USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 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 34 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 THR OG1 : rot -91:sc= 1.2 USER MOD Set 1.3: A 51 ASN : amide:sc= 0.142 X(o=1.3,f=1.5) USER MOD Single : A 6 GLN : amide:sc= 0.0792 X(o=0.079,f=-0.18) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 34:sc= 0.296 USER MOD Single : A 15 SER OG : rot -22:sc= 0.21 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= -0.0164 (180deg=-0.212) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.1) 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 -5:sc= 1.11 USER MOD Single : A 58 GLN :FLIP amide:sc= -0.0029 F(o=-1.2,f=-0.0029) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 5 -7.248 4.517 -1.738 1.00 1.05 N ATOM 2 CA VAL A 5 -7.743 5.902 -1.914 1.00 1.18 C ATOM 3 C VAL A 5 -8.586 6.020 -3.199 1.00 1.64 C ATOM 4 O VAL A 5 -8.518 7.010 -3.933 1.00 2.42 O ATOM 5 CB VAL A 5 -6.559 6.908 -1.922 1.00 1.97 C ATOM 6 CG1 VAL A 5 -5.678 6.731 -3.152 1.00 2.80 C ATOM 7 CG2 VAL A 5 -7.053 8.344 -1.792 1.00 2.59 C ATOM 0 HA VAL A 5 -8.387 6.149 -1.070 1.00 1.18 H new ATOM 0 HB VAL A 5 -5.942 6.691 -1.050 1.00 1.97 H new ATOM 0 HG11 VAL A 5 -4.861 7.452 -3.121 1.00 2.80 H new ATOM 0 HG12 VAL A 5 -5.269 5.721 -3.165 1.00 2.80 H new ATOM 0 HG13 VAL A 5 -6.272 6.893 -4.051 1.00 2.80 H new ATOM 0 HG21 VAL A 5 -6.201 9.024 -1.801 1.00 2.59 H new ATOM 0 HG22 VAL A 5 -7.713 8.579 -2.627 1.00 2.59 H new ATOM 0 HG23 VAL A 5 -7.598 8.458 -0.855 1.00 2.59 H new ATOM 17 N GLN A 6 -9.395 5.000 -3.467 1.00 1.99 N ATOM 18 CA GLN A 6 -10.284 5.023 -4.619 1.00 2.85 C ATOM 19 C GLN A 6 -11.502 5.876 -4.294 1.00 2.54 C ATOM 20 O GLN A 6 -11.948 6.682 -5.110 1.00 3.16 O ATOM 21 CB GLN A 6 -10.705 3.604 -5.007 1.00 3.91 C ATOM 22 CG GLN A 6 -11.554 3.532 -6.270 1.00 4.91 C ATOM 23 CD GLN A 6 -10.878 4.172 -7.468 1.00 6.00 C ATOM 24 OE1 GLN A 6 -10.141 3.520 -8.208 1.00 6.69 O ATOM 25 NE2 GLN A 6 -11.124 5.458 -7.668 1.00 6.45 N ATOM 0 H GLN A 6 -9.452 4.151 -2.904 1.00 1.99 H new ATOM 0 HA GLN A 6 -9.758 5.456 -5.470 1.00 2.85 H new ATOM 0 HB2 GLN A 6 -9.811 2.997 -5.148 1.00 3.91 H new ATOM 0 HB3 GLN A 6 -11.263 3.163 -4.181 1.00 3.91 H new ATOM 0 HG2 GLN A 6 -11.773 2.489 -6.496 1.00 4.91 H new ATOM 0 HG3 GLN A 6 -12.509 4.026 -6.090 1.00 4.91 H new ATOM 0 HE21 GLN A 6 -11.741 5.964 -7.032 1.00 6.45 H new ATOM 0 HE22 GLN A 6 -10.697 5.942 -8.458 1.00 6.45 H new ATOM 34 N LEU A 7 -12.024 5.695 -3.092 1.00 1.99 N ATOM 35 CA LEU A 7 -13.088 6.546 -2.587 1.00 1.82 C ATOM 36 C LEU A 7 -12.531 7.488 -1.531 1.00 2.14 C ATOM 37 O LEU A 7 -11.434 7.278 -1.010 1.00 2.82 O ATOM 38 CB LEU A 7 -14.262 5.733 -2.014 1.00 1.60 C ATOM 39 CG LEU A 7 -13.925 4.733 -0.894 1.00 1.56 C ATOM 40 CD1 LEU A 7 -15.191 4.329 -0.157 1.00 1.63 C ATOM 41 CD2 LEU A 7 -13.242 3.488 -1.452 1.00 2.29 C ATOM 0 H LEU A 7 -11.727 4.964 -2.446 1.00 1.99 H new ATOM 0 HA LEU A 7 -13.479 7.123 -3.425 1.00 1.82 H new ATOM 0 HB2 LEU A 7 -15.007 6.432 -1.634 1.00 1.60 H new ATOM 0 HB3 LEU A 7 -14.728 5.184 -2.832 1.00 1.60 H new ATOM 0 HG LEU A 7 -13.239 5.223 -0.203 1.00 1.56 H new ATOM 0 HD11 LEU A 7 -14.942 3.621 0.634 1.00 1.63 H new ATOM 0 HD12 LEU A 7 -15.655 5.213 0.280 1.00 1.63 H new ATOM 0 HD13 LEU A 7 -15.886 3.863 -0.856 1.00 1.63 H new ATOM 0 HD21 LEU A 7 -13.016 2.801 -0.637 1.00 2.29 H new ATOM 0 HD22 LEU A 7 -13.904 2.999 -2.166 1.00 2.29 H new ATOM 0 HD23 LEU A 7 -12.317 3.774 -1.952 1.00 2.29 H new ATOM 53 N SER A 8 -13.295 8.521 -1.222 1.00 2.20 N ATOM 54 CA SER A 8 -12.806 9.619 -0.405 1.00 2.72 C ATOM 55 C SER A 8 -13.234 9.506 1.058 1.00 2.76 C ATOM 56 O SER A 8 -12.713 10.221 1.913 1.00 3.10 O ATOM 57 CB SER A 8 -13.312 10.924 -1.003 1.00 3.21 C ATOM 58 OG SER A 8 -12.916 11.037 -2.363 1.00 3.77 O ATOM 0 H SER A 8 -14.263 8.623 -1.527 1.00 2.20 H new ATOM 0 HA SER A 8 -11.716 9.587 -0.407 1.00 2.72 H new ATOM 0 HB2 SER A 8 -14.399 10.967 -0.930 1.00 3.21 H new ATOM 0 HB3 SER A 8 -12.921 11.767 -0.433 1.00 3.21 H new ATOM 0 HG SER A 8 -13.251 11.881 -2.732 1.00 3.77 H new ATOM 64 N GLU A 9 -14.173 8.615 1.350 1.00 2.62 N ATOM 65 CA GLU A 9 -14.654 8.448 2.718 1.00 2.82 C ATOM 66 C GLU A 9 -13.693 7.556 3.501 1.00 2.50 C ATOM 67 O GLU A 9 -12.715 8.033 4.076 1.00 2.64 O ATOM 68 CB GLU A 9 -16.065 7.860 2.721 1.00 3.14 C ATOM 69 CG GLU A 9 -17.044 8.658 1.880 1.00 3.67 C ATOM 70 CD GLU A 9 -18.442 8.082 1.894 1.00 4.14 C ATOM 71 OE1 GLU A 9 -18.664 7.031 1.254 1.00 4.59 O ATOM 72 OE2 GLU A 9 -19.332 8.695 2.522 1.00 4.39 O ATOM 0 H GLU A 9 -14.614 8.001 0.665 1.00 2.62 H new ATOM 0 HA GLU A 9 -14.695 9.424 3.201 1.00 2.82 H new ATOM 0 HB2 GLU A 9 -16.026 6.836 2.349 1.00 3.14 H new ATOM 0 HB3 GLU A 9 -16.430 7.813 3.747 1.00 3.14 H new ATOM 0 HG2 GLU A 9 -17.076 9.684 2.246 1.00 3.67 H new ATOM 0 HG3 GLU A 9 -16.684 8.697 0.852 1.00 3.67 H new ATOM 79 N THR A 10 -13.965 6.264 3.513 1.00 2.14 N ATOM 80 CA THR A 10 -13.004 5.299 4.008 1.00 1.81 C ATOM 81 C THR A 10 -12.700 4.300 2.922 1.00 1.38 C ATOM 82 O THR A 10 -13.573 3.536 2.510 1.00 1.31 O ATOM 83 CB THR A 10 -13.484 4.544 5.258 1.00 1.90 C ATOM 84 OG1 THR A 10 -14.805 4.026 5.046 1.00 2.04 O ATOM 85 CG2 THR A 10 -13.470 5.451 6.475 1.00 2.42 C ATOM 0 H THR A 10 -14.843 5.860 3.186 1.00 2.14 H new ATOM 0 HA THR A 10 -12.115 5.860 4.295 1.00 1.81 H new ATOM 0 HB THR A 10 -12.801 3.714 5.439 1.00 1.90 H new ATOM 0 HG1 THR A 10 -14.908 3.767 4.107 1.00 2.04 H new ATOM 0 HG21 THR A 10 -13.814 4.895 7.347 1.00 2.42 H new ATOM 0 HG22 THR A 10 -12.456 5.810 6.650 1.00 2.42 H new ATOM 0 HG23 THR A 10 -14.131 6.301 6.303 1.00 2.42 H new ATOM 93 N PRO A 11 -11.467 4.311 2.427 1.00 1.30 N ATOM 94 CA PRO A 11 -11.030 3.383 1.394 1.00 1.17 C ATOM 95 C PRO A 11 -11.108 1.960 1.919 1.00 0.93 C ATOM 96 O PRO A 11 -10.254 1.536 2.675 1.00 1.52 O ATOM 97 CB PRO A 11 -9.576 3.803 1.126 1.00 1.41 C ATOM 98 CG PRO A 11 -9.460 5.181 1.687 1.00 1.69 C ATOM 99 CD PRO A 11 -10.388 5.206 2.861 1.00 1.58 C ATOM 0 HA PRO A 11 -11.640 3.410 0.491 1.00 1.17 H new ATOM 0 HB2 PRO A 11 -8.874 3.121 1.606 1.00 1.41 H new ATOM 0 HB3 PRO A 11 -9.353 3.791 0.059 1.00 1.41 H new ATOM 0 HG2 PRO A 11 -8.436 5.398 1.990 1.00 1.69 H new ATOM 0 HG3 PRO A 11 -9.740 5.932 0.948 1.00 1.69 H new ATOM 0 HD2 PRO A 11 -9.904 4.848 3.770 1.00 1.58 H new ATOM 0 HD3 PRO A 11 -10.753 6.212 3.069 1.00 1.58 H new ATOM 107 N ALA A 12 -12.156 1.244 1.525 1.00 0.86 N ATOM 108 CA ALA A 12 -12.477 -0.062 2.100 1.00 0.68 C ATOM 109 C ALA A 12 -11.289 -1.020 2.080 1.00 0.67 C ATOM 110 O ALA A 12 -11.109 -1.819 3.000 1.00 1.42 O ATOM 111 CB ALA A 12 -13.665 -0.672 1.372 1.00 0.91 C ATOM 0 H ALA A 12 -12.806 1.549 0.801 1.00 0.86 H new ATOM 0 HA ALA A 12 -12.734 0.099 3.147 1.00 0.68 H new ATOM 0 HB1 ALA A 12 -13.898 -1.644 1.806 1.00 0.91 H new ATOM 0 HB2 ALA A 12 -14.529 -0.015 1.471 1.00 0.91 H new ATOM 0 HB3 ALA A 12 -13.421 -0.795 0.317 1.00 0.91 H new ATOM 117 N ALA A 13 -10.472 -0.933 1.045 1.00 0.64 N ATOM 118 CA ALA A 13 -9.307 -1.791 0.944 1.00 0.53 C ATOM 119 C ALA A 13 -8.130 -1.207 1.723 1.00 0.47 C ATOM 120 O ALA A 13 -7.377 -1.933 2.371 1.00 0.58 O ATOM 121 CB ALA A 13 -8.941 -2.006 -0.514 1.00 0.59 C ATOM 0 H ALA A 13 -10.593 -0.282 0.269 1.00 0.64 H new ATOM 0 HA ALA A 13 -9.549 -2.758 1.386 1.00 0.53 H new ATOM 0 HB1 ALA A 13 -8.065 -2.652 -0.578 1.00 0.59 H new ATOM 0 HB2 ALA A 13 -9.776 -2.475 -1.033 1.00 0.59 H new ATOM 0 HB3 ALA A 13 -8.718 -1.045 -0.979 1.00 0.59 H new ATOM 127 N CYS A 14 -8.004 0.114 1.696 1.00 0.43 N ATOM 128 CA CYS A 14 -6.875 0.786 2.332 1.00 0.48 C ATOM 129 C CYS A 14 -7.114 0.986 3.825 1.00 0.53 C ATOM 130 O CYS A 14 -6.175 1.198 4.589 1.00 0.62 O ATOM 131 CB CYS A 14 -6.620 2.131 1.663 1.00 0.59 C ATOM 132 SG CYS A 14 -6.500 2.031 -0.147 1.00 1.47 S ATOM 0 H CYS A 14 -8.668 0.741 1.242 1.00 0.43 H new ATOM 0 HA CYS A 14 -5.998 0.150 2.212 1.00 0.48 H new ATOM 0 HB2 CYS A 14 -7.424 2.818 1.928 1.00 0.59 H new ATOM 0 HB3 CYS A 14 -5.696 2.554 2.057 1.00 0.59 H new ATOM 137 N SER A 15 -8.372 0.898 4.235 1.00 0.60 N ATOM 138 CA SER A 15 -8.751 1.034 5.635 1.00 0.70 C ATOM 139 C SER A 15 -8.230 -0.166 6.433 1.00 0.71 C ATOM 140 O SER A 15 -8.279 -0.182 7.662 1.00 0.87 O ATOM 141 CB SER A 15 -10.284 1.177 5.755 1.00 0.83 C ATOM 142 OG SER A 15 -10.692 1.383 7.098 1.00 1.36 O ATOM 0 H SER A 15 -9.158 0.730 3.607 1.00 0.60 H new ATOM 0 HA SER A 15 -8.300 1.935 6.052 1.00 0.70 H new ATOM 0 HB2 SER A 15 -10.620 2.013 5.141 1.00 0.83 H new ATOM 0 HB3 SER A 15 -10.764 0.280 5.363 1.00 0.83 H new ATOM 0 HG SER A 15 -10.000 1.048 7.705 1.00 1.36 H new ATOM 148 N SER A 16 -7.719 -1.166 5.716 1.00 0.67 N ATOM 149 CA SER A 16 -7.108 -2.330 6.339 1.00 0.83 C ATOM 150 C SER A 16 -5.612 -2.096 6.586 1.00 0.76 C ATOM 151 O SER A 16 -4.909 -2.965 7.107 1.00 0.87 O ATOM 152 CB SER A 16 -7.304 -3.558 5.450 1.00 1.00 C ATOM 153 OG SER A 16 -8.658 -3.677 5.043 1.00 1.64 O ATOM 0 H SER A 16 -7.718 -1.189 4.696 1.00 0.67 H new ATOM 0 HA SER A 16 -7.592 -2.499 7.301 1.00 0.83 H new ATOM 0 HB2 SER A 16 -6.662 -3.483 4.573 1.00 1.00 H new ATOM 0 HB3 SER A 16 -7.002 -4.455 5.990 1.00 1.00 H new ATOM 0 HG SER A 16 -8.760 -4.468 4.474 1.00 1.64 H new ATOM 159 N ASN A 17 -5.152 -0.902 6.195 1.00 0.63 N ATOM 160 CA ASN A 17 -3.749 -0.494 6.331 1.00 0.65 C ATOM 161 C ASN A 17 -2.808 -1.430 5.572 1.00 0.59 C ATOM 162 O ASN A 17 -2.013 -2.149 6.179 1.00 0.77 O ATOM 163 CB ASN A 17 -3.337 -0.403 7.808 1.00 0.88 C ATOM 164 CG ASN A 17 -3.690 0.935 8.424 1.00 0.99 C ATOM 165 OD1 ASN A 17 -2.886 1.865 8.406 1.00 1.37 O ATOM 166 ND2 ASN A 17 -4.882 1.038 8.987 1.00 1.69 N ATOM 0 H ASN A 17 -5.746 -0.188 5.773 1.00 0.63 H new ATOM 0 HA ASN A 17 -3.663 0.498 5.887 1.00 0.65 H new ATOM 0 HB2 ASN A 17 -3.827 -1.199 8.369 1.00 0.88 H new ATOM 0 HB3 ASN A 17 -2.263 -0.567 7.894 1.00 0.88 H new ATOM 0 HD21 ASN A 17 -5.164 1.913 9.428 1.00 1.69 H new ATOM 0 HD22 ASN A 17 -5.520 0.242 8.980 1.00 1.69 H new ATOM 173 N PRO A 18 -2.864 -1.408 4.229 1.00 0.42 N ATOM 174 CA PRO A 18 -2.061 -2.290 3.387 1.00 0.44 C ATOM 175 C PRO A 18 -0.618 -1.808 3.247 1.00 0.42 C ATOM 176 O PRO A 18 0.286 -2.347 3.884 1.00 0.54 O ATOM 177 CB PRO A 18 -2.775 -2.255 2.024 1.00 0.43 C ATOM 178 CG PRO A 18 -3.958 -1.353 2.193 1.00 0.52 C ATOM 179 CD PRO A 18 -3.696 -0.522 3.416 1.00 0.36 C ATOM 0 HA PRO A 18 -1.987 -3.291 3.812 1.00 0.44 H new ATOM 0 HB2 PRO A 18 -2.109 -1.882 1.246 1.00 0.43 H new ATOM 0 HB3 PRO A 18 -3.088 -3.255 1.723 1.00 0.43 H new ATOM 0 HG2 PRO A 18 -4.090 -0.720 1.316 1.00 0.52 H new ATOM 0 HG3 PRO A 18 -4.874 -1.933 2.308 1.00 0.52 H new ATOM 0 HD2 PRO A 18 -3.181 0.407 3.172 1.00 0.36 H new ATOM 0 HD3 PRO A 18 -4.619 -0.250 3.927 1.00 0.36 H new ATOM 187 N CYS A 19 -0.416 -0.764 2.445 1.00 0.33 N ATOM 188 CA CYS A 19 0.919 -0.238 2.171 1.00 0.35 C ATOM 189 C CYS A 19 1.437 0.627 