USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 TYR N :NH3+ -162:sc= 0.351 (180deg=-0.0987) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 56:sc= 0.253 USER MOD Single : A 7 GLN :FLIP amide:sc= -1.52! C(o=-4.1!,f=-1.5!) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.05 F(o=-2.3!,f=-1) USER MOD Single : A 9 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.48) USER MOD Single : A 13 SER OG : rot 180:sc= -0.457 USER MOD Single : A 23 HIS : no HD1:sc= -0.409 K(o=-0.41,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -2.03! C(o=-2!,f=-3.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 120:sc= -0.155 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0208 (180deg=-0.5) USER MOD Single : A 47 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.7) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 19.733 12.596 -19.724 1.00 18.99 N ATOM 2 CA TYR A 1 19.261 12.702 -18.313 1.00 17.68 C ATOM 3 C TYR A 1 17.880 12.052 -18.187 1.00 17.53 C ATOM 4 O TYR A 1 17.334 11.952 -17.107 1.00 16.77 O ATOM 5 CB TYR A 1 19.168 14.166 -17.885 1.00 18.10 C ATOM 6 CG TYR A 1 18.365 14.948 -18.925 1.00 19.40 C ATOM 7 CD1 TYR A 1 16.989 15.023 -18.837 1.00 20.02 C ATOM 8 CD2 TYR A 1 19.004 15.589 -19.968 1.00 20.05 C ATOM 9 CE1 TYR A 1 16.265 15.729 -19.776 1.00 21.26 C ATOM 10 CE2 TYR A 1 18.279 16.294 -20.906 1.00 21.22 C ATOM 11 CZ TYR A 1 16.904 16.369 -20.818 1.00 21.82 C ATOM 12 OH TYR A 1 16.179 17.074 -21.757 1.00 23.05 O ATOM 0 H1 TYR A 1 20.761 12.749 -19.759 1.00 18.99 H new ATOM 0 H2 TYR A 1 19.511 11.650 -20.094 1.00 18.99 H new ATOM 0 H3 TYR A 1 19.257 13.316 -20.304 1.00 18.99 H new ATOM 0 HA TYR A 1 19.975 12.191 -17.668 1.00 17.68 H new ATOM 0 HB2 TYR A 1 18.690 14.241 -16.908 1.00 18.10 H new ATOM 0 HB3 TYR A 1 20.167 14.591 -17.785 1.00 18.10 H new ATOM 0 HD1 TYR A 1 16.476 14.526 -18.027 1.00 20.02 H new ATOM 0 HD2 TYR A 1 20.080 15.538 -20.050 1.00 20.05 H new ATOM 0 HE1 TYR A 1 15.189 15.781 -19.695 1.00 21.26 H new ATOM 0 HE2 TYR A 1 18.792 16.791 -21.716 1.00 21.22 H new ATOM 0 HH TYR A 1 16.790 17.461 -22.418 1.00 23.05 H new ATOM 24 N ALA A 2 17.344 11.623 -19.298 1.00 18.33 N ATOM 25 CA ALA A 2 16.000 10.977 -19.261 1.00 18.32 C ATOM 26 C ALA