG23 ILE A 44 3.768 -5.228 -2.656 1.00 0.34 H new ATOM 0 HD11 ILE A 44 3.272 -1.591 -3.368 1.00 0.28 H new ATOM 0 HD12 ILE A 44 3.053 -3.223 -2.693 1.00 0.28 H new ATOM 0 HD13 ILE A 44 4.414 -2.213 -2.152 1.00 0.28 H new ATOM 553 N SER A 45 6.003 -5.773 -0.780 1.00 0.28 N ATOM 554 CA SER A 45 6.312 -7.017 -0.110 1.00 0.33 C ATOM 555 C SER A 45 5.025 -7.704 0.333 1.00 0.32 C ATOM 556 O SER A 45 4.045 -7.042 0.680 1.00 0.31 O ATOM 557 CB SER A 45 7.217 -6.740 1.098 1.00 0.39 C ATOM 558 OG SER A 45 7.585 -7.937 1.762 1.00 0.49 O ATOM 0 H SER A 45 5.205 -5.272 -0.390 1.00 0.28 H new ATOM 0 HA SER A 45 6.837 -7.679 -0.799 1.00 0.33 H new ATOM 0 HB2 SER A 45 8.114 -6.216 0.768 1.00 0.39 H new ATOM 0 HB3 SER A 45 6.701 -6.080 1.796 1.00 0.39 H new ATOM 0 HG SER A 45 8.162 -7.724 2.525 1.00 0.49 H new ATOM 564 N LEU A 46 5.016 -9.025 0.286 1.00 0.45 N ATOM 565 CA LEU A 46 3.908 -9.785 0.835 1.00 0.48 C ATOM 566 C LEU A 46 4.262 -10.195 2.253 1.00 0.62 C ATOM 567 O LEU A 46 5.165 -11.005 2.465 1.00 0.88 O ATOM 568 CB LEU A 46 3.616 -11.023 -0.015 1.00 0.66 C ATOM 569 CG LEU A 46 3.291 -10.743 -1.484 1.00 0.71 C ATOM 570 CD1 LEU A 46 3.015 -12.041 -2.229 1.00 0.95 C ATOM 571 CD2 LEU A 46 2.105 -9.798 -1.604 1.00 0.66 C ATOM 0 H LEU A 46 5.759 -9.590 -0.124 1.00 0.45 H new ATOM 0 HA LEU A 46 3.011 -9.166 0.835 1.00 0.48 H new ATOM 0 HB2 LEU A 46 4.480 -11.686 0.029 1.00 0.66 H new ATOM 0 HB3 LEU A 46 2.778 -11.560 0.430 1.00 0.66 H new ATOM 0 HG LEU A 46 4.158 -10.263 -1.937 1.00 0.71 H new ATOM 0 HD11 LEU A 46 2.786 -11.820 -3.272 1.00 0.95 H new ATOM 0 HD12 LEU A 46 3.894 -12.683 -2.179 1.00 0.95 H new ATOM 0 HD13 LEU A 46 2.167 -12.550 -1.771 1.00 0.95 H new ATOM 0 HD21 LEU A 46 1.892 -9.613 -2.657 1.00 0.66 H new ATOM 0 HD22 LEU A 46 1.232 -10.248 -1.131 1.00 0.66 H new ATOM 0 HD23 LEU A 46 2.340 -8.855 -1.110 1.00 0.66 H new ATOM 583 N ASP A 47 3.550 -9.650 3.221 1.00 0.57 N ATOM 584 CA ASP A 47 3.943 -9.805 4.614 1.00 0.81 C ATOM 585 C ASP A 47 3.406 -11.094 5.218 1.00 0.98 C ATOM 586 O ASP A 47 2.436 -11.082 5.976 1.00 1.62 O ATOM 587 CB ASP A 47 3.490 -8.608 5.433 1.00 0.94 C ATOM 588 CG ASP A 47 4.121 -8.580 6.810 