3.323 1.00 0.41 C ATOM 190 O CYS A 19 2.310 1.473 3.127 1.00 0.55 O ATOM 191 CB CYS A 19 0.873 0.585 0.885 1.00 0.31 C ATOM 192 SG CYS A 19 -0.671 0.371 -0.066 1.00 0.29 S ATOM 0 H CYS A 19 -1.167 -0.263 1.970 1.00 0.33 H new ATOM 0 HA CYS A 19 1.604 -1.079 2.060 1.00 0.35 H new ATOM 0 HB2 CYS A 19 0.993 1.639 1.134 1.00 0.31 H new ATOM 0 HB3 CYS A 19 1.719 0.308 0.256 1.00 0.31 H new ATOM 197 N GLY A 20 0.912 0.394 4.522 1.00 0.52 N ATOM 198 CA GLY A 20 1.299 1.183 5.676 1.00 0.62 C ATOM 199 C GLY A 20 0.808 2.611 5.572 1.00 0.64 C ATOM 200 O GLY A 20 -0.395 2.844 5.437 1.00 0.69 O ATOM 0 H GLY A 20 0.222 -0.332 4.715 1.00 0.52 H new ATOM 0 HA2 GLY A 20 0.897 0.726 6.580 1.00 0.62 H new ATOM 0 HA3 GLY A 20 2.385 1.178 5.772 1.00 0.62 H new ATOM 204 N PRO A 21 1.715 3.592 5.644 1.00 0.67 N ATOM 205 CA PRO A 21 1.374 4.997 5.470 1.00 0.72 C ATOM 206 C PRO A 21 1.410 5.403 4.000 1.00 0.68 C ATOM 207 O PRO A 21 2.132 4.809 3.197 1.00 0.59 O ATOM 208 CB PRO A 21 2.482 5.694 6.248 1.00 0.80 C ATOM 209 CG PRO A 21 3.672 4.828 6.028 1.00 0.83 C ATOM 210 CD PRO A 21 3.156 3.414 5.906 1.00 0.70 C ATOM 0 HA PRO A 21 0.368 5.243 5.810 1.00 0.72 H new ATOM 0 HB2 PRO A 21 2.651 6.707 5.882 1.00 0.80 H new ATOM 0 HB3 PRO A 21 2.237 5.775 7.307 1.00 0.80 H new ATOM 0 HG2 PRO A 21 4.207 5.125 5.126 1.00 0.83 H new ATOM 0 HG3 PRO A 21 4.374 4.915 6.858 1.00 0.83 H new ATOM 0 HD2 PRO A 21 3.648 2.876 5.095 1.00 0.70 H new ATOM 0 HD3 PRO A 21 3.330 2.844 6.818 1.00 0.70 H new ATOM 218 N GLU A 22 0.648 6.435 3.654 1.00 0.81 N ATOM 219 CA GLU A 22 0.587 6.909 2.276 1.00 0.88 C ATOM 220 C GLU A 22 1.909 7.573 1.882 1.00 0.73 C ATOM 221 O GLU A 22 2.116 7.943 0.724 1.00 0.79 O ATOM 222 CB GLU A 22 -0.576 7.892 2.094 1.00 1.14 C ATOM 223 CG GLU A 22 -1.938 7.331 2.490 1.00 1.99 C ATOM 224 CD GLU A 22 -2.383 6.152 1.641 1.00 2.51 C ATOM 225 OE1 GLU A 22 -2.851 6.375 0.498 1.00 2.49 O ATOM 226 OE2 GLU A 22 -2.304 5.004 2.125 1.00 3.42 O ATOM 0 H GLU A 22 0.065 6.958 4.307 1.00 0.81 H new ATOM 0 HA GLU A 22 0.419 6.051 1.625 1.00 0.88 H new ATOM 0 HB2 GLU A 22 -0.378 8.785 2.686 1.00 1.14 H new ATOM 0 HB3 GLU A 22 -0.614 8.203 1.050 1.00 1.14 H new ATOM 0 HG2 GLU A 22 -1.904 7.023 3.535 1.00 1.99 H new ATOM 0 HG3 GLU A 22 -2.683 8.123 2.415 1.00 1.99 H new ATOM 233 N ALA A 23 2.795 7.739 2.864 1.00 0.65 N ATOM 234 CA ALA A 23 4.150 8.223 2.614 1.00 0.57 C ATOM 235 C ALA A 23 5.012 7.101 2.058 1.00 0.46 C ATOM 236 O ALA A 23 5.891 7.331 1.228 1.00 0.46 O ATOM 237 CB ALA A 23 4.778 8.761 3.888 1.00 0.57 C ATOM 0 H ALA A 23 2.596 7.544 3.845 1.00 0.65 H new ATOM 0 HA ALA A 23 4.090 9.032 1.886 1.00 0.57 H new ATOM 0 HB1 ALA A 23 5.787 9.115 3.675 1.00 0.57 H new ATOM 0 HB2 ALA A 23 4.177 9.586 4.270 1.00 0.57 H new ATOM 0 HB3 ALA A 23 4.822 7.968 4.635 1.00 0.57 H new ATOM 243 N ALA A 24 4.749 5.887 2.524 1.00 0.41 N ATOM 244 CA ALA A 24 5.478 4.721 2.060 1.00 0.34 C ATOM 245 C ALA A 24 5.056 4.392 0.638 1.00 0.29 C ATOM 246 O ALA A 24 5.884 4.285 -0.267 1.00 0.29 O ATOM 247 CB ALA A 24 5.241 3.534 2.986 1.00 0.41 C ATOM 0 H ALA A 24 4.035 5.687 3.224 1.00 0.41 H new ATOM 0 HA ALA A 24 6.546 4.940 2.070 1.00 0.34 H new ATOM 0 HB1 ALA A 24 5.796 2.670 2.620 1.00 0.41 H new ATOM 0 HB2 ALA A 24 5.580 3.784 3.992 1.00 0.41 H new ATOM 0 HB3 ALA A 24 4.177 3.298 3.010 1.00 0.41 H new ATOM 253 N GLY A 25 3.758 4.272 0.439 1.00 0.34 N ATOM 254 CA GLY A 25 3.241 4.008 -0.877 1.00 0.39 C ATOM 255 C GLY A 25 1.811 4.448 -1.013 1.00 0.46 C ATOM 256 O GLY A 25 1.113 4.616 -0.017 1.00 0.61 O ATOM 0 H GLY A 25 3.051 4.353 1.170 1.00 0.34 H new ATOM 0 HA2 GLY A 25 3.852 4.524 -1.618 1.00 0.39 H new ATOM 0 HA3 GLY A 25 3.315 2.941 -1.089 1.00 0.39 H new ATOM 260 N THR A 26 1.380 4.645 -2.242 1.00 0.43 N ATOM 261 CA THR A 26 0.007 4.997 -2.511 1.00 0.52 C ATOM 262 C THR A 26 -0.832 3.727 -2.547 1.00 0.36 C ATOM 263 O THR A 26 -0.410 2.713 -3.109 1.00 0.28 O ATOM 264 CB THR A 26 -0.123 5.724 -3.859 1.00 0.69 C ATOM 265 OG1 THR A 26 0.976 6.628 -4.043 1.00 0.87 O ATOM 266 CG2 THR A 26 -1.432 6.495 -3.934 1.00 0.82 C ATOM 0 H THR A 26 1.967 4.566 -3.072 1.00 0.43 H new ATOM 0 HA THR A 26 -0.342 5.665 -1.723 1.00 0.52 H new ATOM 0 HB THR A 26 -0.112 4.974 -4.650 1.00 0.69 H new ATOM 0 HG1 THR A 26 0.884 7.084 -4.905 1.00 0.87 H new ATOM 0 HG21 THR A 26 -1.501 7.001 -4.897 1.00 0.82 H new ATOM 0 HG22 THR A 26 -2.268 5.804 -3.826 1.00 0.82 H new ATOM 0 HG23 THR A 26 -1.466 7.233 -3.133 1.00 0.82 H new ATOM 274 N CYS A 27 -2.008 3.776 -1.955 1.00 0.39 N ATOM 275 CA CYS A 27 -2.880 2.622 -1.946 1.00 0.33 C ATOM 276 C CYS A 27 -3.926 2.766 -3.042 1.00 0.29 C ATOM 277 O CYS A 27 -4.799 3.639 -2.988 1.00 0.32 O ATOM 278 CB CYS A 27 -3.542 2.473 -0.576 1.00 0.45 C ATOM 279 SG CYS A 27 -4.730 1.096 -0.464 1.00 1.42 S ATOM 0 H CYS A 27 -2.379 4.597 -1.477 1.00 0.39 H new ATOM 0 HA CYS A 27 -2.295 1.723 -2.138 1.00 0.33 H new ATOM 0 HB2 CYS A 27 -2.766 2.330 0.176 1.00 0.45 H new ATOM 0 HB3 CYS A 27 -4.056 3.402 -0.331 1.00 0.45 H new ATOM 284 N LYS A 28 -3.833 1.900 -4.036 1.00 0.35 N ATOM 285 CA LYS A 28 -4.690 1.975 -5.202 1.00 0.43 C ATOM 286 C LYS A 28 -5.656 0.807 -5.186 1.00 0.39 C ATOM 287 O LYS A 28 -5.291 -0.322 -5.492 1.00 0.39 O ATOM 288 CB LYS A 28 -3.833 1.973 -6.478 1.00 0.58 C ATOM 289 CG LYS A 28 -4.566 2.421 -7.741 1.00 0.83 C ATOM 290 CD LYS A 28 -5.500 1.350 -8.283 1.00 1.17 C ATOM 291 CE LYS A 28 -6.192 1.807 -9.559 1.00 1.52 C ATOM 292 