A 2 16.146 9.459 -19.114 1.00 17.48 C ATOM 27 O ALA A 2 15.826 8.711 -20.016 1.00 18.25 O ATOM 28 CB ALA A 2 15.258 11.294 -20.559 1.00 19.78 C ATOM 0 H ALA A 2 17.773 11.691 -20.221 1.00 18.33 H new ATOM 0 HA ALA A 2 15.440 11.361 -18.408 1.00 18.32 H new ATOM 0 HB1 ALA A 2 14.274 10.825 -20.540 1.00 19.78 H new ATOM 0 HB2 ALA A 2 15.144 12.373 -20.658 1.00 19.78 H new ATOM 0 HB3 ALA A 2 15.826 10.910 -21.406 1.00 19.78 H new ATOM 34 N SER A 3 16.627 9.037 -17.976 1.00 16.00 N ATOM 35 CA SER A 3 16.800 7.571 -17.750 1.00 15.20 C ATOM 36 C SER A 3 15.600 7.008 -16.984 1.00 14.63 C ATOM 37 O SER A 3 15.475 7.199 -15.791 1.00 13.64 O ATOM 38 CB SER A 3 18.075 7.339 -16.940 1.00 13.95 C ATOM 39 OG SER A 3 18.088 8.403 -16.000 1.00 13.41 O ATOM 0 H SER A 3 16.906 9.636 -17.199 1.00 16.00 H new ATOM 0 HA SER A 3 16.872 7.065 -18.713 1.00 15.20 H new ATOM 0 HB2 SER A 3 18.060 6.369 -16.443 1.00 13.95 H new ATOM 0 HB3 SER A 3 18.960 7.358 -17.576 1.00 13.95 H new ATOM 0 HG SER A 3 17.254 8.395 -15.486 1.00 13.41 H new ATOM 45 N LEU A 4 14.740 6.323 -17.689 1.00 15.32 N ATOM 46 CA LEU A 4 13.543 5.737 -17.017 1.00 14.97 C ATOM 47 C LEU A 4 13.892 4.377 -16.404 1.00 14.28 C ATOM 48 O LEU A 4 13.021 3.640 -15.987 1.00 14.22 O ATOM 49 CB LEU A 4 12.427 5.563 -18.047 1.00 16.18 C ATOM 50 CG LEU A 4 11.618 6.857 -18.134 1.00 16.77 C ATOM 51 CD1 LEU A 4 12.551 8.010 -18.512 1.00 16.75 C ATOM 52 CD2 LEU A 4 10.543 6.707 -19.213 1.00 18.02 C ATOM 0 H LEU A 4 14.812 6.145 -18.691 1.00 15.32 H new ATOM 0 HA LEU A 4 13.214 6.406 -16.222 1.00 14.97 H new ATOM 0 HB2 LEU A 4 12.850 5.318 -19.021 1.00 16.18 H new ATOM 0 HB3 LEU A 4 11.779 4.733 -17.763 1.00 16.18 H new ATOM 0 HG LEU A 4 11.149 7.063 -17.172 1.00 16.77 H new ATOM 0 HD11 LEU A 4 11.979 8.935 -18.575 1.00 16.75 H new ATOM 0 HD12 LEU A 4 13.327 8.114 -17.753 1.00 16.75 H new ATOM 0 HD13 LEU A 4 13.013 7.803 -19.477 1.00 16.75 H new ATOM 0 HD21 LEU A 4 9.963 7.627 -19.279 1.00 18.02 H new ATOM 0 HD22 LEU A 4 11.017 6.507 -20.174 1.00 18.02 H new ATOM 0 HD23 LEU A 4 9.882 5.879 -18.956 1.00 18.02 H new ATOM 64 N GLU A 5 15.161 4.075 -16.364 1.00 13.96 N ATOM 65 CA GLU A 5 15.585 2.768 -15.783 1.00 13.64 C ATOM 66 C GLU A 5 15.891 2.927 -14.290 