1.00 1.86 C ATOM 589 OD1 ASP A 47 5.347 -8.805 6.913 1.00 2.52 O ATOM 590 OD2 ASP A 47 3.392 -8.337 7.798 1.00 2.20 O ATOM 0 H ASP A 47 2.704 -9.100 3.074 1.00 0.57 H new ATOM 0 HA ASP A 47 5.031 -9.861 4.639 1.00 0.81 H new ATOM 0 HB2 ASP A 47 3.743 -7.691 4.901 1.00 0.94 H new ATOM 0 HB3 ASP A 47 2.405 -8.629 5.534 1.00 0.94 H new ATOM 595 N GLY A 48 4.030 -12.207 4.855 1.00 1.00 N ATOM 596 CA GLY A 48 3.708 -13.488 5.460 1.00 1.17 C ATOM 597 C GLY A 48 2.426 -14.101 4.926 1.00 1.17 C ATOM 598 O GLY A 48 2.435 -15.205 4.379 1.00 1.42 O ATOM 0 H GLY A 48 4.761 -12.246 4.145 1.00 1.00 H new ATOM 0 HA2 GLY A 48 4.532 -14.180 5.288 1.00 1.17 H new ATOM 0 HA3 GLY A 48 3.619 -13.360 6.539 1.00 1.17 H new ATOM 602 N THR A 49 1.324 -13.380 5.076 1.00 0.98 N ATOM 603 CA THR A 49 0.011 -13.896 4.710 1.00 1.04 C ATOM 604 C THR A 49 -0.351 -13.552 3.269 1.00 0.95 C ATOM 605 O THR A 49 -1.466 -13.808 2.823 1.00 1.19 O ATOM 606 CB THR A 49 -1.070 -13.348 5.656 1.00 1.07 C ATOM 607 OG1 THR A 49 -0.910 -11.929 5.801 1.00 0.94 O ATOM 608 CG2 THR A 49 -0.988 -14.018 7.018 1.00 1.27 C ATOM 0 H THR A 49 1.313 -12.431 5.450 1.00 0.98 H new ATOM 0 HA THR A 49 0.057 -14.981 4.801 1.00 1.04 H new ATOM 0 HB THR A 49 -2.048 -13.564 5.226 1.00 1.07 H new ATOM 0 HG1 THR A 49 -1.601 -11.582 6.403 1.00 0.94 H new ATOM 0 HG21 THR A 49 -1.763 -13.614 7.670 1.00 1.27 H new ATOM 0 HG22 THR A 49 -1.134 -15.092 6.904 1.00 1.27 H new ATOM 0 HG23 THR A 49 -0.009 -13.829 7.458 1.00 1.27 H new ATOM 616 N GLY A 50 0.590 -12.962 2.541 1.00 0.79 N ATOM 617 CA GLY A 50 0.354 -12.648 1.145 1.00 0.74 C ATOM 618 C GLY A 50 -0.319 -11.303 0.954 1.00 0.63 C ATOM 619 O GLY A 50 -0.669 -10.933 -0.167 1.00 0.70 O ATOM 0 H GLY A 50 1.510 -12.696 2.892 1.00 0.79 H new ATOM 0 HA2 GLY A 50 1.304 -12.654 0.610 1.00 0.74 H new ATOM 0 HA3 GLY A 50 -0.267 -13.427 0.701 1.00 0.74 H new ATOM 623 N ASN A 51 -0.512 -10.572 2.048 1.00 0.55 N ATOM 624 CA ASN A 51 -1.067 -9.225 1.966 1.00 0.50 C ATOM 625 C ASN A 51 -0.090 -8.312 1.245 1.00 0.39 C ATOM 626 O ASN A 51 1.113 -8.341 1.523 1.00 0.34 O ATOM 627 CB ASN A 51 -1.359 -8.647 3.357 1.00 0.59 C ATOM 628 CG ASN A 51 -2.418 -9.422 4.116 1.00 0.89 C ATOM 629 OD1 ASN A 51 -3.285 -10.062 3.525 1.00 1.50 O ATOM 630 ND2 ASN A 51 -2.362 -9.350 5.436 1.00 1.34 N ATOM 0 H ASN A 51 -0.295 -10.886 2.994 1.00 0.55 H new ATOM 0 HA ASN A 51 -2.006 -9.286 1.416 1.00 0.50 H new ATOM 0 HB2 ASN A 51 -0.438 -8.637 3.940 1.00 0.59 H new ATOM 0 HB3 ASN A 51 -1.681 -7.611 3.252 1.00 0.59 H new ATOM 0 HD21 ASN A 51 -3.056 -9.837 6.003 1.00 1.34 H new ATOM 0 HD22 ASN A 51 -1.625 -8.807 5.886 1.00 1.34 H new ATOM 637 N VAL A 52 -0.594 -7.513 0.317 1.00 0.39 N ATOM 638 CA VAL A 52 0.257 -6.591 -0.409 1.00 0.34 C ATOM 639 C VAL A 52 0.523 -5.374 0.454 1.00 0.30 C ATOM 640 O VAL A 52 -0.372 -4.569 0.707 1.00 0.33 O ATOM 641 CB VAL A 52 -0.376 -6.145 -1.744 1.00 0.41 C ATOM 642 CG1 VAL A 52 0.582 -5.252 -2.525 1.00 0.39 C ATOM 643 CG2 VAL A 52 -0.782 -7.354 -2.574 1.00 0.50 C ATOM 0 H VAL A 52 -1.579 -7.486 0.053 1.00 0.39 H new ATOM 0 HA VAL A 52 1.188 -7.108 -0.642 1.00 0.34 H new ATOM 0 HB VAL A 52 -1.272 -5.567 -1.520 1.00 0.41 H new ATOM 0 HG11 VAL A 52 0.115 -4.950 -3.462 1.00 0.39 H new ATOM 0 HG12 VAL A 52 0.817 -4.367 -1.934 1.00 0.39 H new ATOM 0 HG13 VAL A 52 1.500 -5.801 -2.737 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -1.226 -7.019 -3.511 1.00 0.50 H new ATOM 0 HG22 VAL A 52 0.098 -7.962 -2.786 1.00 0.50 H new ATOM 0 HG23 VAL A 52 -1.509 -7.948 -2.020 1.00 0.50 H new ATOM 653 N THR A 53 1.752 -5.249 0.914 1.00 0.25 N ATOM 654 CA THR A 53 2.122 -4.144 1.763 1.00 0.23 C ATOM 655 C THR A 53 3.356 -3.461 1.209 1.00 0.21 C ATOM 656 O THR A 53 4.000 -3.965 0.283 1.00 0.23 O ATOM 657 CB THR A 53 2.370 -4.609 3.221 1.00 0.23 C ATOM 658 OG1 THR A 53 2.482 -3.479 4.093 1.00 1.05 O ATOM 659 CG2 THR A 53 3.631 -5.449 3.328 1.00 1.02 C ATOM 0 H THR A 53 2.509 -5.902 0.712 1.00 0.25 H new ATOM 0 HA THR A 53 1.295 -3.434 1.779 1.00 0.23 H new ATOM 0 HB THR A 53 1.517 -5.220 3.518 1.00 0.23 H new ATOM 0 HG1 THR A 53 1.646 -2.968 4.076 1.00 1.05 H new ATOM 0 HG21 THR A 53 3.775 -5.758 4.363 1.00 1.02 H new ATOM 0 HG22 THR A 53 3.535 -6.331 2.695 1.00 1.02 H new ATOM 0 HG23 THR A 53 4.489 -4.861 3.002 1.00 1.02 H new ATOM 667 N CYS A 54 3.678 -2.315 