NZ LYS A 28 -5.225 2.043 -10.666 1.00 1.92 N ATOM 0 H LYS A 28 -3.165 1.130 -4.056 1.00 0.35 H new ATOM 0 HA LYS A 28 -5.265 2.901 -5.185 1.00 0.43 H new ATOM 0 HB2 LYS A 28 -2.973 2.625 -6.323 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -3.445 0.967 -6.637 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -5.139 3.322 -7.524 1.00 0.83 H new ATOM 0 HG3 LYS A 28 -3.836 2.684 -8.507 1.00 0.83 H new ATOM 0 HD2 LYS A 28 -4.935 0.439 -8.481 1.00 1.17 H new ATOM 0 HD3 LYS A 28 -6.249 1.104 -7.530 1.00 1.17 H new ATOM 0 HE2 LYS A 28 -6.918 1.055 -9.867 1.00 1.52 H new ATOM 0 HE3 LYS A 28 -6.747 2.724 -9.361 1.00 1.52 H new ATOM 0 HZ1 LYS A 28 -5.741 2.136 -11.564 1.00 1.92 H new ATOM 0 HZ2 LYS A 28 -4.692 2.917 -10.481 1.00 1.92 H new ATOM 0 HZ3 LYS A 28 -4.565 1.241 -10.727 1.00 1.92 H new ATOM 306 N GLU A 29 -6.883 1.087 -4.806 1.00 0.40 N ATOM 307 CA GLU A 29 -7.896 0.058 -4.705 1.00 0.41 C ATOM 308 C GLU A 29 -8.353 -0.372 -6.087 1.00 0.42 C ATOM 309 O GLU A 29 -8.794 0.444 -6.895 1.00 0.49 O ATOM 310 CB GLU A 29 -9.060 0.567 -3.866 1.00 0.50 C ATOM 311 CG GLU A 29 -8.639 0.890 -2.446 1.00 0.60 C ATOM 312 CD GLU A 29 -9.638 1.742 -1.705 1.00 0.85 C ATOM 313 OE1 GLU A 29 -9.531 2.988 -1.796 1.00 1.12 O ATOM 314 OE2 GLU A 29 -10.507 1.178 -1.009 1.00 1.66 O ATOM 0 H GLU A 29 -7.205 2.023 -4.561 1.00 0.40 H new ATOM 0 HA GLU A 29 -7.475 -0.818 -4.211 1.00 0.41 H new ATOM 0 HB2 GLU A 29 -9.479 1.459 -4.331 1.00 0.50 H new ATOM 0 HB3 GLU A 29 -9.850 -0.184 -3.848 1.00 0.50 H new ATOM 0 HG2 GLU A 29 -8.489 -0.041 -1.899 1.00 0.60 H new ATOM 0 HG3 GLU A 29 -7.679 1.405 -2.468 1.00 0.60 H new ATOM 321 N THR A 30 -8.218 -1.657 -6.355 1.00 0.39 N ATOM 322 CA THR A 30 -8.558 -2.209 -7.645 1.00 0.45 C ATOM 323 C THR A 30 -9.902 -2.918 -7.576 1.00 0.46 C ATOM 324 O THR A 30 -10.567 -2.895 -6.540 1.00 0.46 O ATOM 325 CB THR A 30 -7.475 -3.198 -8.118 1.00 0.53 C ATOM 326 OG1 THR A 30 -7.232 -4.174 -7.098 1.00 0.52 O ATOM 327 CG2 THR A 30 -6.180 -2.473 -8.448 1.00 0.62 C ATOM 0 H THR A 30 -7.870 -2.343 -5.684 1.00 0.39 H new ATOM 0 HA THR A 30 -8.620 -1.388 -8.360 1.00 0.45 H new ATOM 0 HB THR A 30 -7.834 -3.691 -9.022 1.00 0.53 H new ATOM 0 HG1 THR A 30 -6.544 -4.802 -7.403 1.00 0.52 H new ATOM 0 HG21 THR A 30 -5.433 -3.195 -8.779 1.00 0.62 H new ATOM 0 HG22 THR A 30 -6.361 -1.748 -9.242 1.00 0.62 H new ATOM 0 HG23 THR A 30 -5.816 -1.956 -7.560 1.00 0.62 H new ATOM 335 N ASN A 31 -10.300 -3.561 -8.659 1.00 0.54 N ATOM 336 CA ASN A 31 -11.538 -4.324 -8.659 1.00 0.64 C ATOM 337 C ASN A 31 -11.332 -5.618 -7.881 1.00 0.60 C ATOM 338 O ASN A 31 -12.265 -6.179 -7.307 1.00 0.89 O ATOM 339 CB ASN A 31 -11.986 -4.626 -10.090 1.00 0.86 C ATOM 340 CG ASN A 31 -13.340 -5.312 -10.138 1.00 1.71 C ATOM 341 OD1 ASN A 31 -13.430 -6.539 -10.134 1.00 2.43 O ATOM 342 ND2 ASN A 31 -14.403 -4.524 -10.177 1.00 2.38 N ATOM 0 H ASN A 31 -9.791 -3.572 -9.543 1.00 0.54 H new ATOM 0 HA ASN A 31 -12.320 -3.735 -8.180 1.00 0.64 H new ATOM 0 HB2 ASN A 31 -12.032 -3.697 -10.658 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -11.243 -5.259 -10.575 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -15.338 -4.930 -10.205 1.00 2.38 H new ATOM 0 HD22 ASN A 31 -14.287 -3.511 -10.179 1.00 2.38 H new ATOM 349 N SER A 32 -10.086 -6.064 -7.844 1.00 0.60 N ATOM 350 CA SER A 32 -9.717 -7.283 -7.139 1.00 0.65 C ATOM 351 C SER A 32 -9.472 -7.008 -5.657 1.00 0.53 C ATOM 352 O SER A 32 -9.308 -7.935 -4.863 1.00 0.79 O ATOM 353 CB SER A 32 -8.465 -7.876 -7.783 1.00 0.82 C ATOM 354 OG SER A 32 -8.650 -8.022 -9.182 1.00 1.44 O ATOM 0 H SER A 32 -9.304 -5.594 -8.300 1.00 0.60 H new ATOM 0 HA SER A 32 -10.539 -7.995 -7.212 1.00 0.65 H new ATOM 0 HB2 SER A 32 -7.608 -7.231 -7.588 1.00 0.82 H new ATOM 0 HB3 SER A 32 -8.243 -8.845 -7.336 1.00 0.82 H new ATOM 0 HG SER A 32 -7.839 -8.401 -9.581 1.00 1.44 H new ATOM 360 N GLY A 33 -9.457 -5.734 -5.296 1.00 0.36 N ATOM 361 CA GLY A 33 -9.209 -5.349 -3.922 1.00 0.37 C ATOM 362 C GLY A 33 -8.367 -4.099 -3.844 1.00 0.31 C ATOM 363 O GLY A 33 -8.893 -2.990 -3.898 1.00 0.35 O ATOM 0 H GLY A 33 -9.613 -4.955 -5.935 1.00 0.36 H new ATOM 0 HA2 GLY A 33 -10.158 -5.183 -3.412 1.00 0.37 H new ATOM 0 HA3 GLY A 33 -8.705 -6.162 -3.400 1.00 0.37 H new ATOM 367 N TYR A 34 -7.060 -4.273 -3.735 1.00 0.28 N ATOM 368 CA TYR A 34 -6.142 -3.146 -3.711 1.00 0.25 C ATOM 369 C TYR A 34 -4.768 -3.546 -4.223 1.00 0.30 C ATOM 370 O TYR A 34 -4.386 -4.715 -4.183 1.00 0.38 O ATOM 371 CB TYR A 34 -6.010 -2.586 -2.289 1.00 0.24 C ATOM 372 CG TYR A 34 -5.471 -3.584 -1.285 1.00 0.27 C ATOM 373 CD1 TYR A 34 -4.103 -3.755 -1.111 1.00 0.34 C ATOM 374 CD2 TYR A 34 -6.329 -4.353 -0.510 1.00 0.40 C ATOM 375 CE1 TYR A 34 -3.608 -4.671 -0.206 1.00 0.43 C ATOM 376 CE2 TYR A 34 -5.841 -5.267 0.401 1.00 0.48 C ATOM 377 CZ TYR A 34 -4.481 -5.421 0.552 1.00 0.48 C ATOM 378 OH TYR A 34 -3.994 -6.334 1.456 1.00 0.57 O ATOM 0 H TYR A 34 -6.610 -5.186 -3.662 1.00 0.28 H new ATOM 0 HA TYR A 34 -6.552 -2.377 -4.366 1.00 0.25 H new ATOM 0 HB2 TYR A 34 -5.353 -1.716 -2.311 1.00 0.24 H new ATOM 0 HB3 TYR A 34 -6.987 -2.239 -1.953 1.00 0.24 H new ATOM 0 HD1 TYR A 34 -3.415 -3.161 -1.694 1.00 0.34 H new ATOM 0 HD2 TYR A 34 -7.396 -4.234 -0.622 1.00 0.40 H new ATOM 0 HE1 TYR A 34 -2.542 -4.800 -0.092 1.00 0.43 H new ATOM 0 HE2 TYR A 34 -6.523 -5.859 0.993 1.00 0.48 H new ATOM 0 HH TYR A 34 -4.742 -6.777 1.908 1.00 0.57 H new ATOM 388 N ILE A 35 -4.048 -2.566 -4.726 1.00 0.32 N ATOM 389 CA ILE A 35 -2.639 -2.714 -5.025 1.00 0.36 C ATOM 390 C ILE A 35 -1.893 -1.551 -4.386 1.00 0.29 C ATOM 391 O ILE A 35 -2.495 -0.524 -4.069 1.00 0.29 O ATOM 392 CB ILE A 35 -2.349 -2.747 -6.547 1.00 0.48 C ATOM 393 CG1 ILE A 35 -2.820 -1.452 -7.216 1.00 0.50 C ATOM 394 CG2 ILE A 35 -3.006 -3.960 -7.193 1.00 0.59 C ATOM 395 CD1 ILE A 35 -2.441 -1.350 -8.678 1.00 0.64 C ATOM 0 H ILE A 35 -4.424 -1.642 -4.940 1.00 0.32 H new ATOM 0 HA ILE A 35 -2.304 -3.670 -4.622 1.00 0.36 H new ATOM 0 HB ILE A 35 -1.271 -2.829 -6.688 1.00 0.48 H new ATOM 0 HG12 ILE A 35 -3.904 -1.380 -7.125 1.00 0.50 H new ATOM 0 HG13 ILE A 35 -2.398 -0.602 -6.680 1.00 0.50 H new ATOM 0 HG21 ILE A 35 -2.790 -3.965 -8.261 1.00 0.59 H new ATOM 0 HG22 ILE A 35 -2.614 -4.871 -6.740 1.00 0.59 H new ATOM 0 HG23 ILE A 35 -4.084 -3.914 -7.041 1.00 0.59 H new ATOM 0 HD11 ILE A 35 -2.808 -0.407 -9.084 1.00 0.64 H new ATOM 0 HD12 ILE A 35 -1.356 -1.390 -8.776 1.00 0.64 H new ATOM 0 HD13 ILE A 35 -2.886 -2.179 -9.228 1.00 0.64 H new ATOM 407 N CYS A 36 -0.599 -1.698 -4.193 1.00 0.26 N ATOM 408 CA CYS A 36 0.176 -0.661 -3.542 1.00 0.23 C ATOM 409 C CYS A 36 1.281 -0.167 -4.451 1.00 0.25 C ATOM 410 O CYS A 36 1.966 -0.954 -5.102 1.00 0.29 O ATOM 411 CB CYS A 36 0.765 -1.171 -2.225 1.00 0.26 C ATOM 412 SG CYS A 36 -0.474 -1.457 -0.923 1.00 0.26 S ATOM 0 H CYS A 36 -0.064 -2.519 -4.475 1.00 0.26 H new ATOM 0 HA CYS A 36 -0.493 0.172 -3.324 1.00 0.23 H new ATOM 0 HB2 CYS A 36 1.300 -2.102 -2.414 1.00 0.26 H new ATOM 0 HB3 CYS A 36 1.498 -0.450 -1.863 1.00 0.26 H new ATOM 417 N ARG A 37 1.427 1.143 -4.516 1.00 0.26 N ATOM 418 CA ARG A 37 2.483 1.748 -5.302 1.00 0.30 C ATOM 419 C ARG A 37 3.418 2.516 -4.383 1.00 0.25 C ATOM 420 O ARG A 37 3.122 3.642 -3.989 1.00 0.28 O ATOM 421 CB ARG A 37 1.897 2.685 -6.362 1.00 0.38 C ATOM 422 CG ARG A 37 2.868 3.033 -7.486 1.00 0.83 C ATOM 423 CD ARG A 37 3.050 1.880 -8.466 1.00 1.27 C ATOM 424 NE ARG A 37 3.641 0.695 -7.843 1.00 2.34 N ATOM 425 CZ ARG A 37 3.343 -0.559 -8.184 1.00 3.30 C ATOM 426 NH1 ARG A 37 2.514 -0.806 -9.193 1.00 3.45 N ATOM 427 NH2 ARG A 37 3.889 -1.570 -7.521 1.00 4.43 N ATOM 0 H ARG A 37 0.825 1.809 -4.032 1.00 0.26 H new ATOM 0 HA ARG A 37 3.040 0.963 -5.813 1.00 0.30 H new ATOM 0 HB2 ARG A 37 1.010 2.220 -6.793 1.00 0.38 H new ATOM 0 HB3 ARG A 37 1.572 3.606 -5.878 1.00 0.38 H new ATOM 0 HG2 ARG A 37 2.502 3.909 -8.022 1.00 0.83 H new ATOM 0 HG3 ARG A 37 3.834 3.301 -7.059 1.00 0.83 H new ATOM 0 HD2 ARG A 37 2.083 1.616 -8.893 1.00 1.27 H new ATOM 0 HD3 ARG A 37 3.684 2.206 -9.290 1.00 1.27 H new ATOM 0 HE ARG A 37 4.325 0.838 -7.100 1.00 2.34 H new ATOM 0 HH11 ARG A 37 2.100 -0.033 -9.714 1.00 3.45 H new ATOM 0 HH12 ARG A 37 2.292 -1.769 -9.447 1.00 3.45 H new ATOM 0 HH21 ARG A 37 4.535 -1.387 -6.753 1.00 4.43 H new ATOM 0 HH22 ARG A 37 3.663 -2.531 -7.779 1.00 4.43 H new ATOM 441 N CYS A 38 4.541 1.911 -4.053 1.00 0.23 N ATOM 442 CA CYS A 38 5.479 2.505 -3.116 1.00 0.20 C ATOM 443 C CYS A 38 6.221 3.665 -3.756 1.00 0.22 C ATOM 444 O CYS A 38 6.568 3.623 -4.937 1.00 0.27 O ATOM 445 CB CYS A 38 6.466 1.448 -2.631 1.00 0.22 C ATOM 446 SG CYS A 38 5.692 0.105 -1.681 1.00 0.24 S ATOM 0 H CYS A 38 4.829 1.004 -4.421 1.00 0.23 H new ATOM 0 HA CYS A 38 4.920 2.890 -2.263 1.00 0.20 H new ATOM 0 HB2 CYS A 38 6.980 1.022 -3.492 1.00 0.22 H new ATOM 0 HB3 CYS A 38 7.224 1.928 -2.012 1.00 0.22 H new ATOM 451 N ASN A 39 6.449 4.708 -2.972 1.00 0.24 N ATOM 452 CA ASN A 39 7.180 5.874 -3.445 1.00 0.28 C ATOM 453 C ASN A 39 8.661 5.544 -3.552 1.00 0.28 C ATOM 454 O ASN A 39 9.103 4.496 -3.077 1.00 0.34 O ATOM 455 CB ASN A 39 6.967 7.073 -2.512 1.00 0.33 C ATOM 456 CG ASN A 39 5.552 7.623 -2.572 1.00 0.42 C ATOM 457 OD1 ASN A 39 5.240 8.477 -3.404 1.00 0.63 O ATOM 458 ND2 ASN A 39 4.692 7.163 -1.676 1.00 0.71 N ATOM 0 H ASN A 39 6.137 4.771 -2.003 1.00 0.24 H new ATOM 0 HA ASN A 39 6.800 6.144 -4.430 1.00 0.28 H new ATOM 0 HB2 ASN A 39 7.193 6.775 -1.488 1.00 0.33 H new ATOM 0 HB3 ASN A 39 7.670 7.863 -2.777 1.00 0.33 H new ATOM 0 HD21 ASN A 39 3.735 7.516 -1.659 1.00 0.71 H new ATOM 0 HD22 ASN A 39 4.986 6.456 -1.003 1.00 0.71 H new ATOM 465 N GLN A 40 9.422 6.426 -4.186 1.00 0.41 N ATOM 466 CA GLN A 40 10.846 6.197 -4.376 1.00 0.50 C ATOM 467 C GLN A 40 11.539 6.034 -3.027 1.00 0.52 C ATOM 468 O GLN A 40 11.521 6.938 -2.192 1.00 1.12 O ATOM 469 CB GLN A 40 11.478 7.339 -5.175 1.00 0.72 C ATOM 470 CG GLN A 40 12.936 7.090 -5.533 1.00 1.36 C ATOM 471 CD GLN A 40 13.144 5.776 -6.264 1.00 2.23 C ATOM 472 OE1 GLN A 40 13.401 4.741 -5.649 1.00 2.90 O ATOM 473 NE2 GLN A 40 13.019 5.804 -7.579 1.00 2.87 N ATOM 0 H GLN A 40 9.078 7.303 -4.576 1.00 0.41 H new ATOM 0 HA GLN A 40 10.975 5.277 -4.945 1.00 0.50 H new ATOM 0 HB2 GLN A 40 10.907 7.491 -6.091 1.00 0.72 H new ATOM 0 HB3 GLN A 40 11.405 8.261 -4.597 1.00 0.72 H new ATOM 0 HG2 GLN A 40 13.298 7.908 -6.155 1.00 1.36 H new ATOM 0 HG3 GLN A 40 13.535 7.093 -4.622 1.00 1.36 H new ATOM 0 HE21 GLN A 40 12.805 6.682 -8.052 1.00 2.87 H new ATOM 0 HE22 GLN A 40 13.136 4.948 -8.121 1.00 2.87 H new ATOM 482 N GLY A 41 12.131 4.870 -2.820 1.00 0.48 N ATOM 483 CA GLY A 41 12.732 4.565 -1.543 1.00 0.42 C ATOM 484 C GLY A 41 12.046 3.405 -0.856 1.00 0.33 C ATOM 485 O GLY A 41 12.574 2.842 0.102 1.00 0.38 O ATOM 0 H GLY A 41 12.206 4.129 -3.517 1.00 0.48 H new ATOM 0 HA2 GLY A 41 13.787 4.329 -1.686 1.00 0.42 H new ATOM 0 HA3 GLY A 41 12.686 