1.00 12.40 C ATOM 67 O GLU A 5 15.561 2.071 -13.492 1.00 11.94 O ATOM 68 CB GLU A 5 16.836 2.279 -16.510 1.00 14.11 C ATOM 69 CG GLU A 5 16.463 1.109 -17.423 1.00 15.26 C ATOM 70 CD GLU A 5 15.403 1.568 -18.427 1.00 16.22 C ATOM 71 OE1 GLU A 5 15.814 2.134 -19.426 1.00 16.90 O ATOM 72 OE2 GLU A 5 14.243 1.326 -18.137 1.00 16.30 O ATOM 0 H GLU A 5 15.917 4.670 -16.705 1.00 13.96 H new ATOM 0 HA GLU A 5 14.779 2.044 -15.902 1.00 13.64 H new ATOM 0 HB2 GLU A 5 17.270 3.089 -17.096 1.00 14.11 H new ATOM 0 HB3 GLU A 5 17.591 1.967 -15.789 1.00 14.11 H new ATOM 0 HG2 GLU A 5 17.346 0.748 -17.949 1.00 15.26 H new ATOM 0 HG3 GLU A 5 16.083 0.277 -16.830 1.00 15.26 H new ATOM 79 N GLU A 6 16.514 4.020 -13.946 1.00 12.00 N ATOM 80 CA GLU A 6 16.850 4.251 -12.510 1.00 10.87 C ATOM 81 C GLU A 6 15.594 4.106 -11.644 1.00 10.53 C ATOM 82 O GLU A 6 14.516 4.509 -12.035 1.00 11.29 O ATOM 83 CB GLU A 6 17.420 5.659 -12.351 1.00 10.60 C ATOM 84 CG GLU A 6 18.168 5.750 -11.020 1.00 9.21 C ATOM 85 CD GLU A 6 18.233 7.213 -10.575 1.00 8.87 C ATOM 86 OE1 GLU A 6 17.240 7.655 -10.022 1.00 8.31 O ATOM 87 OE2 GLU A 6 19.272 7.805 -10.814 1.00 9.46 O ATOM 0 H GLU A 6 16.803 4.757 -14.589 1.00 12.00 H new ATOM 0 HA GLU A 6 17.586 3.514 -12.189 1.00 10.87 H new ATOM 0 HB2 GLU A 6 18.094 5.887 -13.177 1.00 10.60 H new ATOM 0 HB3 GLU A 6 16.617 6.395 -12.382 1.00 10.60 H new ATOM 0 HG2 GLU A 6 17.662 5.150 -10.264 1.00 9.21 H new ATOM 0 HG3 GLU A 6 19.174 5.345 -11.127 1.00 9.21 H new ATOM 94 N GLN A 7 15.761 3.534 -10.484 1.00 9.51 N ATOM 95 CA GLN A 7 14.588 3.353 -9.579 1.00 9.17 C ATOM 96 C GLN A 7 14.037 4.715 -9.147 1.00 8.76 C ATOM 97 O GLN A 7 14.784 5.642 -8.904 1.00 8.46 O ATOM 98 CB GLN A 7 15.025 2.566 -8.344 1.00 8.26 C ATOM 99 CG GLN A 7 15.039 1.074 -8.678 1.00 9.23 C ATOM 100 CD GLN A 7 15.621 0.876 -10.079 1.00 10.60 C ATOM 101 OE1 GLN A 7 16.858 1.224 -10.307 1.00 11.68 O flip ATOM 102 NE2 GLN A 7 14.955 0.401 -10.979 1.00 10.70 N flip ATOM 0 H GLN A 7 16.650 3.186 -10.124 1.00 9.51 H new ATOM 0 HA GLN A 7 13.807 2.809 -10.110 1.00 9.17 H new ATOM 0 HB2 GLN A 7 16.016 2.889 -8.024 1.00 8.26 H new ATOM 0 HB3 GLN A 7 14.344 2.759 -7.515 1.00 8.26 H new ATOM 0 HG2 GLN A 7 15.634 0.531 -7.944 