1.764 1.00 0.24 N ATOM 668 CA CYS A 54 4.808 -1.553 1.300 1.00 0.21 C ATOM 669 C CYS A 54 5.842 -1.455 2.406 1.00 0.24 C ATOM 670 O CYS A 54 5.522 -1.103 3.544 1.00 0.29 O ATOM 671 CB CYS A 54 4.356 -0.160 0.862 1.00 0.22 C ATOM 672 SG CYS A 54 5.645 0.810 0.025 1.00 0.19 S ATOM 0 H CYS A 54 3.169 -1.891 2.540 1.00 0.24 H new ATOM 0 HA CYS A 54 5.256 -2.054 0.442 1.00 0.21 H new ATOM 0 HB2 CYS A 54 3.501 -0.261 0.194 1.00 0.22 H new ATOM 0 HB3 CYS A 54 4.013 0.391 1.738 1.00 0.22 H new ATOM 677 N ILE A 55 7.080 -1.767 2.069 1.00 0.24 N ATOM 678 CA ILE A 55 8.161 -1.749 3.037 1.00 0.30 C ATOM 679 C ILE A 55 9.301 -0.906 2.506 1.00 0.28 C ATOM 680 O ILE A 55 9.331 -0.564 1.324 1.00 0.28 O ATOM 681 CB ILE A 55 8.684 -3.168 3.374 1.00 0.37 C ATOM 682 CG1 ILE A 55 9.151 -3.895 2.112 1.00 0.37 C ATOM 683 CG2 ILE A 55 7.606 -3.977 4.085 1.00 0.43 C ATOM 684 CD1 ILE A 55 9.988 -5.122 2.403 1.00 0.47 C ATOM 0 H ILE A 55 7.363 -2.037 1.127 1.00 0.24 H new ATOM 0 HA ILE A 55 7.763 -1.322 3.958 1.00 0.30 H new ATOM 0 HB ILE A 55 9.540 -3.063 4.041 1.00 0.37 H new ATOM 0 HG12 ILE A 55 8.280 -4.189 1.527 1.00 0.37 H new ATOM 0 HG13 ILE A 55 9.730 -3.206 1.497 1.00 0.37 H new ATOM 0 HG21 ILE A 55 7.989 -4.971 4.315 1.00 0.43 H new ATOM 0 HG22 ILE A 55 7.324 -3.474 5.010 1.00 0.43 H new ATOM 0 HG23 ILE A 55 6.732 -4.065 3.439 1.00 0.43 H new ATOM 0 HD11 ILE A 55 10.286 -5.590 1.465 1.00 0.47 H new ATOM 0 HD12 ILE A 55 10.877 -4.831 2.962 1.00 0.47 H new ATOM 0 HD13 ILE A 55 9.404 -5.829 2.992 1.00 0.47 H new ATOM 696 N VAL A 56 10.236 -0.571 3.372 1.00 0.37 N ATOM 697 CA VAL A 56 11.353 0.267 2.983 1.00 0.41 C ATOM 698 C VAL A 56 12.331 -0.521 2.109 1.00 0.44 C ATOM 699 O VAL A 56 12.613 -1.695 2.363 1.00 0.58 O ATOM 700 CB VAL A 56 12.072 0.853 4.224 1.00 0.57 C ATOM 701 CG1 VAL A 56 12.775 -0.232 5.030 1.00 0.74 C ATOM 702 CG2 VAL A 56 13.046 1.946 3.814 1.00 0.57 C ATOM 0 H VAL A 56 10.245 -0.865 4.349 1.00 0.37 H new ATOM 0 HA VAL A 56 10.964 1.102 2.401 1.00 0.41 H new ATOM 0 HB VAL A 56 11.313 1.295 4.869 1.00 0.57 H new ATOM 0 HG11 VAL A 56 13.268 0.217 5.892 1.00 0.74 H new ATOM 0 HG12 VAL A 56 12.043 -0.964 5.371 