5.445 -0.901 1.00 0.42 H new ATOM 489 N TYR A 42 10.869 3.047 -1.345 1.00 0.25 N ATOM 490 CA TYR A 42 10.100 1.951 -0.774 1.00 0.21 C ATOM 491 C TYR A 42 9.849 0.864 -1.822 1.00 0.22 C ATOM 492 O TYR A 42 10.007 1.099 -3.021 1.00 0.26 O ATOM 493 CB TYR A 42 8.776 2.470 -0.204 1.00 0.19 C ATOM 494 CG TYR A 42 8.941 3.366 1.009 1.00 0.24 C ATOM 495 CD1 TYR A 42 9.244 2.824 2.249 1.00 0.30 C ATOM 496 CD2 TYR A 42 8.782 4.745 0.917 1.00 0.34 C ATOM 497 CE1 TYR A 42 9.392 3.625 3.364 1.00 0.39 C ATOM 498 CE2 TYR A 42 8.928 5.556 2.031 1.00 0.42 C ATOM 499 CZ TYR A 42 9.232 4.988 3.253 1.00 0.43 C ATOM 500 OH TYR A 42 9.384 5.785 4.365 1.00 0.54 O ATOM 0 H TYR A 42 10.423 3.502 -2.141 1.00 0.25 H new ATOM 0 HA TYR A 42 10.677 1.511 0.039 1.00 0.21 H new ATOM 0 HB2 TYR A 42 8.247 3.021 -0.982 1.00 0.19 H new ATOM 0 HB3 TYR A 42 8.149 1.620 0.066 1.00 0.19 H new ATOM 0 HD1 TYR A 42 9.367 1.755 2.344 1.00 0.30 H new ATOM 0 HD2 TYR A 42 8.541 5.190 -0.037 1.00 0.34 H new ATOM 0 HE1 TYR A 42 9.632 3.184 4.320 1.00 0.39 H new ATOM 0 HE2 TYR A 42 8.805 6.625 1.944 1.00 0.42 H new ATOM 0 HH TYR A 42 9.240 6.722 4.118 1.00 0.54 H new ATOM 510 N ARG A 43 9.479 -0.327 -1.362 1.00 0.24 N ATOM 511 CA ARG A 43 9.266 -1.474 -2.240 1.00 0.31 C ATOM 512 C ARG A 43 8.104 -2.328 -1.740 1.00 0.24 C ATOM 513 O ARG A 43 7.762 -2.293 -0.555 1.00 0.21 O ATOM 514 CB ARG A 43 10.535 -2.325 -2.308 1.00 0.49 C ATOM 515 CG ARG A 43 10.999 -2.836 -0.952 1.00 0.57 C ATOM 516 CD ARG A 43 12.200 -3.756 -1.077 1.00 0.83 C ATOM 517 NE ARG A 43 12.799 -4.034 0.226 1.00 1.68 N ATOM 518 CZ ARG A 43 13.884 -4.785 0.412 1.00 2.22 C ATOM 519 NH1 ARG A 43 14.510 -5.344 -0.616 1.00 2.20 N ATOM 520 NH2 ARG A 43 14.350 -4.967 1.638 1.00 3.05 N ATOM 0 H ARG A 43 9.319 -0.525 -0.374 1.00 0.24 H new ATOM 0 HA ARG A 43 9.025 -1.102 -3.236 1.00 0.31 H new ATOM 0 HB2 ARG A 43 10.357 -3.176 -2.966 1.00 0.49 H new ATOM 0 HB3 ARG A 43 11.334 -1.736 -2.758 1.00 0.49 H new ATOM 0 HG2 ARG A 43 11.254 -1.991 -0.313 1.00 0.57 H new ATOM 0 HG3 ARG A 43 10.182 -3.369 -0.465 1.00 0.57 H new ATOM 0 HD2 ARG A 43 11.896 -4.692 -1.546 1.00 0.83 H new ATOM 0 HD3 ARG A 43 12.943 -3.299 -1.730 1.00 0.83 H new ATOM 0 HE ARG A 43 12.357 -3.626 1.049 1.00 1.68 H new ATOM 0 HH11 ARG A 43 14.162 -5.201 -1.564 1.00 2.20 H new ATOM 0 HH12 ARG A 43 15.339 -5.916 -0.458 1.00 2.20 H new ATOM 0 HH21 ARG A 43 13.879 -4.534 2.432 1.00 3.05 H new ATOM 0 HH22 ARG A 43 15.180 -5.541 1.788 1.00 3.05 H new ATOM 534 N ILE A 44 7.518 -3.102 -2.646 1.00 0.29 N ATOM 535 CA ILE A 44 6.373 -3.944 -2.319 1.00 0.27 C ATOM 536 C ILE A 44 6.805 -5.198 -1.568 1.00 0.28 C ATOM 537 O ILE A 44 7.795 -5.844 -1.920 1.00 0.33 O ATOM 538 CB ILE A 44 5.580 -4.343 -3.592 1.00 0.32 C ATOM 539 CG1 ILE A 44 4.822 -3.133 -4.134 1.00 0.33 C ATOM 540 CG2 ILE A 44 4.614 -5.492 -3.314 1.00 0.34 C ATOM 541 CD1 ILE A 44 3.903 -2.494 -3.114 1.00 0.28 C ATOM 0 H ILE A 44 7.819 -3.164 -3.619 1.00 0.29 H new ATOM 0 HA ILE A 44 5.721 -3.356 -1.673 1.00 0.27 H new ATOM 0 HB ILE A 44 6.294 -4.686 -4.340 1.00 0.32 H new ATOM 0 HG12 ILE A 44 5.540 -2.390 -4.482 1.00 0.33 H new ATOM 0 HG13 ILE A 44 4.235 -3.439 -5.000 1.00 0.33 H new ATOM 0 HG21 ILE A 44 4.076 -5.744 -4.228 1.00 0.34 H new ATOM 0 HG22 ILE A 44 5.173 -6.362 -2.970 1.00 0.34 H new ATOM 0 HG23 ILE A 44 3.902 -5.191 -2.545 1.00 0.34 H new ATOM 0 HD11 ILE A 44 3.396 -1.641 -3.565 1.00 0.28 H new ATOM 0 HD12 ILE A 44 3.163 -3.223 -2.784 1.00 0.28 H new ATOM 0 HD13 ILE A 44 4.488 -2.157 -2.258 1.00 0.28 H new ATOM 553 N SER A 45 6.059 -5.523 -0.526 1.00 0.28 N ATOM 554 CA SER A 45 6.297 -6.714 0.266 1.00 0.33 C ATOM 555 C SER A 45 4.960 -7.373 0.603 1.00 0.32 C ATOM 556 O SER A 45 3.933 -6.702 0.640 1.00 0.31 O ATOM 557 CB SER A 45 7.058 -6.335 1.547 1.00 0.39 C ATOM 558 OG SER A 45 7.235 -7.449 2.405 1.00 0.49 O ATOM 0 H SER A 45 5.268 -4.964 -0.205 1.00 0.28 H new ATOM 0 HA SER A 45 6.903 -7.423 -0.299 1.00 0.33 H new ATOM 0 HB2 SER A 45 8.031 -5.922 1.282 1.00 0.39 H new ATOM 0 HB3 SER A 45 6.513 -5.553 2.075 1.00 0.39 H new ATOM 0 HG SER A 45 7.724 -7.170 3.207 1.00 0.49 H new ATOM 564 N LEU A 46 4.959 -8.682 0.809 1.00 0.45 N ATOM 565 CA LEU A 46 3.751 -9.381 1.239 1.00 0.48 C ATOM 566 C LEU A 46 3.881 -9.788 2.703 1.00 0.62 C ATOM 567 O LEU A 46 4.969 -10.120 3.179 1.00 0.88 O ATOM 568 CB LEU A 46 3.486 -10.621 0.373 1.00 0.66 C ATOM 569 CG LEU A 46 3.340 -10.364 -1.130 1.00 0.71 C ATOM 570 CD1 LEU A 46 3.017 -11.660 -1.857 1.00 0.95 C ATOM 571 CD2 LEU A 46 2.266 -9.322 -1.401 1.00 0.66 C ATOM 0 H LEU A 46 5.775 -9.281 0.687 1.00 0.45 H new ATOM 0 HA LEU A 46 2.907 -8.701 1.123 1.00 0.48 H new ATOM 0 HB2 LEU A 46 4.302 -11.328 0.524 1.00 0.66 H new ATOM 0 HB3 LEU A 46 2.576 -11.103 0.730 1.00 0.66 H new ATOM 0 HG LEU A 46 4.288 -9.978 -1.504 1.00 0.71 H new ATOM 0 HD11 LEU A 46 2.916 -11.463 -2.924 1.00 0.95 H new ATOM 0 HD12 LEU A 46 3.821 -12.378 -1.695 1.00 0.95 H new ATOM 0 HD13 LEU A 46 2.082 -12.069 -1.473 1.00 0.95 H new ATOM 0 HD21 LEU A 46 2.182 -9.157 -2.475 1.00 0.66 H new ATOM 0 HD22 LEU A 46 1.311 -9.674 -1.012 1.00 0.66 H new ATOM 0 HD23 LEU A 46 2.535 -8.386 -0.911 1.00 0.66 H new ATOM 583 N ASP A 47 2.756 -9.753 3.409 1.00 0.57 N ATOM 584 CA ASP A 47 2.715 -10.049 4.843 1.00 0.81 C ATOM 585 C ASP A 47 3.068 -11.508 5.123 1.00 0.98 C ATOM 586 O ASP A 47 3.456 -11.858 6.237 1.00 1.62 O ATOM 587 CB ASP A 47 1.317 -9.769 5.397 1.00 0.94 C ATOM 588 