1.00 9.23 H new ATOM 0 HG3 GLN A 7 14.028 0.669 -8.631 1.00 9.23 H new ATOM 0 HE21 GLN A 7 13.988 0.127 -10.808 1.00 10.70 H new ATOM 0 HE22 GLN A 7 15.364 0.277 -11.905 1.00 10.70 H new ATOM 111 N ASN A 8 12.737 4.808 -9.061 1.00 9.01 N ATOM 112 CA ASN A 8 12.120 6.101 -8.645 1.00 8.86 C ATOM 113 C ASN A 8 11.854 6.098 -7.137 1.00 7.60 C ATOM 114 O ASN A 8 11.811 5.055 -6.513 1.00 6.95 O ATOM 115 CB ASN A 8 10.803 6.290 -9.394 1.00 9.78 C ATOM 116 CG ASN A 8 10.471 5.011 -10.166 1.00 10.71 C ATOM 117 OD1 ASN A 8 11.260 4.634 -11.135 1.00 10.87 O flip ATOM 118 ND2 ASN A 8 9.492 4.345 -9.895 1.00 11.55 N flip ATOM 0 H ASN A 8 12.081 4.053 -9.259 1.00 9.01 H new ATOM 0 HA ASN A 8 12.803 6.917 -8.881 1.00 8.86 H new ATOM 0 HB2 ASN A 8 10.002 6.523 -8.692 1.00 9.78 H new ATOM 0 HB3 ASN A 8 10.880 7.133 -10.081 1.00 9.78 H new ATOM 0 HD21 ASN A 8 8.872 4.634 -9.139 1.00 11.55 H new ATOM 0 HD22 ASN A 8 9.290 3.496 -10.424 1.00 11.55 H new ATOM 125 N ASN A 9 11.681 7.266 -6.582 1.00 7.46 N ATOM 126 CA ASN A 9 11.417 7.348 -5.115 1.00 6.41 C ATOM 127 C ASN A 9 9.918 7.205 -4.839 1.00 6.14 C ATOM 128 O ASN A 9 9.099 7.787 -5.524 1.00 7.13 O ATOM 129 CB ASN A 9 11.904 8.701 -4.597 1.00 6.68 C ATOM 130 CG ASN A 9 11.884 9.718 -5.740 1.00 8.17 C ATOM 131 OD1 ASN A 9 12.910 10.205 -6.170 1.00 8.83 O ATOM 132 ND2 ASN A 9 10.738 10.063 -6.259 1.00 8.83 N ATOM 0 H ASN A 9 11.710 8.159 -7.073 1.00 7.46 H new ATOM 0 HA ASN A 9 11.946 6.541 -4.608 1.00 6.41 H new ATOM 0 HB2 ASN A 9 11.267 9.042 -3.781 1.00 6.68 H new ATOM 0 HB3 ASN A 9 12.913 8.608 -4.196 1.00 6.68 H new ATOM 0 HD21 ASN A 9 10.707 10.739 -7.022 1.00 8.83 H new ATOM 0 HD22 ASN A 9 9.873 9.657 -5.902 1.00 8.83 H new ATOM 139 N ASP A 10 9.589 6.433 -3.839 1.00 4.92 N ATOM 140 CA ASP A 10 8.147 6.240 -3.505 1.00 4.62 C ATOM 141 C ASP A 10 8.008 5.547 -2.144 1.00 3.12 C ATOM 142 O ASP A 10 8.459 4.434 -1.962 1.00 3.16 O ATOM 143 CB ASP A 10 7.493 5.380 -4.584 1.00 5.57 C ATOM 144 CG ASP A 10 6.135 5.978 -4.953 1.00 6.34 C ATOM 145 OD1 ASP A 10 5.411 6.291 -4.022 1.00 5.86 O ATOM 146 OD2 ASP A 10 5.897 6.088 -6.144 1.00 7.58 O ATOM 0 H ASP A 10 10.248 5.932 -3.244 1.00 4.92 H new ATOM 0 HA ASP A 10 7.656 7.212 -3.458 1.00 4.62 H new ATOM 