1.00 0.74 H new ATOM 0 HG13 VAL A 56 13.518 -0.726 4.404 1.00 0.74 H new ATOM 0 HG21 VAL A 56 13.540 2.344 4.700 1.00 0.57 H new ATOM 0 HG22 VAL A 56 13.793 1.532 3.137 1.00 0.57 H new ATOM 0 HG23 VAL A 56 12.504 2.746 3.311 1.00 0.57 H new ATOM 712 N ARG A 57 12.799 0.120 1.042 1.00 0.41 N ATOM 713 CA ARG A 57 13.763 -0.489 0.135 1.00 0.52 C ATOM 714 C ARG A 57 15.141 -0.469 0.781 1.00 0.70 C ATOM 715 O ARG A 57 15.948 -1.376 0.588 1.00 1.66 O ATOM 716 CB ARG A 57 13.773 0.269 -1.197 1.00 0.77 C ATOM 717 CG ARG A 57 14.602 -0.384 -2.287 1.00 1.01 C ATOM 718 CD ARG A 57 14.510 0.401 -3.586 1.00 2.08 C ATOM 719 NE ARG A 57 15.223 -0.257 -4.674 1.00 2.80 N ATOM 720 CZ ARG A 57 15.306 0.213 -5.913 1.00 3.80 C ATOM 721 NH1 ARG A 57 14.759 1.380 -6.238 1.00 4.23 N ATOM 722 NH2 ARG A 57 15.959 -0.486 -6.828 1.00 4.70 N ATOM 0 H ARG A 57 12.523 1.068 0.784 1.00 0.41 H new ATOM 0 HA ARG A 57 13.483 -1.524 -0.064 1.00 0.52 H new ATOM 0 HB2 ARG A 57 12.747 0.371 -1.550 1.00 0.77 H new ATOM 0 HB3 ARG A 57 14.152 1.276 -1.024 1.00 0.77 H new ATOM 0 HG2 ARG A 57 15.643 -0.447 -1.969 1.00 1.01 H new ATOM 0 HG3 ARG A 57 14.256 -1.405 -2.450 1.00 1.01 H new ATOM 0 HD2 ARG A 57 13.463 0.524 -3.861 1.00 2.08 H new ATOM 0 HD3 ARG A 57 14.920 1.400 -3.436 1.00 2.08 H new ATOM 0 HE ARG A 57 15.691 -1.140 -4.469 1.00 2.80 H new ATOM 0 HH11 ARG A 57 14.267 1.927 -5.531 1.00 4.23 H new ATOM 0 HH12 ARG A 57 14.831 1.728 -7.194 1.00 4.23 H new ATOM 0 HH21 ARG A 57 16.392 -1.375 -6.578 1.00 4.70 H new ATOM 0 HH22 ARG A 57 16.030 -0.135 -7.783 1.00 4.70 H new ATOM 736 N GLN A 58 15.374 0.583 1.555 1.00 0.89 N ATOM 737 CA GLN A 58 16.581 0.739 2.356 1.00 1.06 C ATOM 738 C GLN A 58 16.470 2.033 3.148 1.00 1.84 C ATOM 739 O GLN A 58 16.261 2.022 4.360 1.00 2.61 O ATOM 740 CB GLN A 58 17.841 0.762 1.483 1.00 1.42 C ATOM 741 CG GLN A 58 19.124 1.003 2.268 1.00 1.86 C ATOM 742 CD GLN A 58 19.344 -0.025 3.360 1.00 2.44 C ATOM 743 OE1 GLN A 58 18.906 0.153 4.496 1.00 3.32 O ATOM 744 NE2 GLN A 58 20.021 -1.111 3.020 1.00 2.56 N ATOM 0 H GLN A 58 14.722 1.362 1.645 1.00 0.89 H new ATOM 0 HA GLN A 58 16.670 -0.114 3.029 1.00 1.06 H new ATOM 0 HB2 