CG ASP A 47 0.332 -10.866 5.038 1.00 1.86 C ATOM 589 OD1 ASP A 47 0.112 -11.101 3.829 1.00 2.52 O ATOM 590 OD2 ASP A 47 -0.199 -11.523 5.957 1.00 2.20 O ATOM 0 H ASP A 47 1.848 -9.520 3.008 1.00 0.57 H new ATOM 0 HA ASP A 47 3.450 -9.408 5.330 1.00 0.81 H new ATOM 0 HB2 ASP A 47 1.370 -9.670 6.481 1.00 0.94 H new ATOM 0 HB3 ASP A 47 0.957 -8.817 5.007 1.00 0.94 H new ATOM 595 N GLY A 48 2.913 -12.348 4.114 1.00 1.00 N ATOM 596 CA GLY A 48 3.136 -13.765 4.282 1.00 1.17 C ATOM 597 C GLY A 48 1.954 -14.567 3.793 1.00 1.17 C ATOM 598 O GLY A 48 2.102 -15.705 3.356 1.00 1.42 O ATOM 0 H GLY A 48 2.634 -12.070 3.173 1.00 1.00 H new ATOM 0 HA2 GLY A 48 4.031 -14.062 3.735 1.00 1.17 H new ATOM 0 HA3 GLY A 48 3.317 -13.985 5.334 1.00 1.17 H new ATOM 602 N THR A 49 0.771 -13.971 3.862 1.00 0.98 N ATOM 603 CA THR A 49 -0.428 -14.614 3.356 1.00 1.04 C ATOM 604 C THR A 49 -0.779 -14.053 1.982 1.00 0.95 C ATOM 605 O THR A 49 -1.684 -14.538 1.302 1.00 1.19 O ATOM 606 CB THR A 49 -1.618 -14.445 4.324 1.00 1.07 C ATOM 607 OG1 THR A 49 -1.857 -13.057 4.580 1.00 0.94 O ATOM 608 CG2 THR A 49 -1.354 -15.168 5.636 1.00 1.27 C ATOM 0 H THR A 49 0.619 -13.045 4.263 1.00 0.98 H new ATOM 0 HA THR A 49 -0.225 -15.681 3.269 1.00 1.04 H new ATOM 0 HB THR A 49 -2.500 -14.881 3.855 1.00 1.07 H new ATOM 0 HG1 THR A 49 -1.341 -12.775 5.364 1.00 0.94 H new ATOM 0 HG21 THR A 49 -2.206 -15.035 6.303 1.00 1.27 H new ATOM 0 HG22 THR A 49 -1.207 -16.231 5.443 1.00 1.27 H new ATOM 0 HG23 THR A 49 -0.460 -14.757 6.104 1.00 1.27 H new ATOM 616 N GLY A 50 -0.050 -13.017 1.586 1.00 0.79 N ATOM 617 CA GLY A 50 -0.177 -12.485 0.244 1.00 0.74 C ATOM 618 C GLY A 50 -0.839 -11.126 0.205 1.00 0.63 C ATOM 619 O GLY A 50 -1.248 -10.664 -0.861 1.00 0.70 O ATOM 0 H GLY A 50 0.630 -12.534 2.174 1.00 0.79 H new ATOM 0 HA2 GLY A 50 0.813 -12.414 -0.207 1.00 0.74 H new ATOM 0 HA3 GLY A 50 -0.755 -13.182 -0.363 1.00 0.74 H new ATOM 623 N ASN A 51 -0.953 -10.485 1.362 1.00 0.55 N ATOM 624 CA ASN A 51 -1.475 -9.125 1.429 1.00 0.50 C ATOM 625 C ASN A 51 -0.407 -8.149 0.965 1.00 0.39 C ATOM 626 O ASN A 51 0.753 -8.255 1.368 1.00 0.34 O ATOM 627 CB ASN A 51 -1.924 -8.777 2.852 1.00 0.59 C ATOM 628 CG ASN A 51 -3.195 -9.501 3.263 1.00 0.89 C ATOM 629 OD1 ASN A 51 -4.303 -9.007 3.052 1.00 1.50 O ATOM 630 ND2 ASN A 51 -3.047 -10.675 3.850 1.00 1.34 N ATOM 0 H ASN A 51 -0.692 -10.883 2.264 1.00 0.55 H new ATOM 0 HA ASN A 51 -2.344 -9.054 0.775 1.00 0.50 H new ATOM 0 HB2 ASN A 51 -1.126 -9.028 3.551 1.00 0.59 H new ATOM 0 HB3 ASN A 51 -2.085 -7.701 2.924 1.00 0.59 H new ATOM 0 HD21 ASN A 51 -3.867 -11.205 4.145 1.00 1.34 H new ATOM 0 HD22 ASN A 51 -2.112 -11.052 4.008 1.00 1.34 H new ATOM 637 N VAL A 52 -0.794 -7.213 0.111 1.00 0.39 N ATOM 638 CA VAL A 52 0.157 -6.288 -0.487 1.00 0.34 C ATOM 639 C VAL A 52 0.503 -5.170 0.485 1.00 0.30 C ATOM 640 O VAL A 52 -0.335 -4.331 0.811 1.00 0.33 O ATOM 641 CB VAL A 52 -0.390 -5.674 -1.795 1.00 0.41 C ATOM 642 CG1 VAL A 52 0.675 -4.822 -2.474 1.00 0.39 C ATOM 643 CG2 VAL A 52 -0.883 -6.763 -2.737 1.00 0.50 C ATOM 0 H VAL A 52 -1.761 -7.074 -0.184 1.00 0.39 H new ATOM 0 HA VAL A 52 1.055 -6.860 -0.721 1.00 0.34 H new ATOM 0 HB VAL A 52 -1.234 -5.033 -1.542 1.00 0.41 H new ATOM 0 HG11 VAL A 52 0.271 -4.398 -3.393 1.00 0.39 H new ATOM 0 HG12 VAL A 52 0.977 -4.016 -1.805 1.00 0.39 H new ATOM 0 HG13 VAL A 52 1.540 -5.441 -2.710 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -1.264 -6.308 -3.651 1.00 0.50 H new ATOM 0 HG22 VAL A 52 -0.059 -7.433 -2.981 1.00 0.50 H new ATOM 0 HG23 VAL A 52 -1.680 -7.329 -2.254 1.00 0.50 H new ATOM 653 N THR A 53 1.738 -5.174 0.949 1.00 0.25 N ATOM 654 CA THR A 53 2.208 -4.166 1.883 1.00 0.23 C ATOM 655 C THR A 53 3.403 -3.424 1.295 1.00 0.21 C ATOM 656 O THR A 53 3.870 -3.751 0.200 1.00 0.23 O ATOM 657 CB THR A 53 2.592 -4.797 3.243 1.00 0.23 C ATOM 658 OG1 THR A 53 3.624 -5.776 3.066 1.00 1.05 O ATOM 659 CG2 THR A 53 1.388 -5.458 3.900 1.00 1.02 C ATOM 0 H THR A 53 2.439 -5.869 0.693 1.00 0.25 H new ATOM 0 HA THR A 53 1.395 -3.460 2.055 1.00 0.23 H new ATOM 0 HB THR A 53 2.952 -3.995 3.888 1.00 0.23 H new ATOM 0 HG1 THR A 53 3.806 -5.890 2.110 1.00 1.05 H new ATOM 0 HG21 THR A 53 1.687 -5.893 4.854 1.00 1.02 H new ATOM 0 HG22 THR A 53 0.611 -4.713 4.069 1.00 1.02 H new ATOM 0 HG23 THR A 53 1.003 -6.242 3.248 1.00 1.02 H new ATOM 667 N CYS A 54 3.899 -2.433 2.014 1.00 0.24 N ATOM 668 CA CYS A 54 4.988 -1.615 1.518 1.00 0.21 C ATOM 669 C CYS A 54 6.049 -1.429 2.593 1.00 0.24 C ATOM 670 O CYS A 54 5.742 -1.077 3.737 1.00 0.29 O ATOM 671 CB CYS A 54 4.451 -0.260 1.058 1.00 0.22 C ATOM 672 SG CYS A 54 5.681 0.797 0.227 1.00 0.19 S ATOM 0 H CYS A 54 3.564 -2.176 2.943 1.00 0.24 H new ATOM 0 HA CYS A 54 5.449 -2.120 0.669 1.00 0.21 H new ATOM 0 HB2 CYS A 54 3.615 -0.426 0.379 1.00 0.22 H new ATOM 0 HB3 CYS A 54 4.057 0.273 1.923 1.00 0.22 H new ATOM 677 N ILE A 55 7.292 -1.668 2.218 1.00 0.24 N ATOM 678 CA ILE A 55 8.414 -1.542 3.131 1.00 0.30 C ATOM 679 C ILE A 55 9.517 -0.737 2.468 1.00 0.28 C ATOM 680 O ILE A 55 9.428 -0.430 1.281 1.00 0.28 O ATOM 681 CB ILE A 55 8.971 -2.918 3.554 1.00 0.37 C ATOM 682 CG1 ILE A 55 9.330 -3.750 2.322 1.00 0.37 C ATOM 683 CG2 ILE A 55 7.965 -3.661 4.422 1.00 0.43 C ATOM 684 CD1 ILE A 55 10.109 -5.001 2.650 1.00 0.47 C ATOM 0 H ILE A 55 7.552 -1.954 1.274 1.00 0.24 H new ATOM 0 HA ILE A 55 8.057 -1.035 4.027 1.00 0.30 H new ATOM 0 HB ILE A 55 9.876 -2.756 4.140 