0 HB2 ASP A 10 8.133 5.332 -5.465 1.00 5.57 H new ATOM 0 HB3 ASP A 10 7.368 4.359 -4.225 1.00 5.57 H new ATOM 151 N ALA A 11 7.383 6.223 -1.218 1.00 2.40 N ATOM 152 CA ALA A 11 7.205 5.620 0.136 1.00 1.31 C ATOM 153 C ALA A 11 6.458 4.285 0.029 1.00 0.94 C ATOM 154 O ALA A 11 6.684 3.380 0.806 1.00 1.07 O ATOM 155 CB ALA A 11 6.405 6.583 1.011 1.00 1.59 C ATOM 0 H ALA A 11 6.991 7.157 -1.337 1.00 2.40 H new ATOM 0 HA ALA A 11 8.184 5.440 0.580 1.00 1.31 H new ATOM 0 HB1 ALA A 11 6.271 6.149 2.002 1.00 1.59 H new ATOM 0 HB2 ALA A 11 6.942 7.527 1.098 1.00 1.59 H new ATOM 0 HB3 ALA A 11 5.430 6.761 0.558 1.00 1.59 H new ATOM 161 N LEU A 12 5.581 4.195 -0.933 1.00 0.72 N ATOM 162 CA LEU A 12 4.811 2.928 -1.107 1.00 0.44 C ATOM 163 C LEU A 12 5.603 1.952 -1.984 1.00 0.65 C ATOM 164 O LEU A 12 6.640 2.295 -2.513 1.00 0.97 O ATOM 165 CB LEU A 12 3.470 3.237 -1.772 1.00 0.12 C ATOM 166 CG LEU A 12 2.984 4.621 -1.325 1.00 0.41 C ATOM 167 CD1 LEU A 12 1.573 4.857 -1.866 1.00 0.84 C ATOM 168 CD2 LEU A 12 2.951 4.675 0.204 1.00 1.53 C ATOM 0 H LEU A 12 5.365 4.935 -1.601 1.00 0.72 H new ATOM 0 HA LEU A 12 4.641 2.474 -0.131 1.00 0.44 H new ATOM 0 HB2 LEU A 12 3.575 3.210 -2.857 1.00 0.12 H new ATOM 0 HB3 LEU A 12 2.735 2.478 -1.504 1.00 0.12 H new ATOM 0 HG LEU A 12 3.659 5.388 -1.706 1.00 0.41 H new ATOM 0 HD11 LEU A 12 1.222 5.840 -1.551 1.00 0.84 H new ATOM 0 HD12 LEU A 12 1.588 4.809 -2.955 1.00 0.84 H new ATOM 0 HD13 LEU A 12 0.902 4.091 -1.478 1.00 0.84 H new ATOM 0 HD21 LEU A 12 2.606 5.658 0.526 1.00 1.53 H new ATOM 0 HD22 LEU A 12 2.271 3.910 0.580 1.00 1.53 H new ATOM 0 HD23 LEU A 12 3.952 4.496 0.596 1.00 1.53 H new ATOM 180 N SER A 13 5.098 0.754 -2.120 1.00 0.73 N ATOM 181 CA SER A 13 5.820 -0.246 -2.958 1.00 0.92 C ATOM 182 C SER A 13 5.288 -0.198 -4.418 1.00 0.80 C ATOM 183 O SER A 13 4.122 0.069 -4.633 1.00 0.66 O ATOM 184 CB SER A 13 5.577 -1.640 -2.377 1.00 1.17 C ATOM 185 OG SER A 13 6.844 -2.276 -2.453 1.00 2.35 O ATOM 0 H SER A 13 4.230 0.429 -1.694 1.00 0.73 H new ATOM 0 HA SER A 13 6.886 -0.019 -2.961 1.00 0.92 H new ATOM 0 HB2 SER A 13 5.220 -1.586 -1.349 1.00 1.17 H new ATOM 0 HB3 SER A 13 4.824 -2.183 -2.948 1.00 1.17 H new ATOM 0 HG SER A 13 6.776 -3.185 -2.094 