GLN A 58 17.923 -0.187 0.953 1.00 1.42 H new ATOM 0 HB3 GLN A 58 17.735 1.541 0.728 1.00 1.42 H new ATOM 0 HG2 GLN A 58 19.972 0.987 1.584 1.00 1.86 H new ATOM 0 HG3 GLN A 58 19.092 1.998 2.712 1.00 1.86 H new ATOM 0 HE21 GLN A 58 20.367 -1.219 2.066 1.00 2.56 H new ATOM 0 HE22 GLN A 58 20.197 -1.840 3.712 1.00 2.56 H new ATOM 753 N GLU A 59 16.585 3.143 2.439 1.00 2.35 N ATOM 754 CA GLU A 59 16.388 4.461 3.018 1.00 3.39 C ATOM 755 C GLU A 59 15.602 5.330 2.045 1.00 3.51 C ATOM 756 O GLU A 59 14.416 5.589 2.242 1.00 3.94 O ATOM 757 CB GLU A 59 17.731 5.111 3.352 1.00 4.20 C ATOM 758 CG GLU A 59 18.459 4.466 4.515 1.00 4.78 C ATOM 759 CD GLU A 59 19.697 5.236 4.917 1.00 5.50 C ATOM 760 OE1 GLU A 59 20.487 5.609 4.026 1.00 5.99 O ATOM 761 OE2 GLU A 59 19.877 5.490 6.127 1.00 5.82 O ATOM 0 H GLU A 59 16.818 3.156 1.446 1.00 2.35 H new ATOM 0 HA GLU A 59 15.824 4.361 3.945 1.00 3.39 H new ATOM 0 HB2 GLU A 59 18.371 5.072 2.470 1.00 4.20 H new ATOM 0 HB3 GLU A 59 17.566 6.164 3.580 1.00 4.20 H new ATOM 0 HG2 GLU A 59 17.785 4.396 5.369 1.00 4.78 H new ATOM 0 HG3 GLU A 59 18.739 3.448 4.245 1.00 4.78 H new ATOM 768 N SER A 60 16.270 5.760 0.990 1.00 3.52 N ATOM 769 CA SER A 60 15.623 6.480 -0.094 1.00 3.65 C ATOM 770 C SER A 60 16.037 5.865 -1.423 1.00 3.70 C ATOM 771 O SER A 60 16.328 6.564 -2.395 1.00 4.27 O ATOM 772 CB SER A 60 15.997 7.960 -0.053 1.00 4.18 C ATOM 773 OG SER A 60 15.645 8.542 1.192 1.00 4.66 O ATOM 0 H SER A 60 17.272 5.621 0.860 1.00 3.52 H new ATOM 0 HA SER A 60 14.542 6.402 0.019 1.00 3.65 H new ATOM 0 HB2 SER A 60 17.068 8.072 -0.220 1.00 4.18 H new ATOM 0 HB3 SER A 60 15.491 8.489 -0.861 1.00 4.18 H new ATOM 0 HG SER A 60 15.896 9.489 1.193 1.00 4.66 H new ATOM 779 N GLY A 61 16.068 4.543 -1.446 1.00 3.38 N ATOM 780 CA GLY A 61 16.519 3.825 -2.613 1.00 3.73 C ATOM 781 C GLY A 61 17.315 2.599 -2.228 1.00 4.13 C ATOM 782 O GLY A 61 17.895 2.598 -1.121 1.00 4.74 O ATOM 783 OXT GLY A 61 17.369 1.643 -3.019 1.00 4.29 O ATOM 0 H GLY A 61 15.785 3.950 -0.666 1.00 3.38 H new ATOM 0 HA2 GLY A 61 15.660 3.529 -3.216 1.00 3.73 H new ATOM 0 HA3 GLY A 61 17.132 4.480 -3.232 1.00 3.73 H new TER 787 GLY A 61