1.00 0.37 H new ATOM 0 HG12 ILE A 55 8.414 -4.028 1.801 1.00 0.37 H new ATOM 0 HG13 ILE A 55 9.914 -3.137 1.636 1.00 0.37 H new ATOM 0 HG21 ILE A 55 8.377 -4.628 4.709 1.00 0.43 H new ATOM 0 HG22 ILE A 55 7.755 -3.076 5.317 1.00 0.43 H new ATOM 0 HG23 ILE A 55 7.042 -3.812 3.862 1.00 0.43 H new ATOM 0 HD11 ILE A 55 10.330 -5.543 1.731 1.00 0.47 H new ATOM 0 HD12 ILE A 55 11.042 -4.730 3.145 1.00 0.47 H new ATOM 0 HD13 ILE A 55 9.518 -5.634 3.312 1.00 0.47 H new ATOM 696 N VAL A 56 10.548 -0.391 3.221 1.00 0.37 N ATOM 697 CA VAL A 56 11.668 0.360 2.664 1.00 0.41 C ATOM 698 C VAL A 56 12.410 -0.487 1.626 1.00 0.44 C ATOM 699 O VAL A 56 12.549 -1.700 1.784 1.00 0.58 O ATOM 700 CB VAL A 56 12.649 0.837 3.768 1.00 0.57 C ATOM 701 CG1 VAL A 56 13.335 -0.338 4.451 1.00 0.74 C ATOM 702 CG2 VAL A 56 13.675 1.810 3.203 1.00 0.57 C ATOM 0 H VAL A 56 10.636 -0.615 4.212 1.00 0.37 H new ATOM 0 HA VAL A 56 11.261 1.247 2.179 1.00 0.41 H new ATOM 0 HB VAL A 56 12.063 1.361 4.523 1.00 0.57 H new ATOM 0 HG11 VAL A 56 14.015 0.033 5.218 1.00 0.74 H new ATOM 0 HG12 VAL A 56 12.584 -0.980 4.911 1.00 0.74 H new ATOM 0 HG13 VAL A 56 13.898 -0.909 3.713 1.00 0.74 H new ATOM 0 HG21 VAL A 56 14.350 2.129 3.997 1.00 0.57 H new ATOM 0 HG22 VAL A 56 14.247 1.319 2.416 1.00 0.57 H new ATOM 0 HG23 VAL A 56 13.163 2.680 2.791 1.00 0.57 H new ATOM 712 N ARG A 57 12.847 0.151 0.549 1.00 0.41 N ATOM 713 CA ARG A 57 13.593 -0.536 -0.494 1.00 0.52 C ATOM 714 C ARG A 57 15.022 -0.763 -0.018 1.00 0.70 C ATOM 715 O ARG A 57 15.393 -1.871 0.366 1.00 1.66 O ATOM 716 CB ARG A 57 13.564 0.282 -1.789 1.00 0.77 C ATOM 717 CG ARG A 57 14.128 -0.444 -2.998 1.00 1.01 C ATOM 718 CD ARG A 57 13.937 0.372 -4.265 1.00 2.08 C ATOM 719 NE ARG A 57 12.524 0.669 -4.519 1.00 2.80 N ATOM 720 CZ ARG A 57 12.061 1.182 -5.658 1.00 3.80 C ATOM 721 NH1 ARG A 57 12.893 1.497 -6.641 1.00 4.23 N ATOM 722 NH2 ARG A 57 10.761 1.408 -5.794 1.00 4.70 N ATOM 0 H ARG A 57 12.697 1.145 0.375 1.00 0.41 H new ATOM 0 HA ARG A 57 13.135 -1.503 -0.702 1.00 0.52 H new ATOM 0 HB2 ARG A 57 12.534 0.570 -2.000 1.00 0.77 H new ATOM 0 HB3 ARG A 57 14.128 1.202 -1.637 1.00 0.77 H new ATOM 0 HG2 ARG A 57 15.189 -0.641 -2.845 1.00 1.01 H new ATOM 0 HG3 ARG A 57 13.637 -1.411 -3.107 1.00 1.01 H new ATOM 0 HD2 ARG A 57 14.495 1.305 -4.183 1.00 2.08 H new ATOM 0 HD3 ARG A 57 14.351 -0.173 -5.113 1.00 2.08 H new ATOM 0 HE ARG A 57 11.853 0.470 -3.777 1.00 2.80 H new ATOM 0 HH11 ARG A 57 13.896 1.347 -6.528 1.00 4.23 H new ATOM 0 HH12 ARG A 57 12.530 1.889 -7.510 1.00 4.23 H new ATOM 0 HH21 ARG A 57 10.123 1.189 -5.029 1.00 4.70 H new ATOM 0 HH22 ARG A 57 10.400 1.801 -6.663 1.00 4.70 H new ATOM 736 N GLN A 58 15.813 0.293 -0.030 1.00 0.89 N ATOM 737 CA GLN A 58 17.112 0.275 0.614 1.00 1.06 C ATOM 738 C GLN A 58 17.099 1.262 1.769 1.00 1.84 C ATOM 739 O GLN A 58 17.240 0.878 2.929 1.00 2.61 O ATOM 740 CB GLN A 58 18.213 0.630 -0.382 1.00 1.42 C ATOM 741 CG GLN A 58 19.606 0.651 0.222 1.00 1.86 C ATOM 742 CD GLN A 58 20.671 1.016 -0.794 1.00 2.44 C ATOM 743 OE1 GLN A 58 20.431 0.682 -2.053 1.00 3.32 O flip ATOM 744 NE2 GLN A 58 21.701 1.593 -0.447 1.00 2.56 N flip ATOM 0 H GLN A 58 15.577 1.177 -0.481 1.00 0.89 H new ATOM 0 HA GLN A 58 17.317 -0.727 0.991 1.00 1.06 H new ATOM 0 HB2 GLN A 58 18.194 -0.089 -1.201 1.00 1.42 H new ATOM 0 HB3 GLN A 58 17.999 1.609 -0.811 1.00 1.42 H new ATOM 0 HG2 GLN A 58 19.632 1.366 1.044 1.00 1.86 H new ATOM 0 HG3 GLN A 58 19.831 -0.328 0.644 1.00 1.86 H new ATOM 0 HE21 GLN A 58 21.846 1.832 0.534 1.00 2.56 H new ATOM 0 HE22 GLN A 58 22.410 1.832 -1.140 1.00 2.56 H new ATOM 753 N GLU A 59 16.893 2.532 1.430 1.00 2.35 N ATOM 754 CA GLU A 59 16.780 3.608 2.408 1.00 3.39 C ATOM 755 C GLU A 59 16.588 4.931 1.672 1.00 3.51 C ATOM 756 O GLU A 59 17.558 5.635 1.387 1.00 3.94 O ATOM 757 CB GLU A 59 18.024 3.670 3.299 1.00 4.20 C ATOM 758 CG GLU A 59 17.940 4.720 4.394 1.00 4.78 C ATOM 759 CD GLU A 59 19.191 4.765 5.240 1.00 5.50 C ATOM 760 OE1 GLU A 59 20.229 5.242 4.738 1.00 5.99 O ATOM 761 OE2 GLU A 59 19.148 4.316 6.403 1.00 5.82 O ATOM 0 H GLU A 59 16.799 2.844 0.463 1.00 2.35 H new ATOM 0 HA GLU A 59 15.920 3.417 3.051 1.00 3.39 H new ATOM 0 HB2 GLU A 59 18.182 2.693 3.756 1.00 4.20 H new ATOM 0 HB3 GLU A 59 18.895 3.875 2.677 1.00 4.20 H new ATOM 0 HG2 GLU A 59 17.772 5.699 3.944 1.00 4.78 H new ATOM 0 HG3 GLU A 59 17.080 4.510 5.031 1.00 4.78 H new ATOM 768 N SER A 60 15.332 5.247 1.353 1.00 3.52 N ATOM 769 CA SER A 60 15.008 6.392 0.500 1.00 3.65 C ATOM 770 C SER A 60 15.720 6.258 -0.844 1.00 3.70 C ATOM 771 O SER A 60 16.108 7.242 -1.479 1.00 4.27 O ATOM 772 CB SER A 60 15.365 7.709 1.194 1.00 4.18 C ATOM 773 OG SER A 60 14.567 7.886 2.352 1.00 4.66 O ATOM 0 H SER A 60 14.518 4.723 1.675 1.00 3.52 H new ATOM 0 HA SER A 60 13.933 6.403 0.318 1.00 3.65 H new ATOM 0 HB2 SER A 60 16.420 7.710 1.467 1.00 4.18 H new ATOM 0 HB3 SER A 60 15.213 8.542 0.508 1.00 4.18 H new ATOM 0 HG SER A 60 14.806 8.731 2.788 1.00 4.66 H new ATOM 779 N GLY A 61 15.858 5.010 -1.263 1.00 3.38 N ATOM 780 CA GLY A 61 16.540 4.673 -2.483 1.00 3.73 C ATOM 781 C GLY A 61 16.417 3.192 -2.733 1.00 4.13 C ATOM 782 O GLY A 61 16.582 2.753 -3.890 1.00 4.74 O ATOM 783 OXT GLY A 61 16.107 2.468 -1.761 1.00 4.29 O ATOM 0 H GLY A 61 15.494 4.203 -0.756 1.00 3.38 H new ATOM 0 HA2 GLY A 61 16.113 5.230 -3.317 1.00 3.73 H new ATOM 0 HA3 GLY A 61 17.591 4.955 -2.415 1.00 3.73 H new TER 787 GLY A 61