1.00 2.35 H new ATOM 191 N PRO A 14 6.154 -0.455 -5.404 1.00 0.89 N ATOM 192 CA PRO A 14 5.728 -0.442 -6.813 1.00 0.86 C ATOM 193 C PRO A 14 4.644 -1.499 -7.061 1.00 0.84 C ATOM 194 O PRO A 14 3.931 -1.443 -8.044 1.00 0.91 O ATOM 195 CB PRO A 14 6.985 -0.781 -7.622 1.00 1.03 C ATOM 196 CG PRO A 14 8.125 -1.086 -6.606 1.00 1.14 C ATOM 197 CD PRO A 14 7.585 -0.767 -5.202 1.00 1.07 C ATOM 0 HA PRO A 14 5.305 0.523 -7.094 1.00 0.86 H new ATOM 0 HB2 PRO A 14 6.806 -1.641 -8.267 1.00 1.03 H new ATOM 0 HB3 PRO A 14 7.261 0.051 -8.270 1.00 1.03 H new ATOM 0 HG2 PRO A 14 8.429 -2.131 -6.672 1.00 1.14 H new ATOM 0 HG3 PRO A 14 9.006 -0.483 -6.825 1.00 1.14 H new ATOM 0 HD2 PRO A 14 7.713 -1.614 -4.528 1.00 1.07 H new ATOM 0 HD3 PRO A 14 8.114 0.076 -4.758 1.00 1.07 H new ATOM 205 N ALA A 15 4.548 -2.442 -6.164 1.00 0.77 N ATOM 206 CA ALA A 15 3.527 -3.518 -6.334 1.00 0.76 C ATOM 207 C ALA A 15 2.141 -3.025 -5.902 1.00 0.69 C ATOM 208 O ALA A 15 1.143 -3.661 -6.178 1.00 0.73 O ATOM 209 CB ALA A 15 3.927 -4.720 -5.481 1.00 0.82 C ATOM 0 H ALA A 15 5.126 -2.515 -5.327 1.00 0.77 H new ATOM 0 HA ALA A 15 3.481 -3.799 -7.386 1.00 0.76 H new ATOM 0 HB1 ALA A 15 3.187 -5.512 -5.598 1.00 0.82 H new ATOM 0 HB2 ALA A 15 4.903 -5.085 -5.801 1.00 0.82 H new ATOM 0 HB3 ALA A 15 3.977 -4.422 -4.434 1.00 0.82 H new ATOM 215 N ILE A 16 2.104 -1.905 -5.234 1.00 0.61 N ATOM 216 CA ILE A 16 0.785 -1.371 -4.782 1.00 0.53 C ATOM 217 C ILE A 16 -0.181 -1.274 -5.969 1.00 0.48 C ATOM 218 O ILE A 16 -1.377 -1.424 -5.813 1.00 0.51 O ATOM 219 CB ILE A 16 0.981 0.018 -4.171 1.00 0.48 C ATOM 220 CG1 ILE A 16 -0.253 0.366 -3.331 1.00 0.44 C ATOM 221 CG2 ILE A 16 1.140 1.046 -5.293 1.00 0.38 C ATOM 222 CD1 ILE A 16 -0.216 1.851 -2.961 1.00 0.38 C ATOM 0 H ILE A 16 2.917 -1.342 -4.983 1.00 0.61 H new ATOM 0 HA ILE A 16 0.365 -2.046 -4.036 1.00 0.53 H new ATOM 0 HB ILE A 16 1.872 0.028 -3.543 1.00 0.48 H new ATOM 0 HG12 ILE A 16 -1.162 0.142 -3.890 1.00 0.44 H new ATOM 0 HG13 ILE A 16 -0.276 -0.244 -2.428 1.00 0.44 H new ATOM 0 HG21 ILE A 16 1.280 2.037 -4.861 1.00 0.38 H new ATOM 0 HG22 ILE A 16 2.007 0.789 -5.901 1.00 0.38 H new ATOM 0 HG23 ILE A 16 0.246 1.045 -5.917 1.00 0.38 H new ATOM 0 HD11 ILE A 16 -1.093 2.099 -2.364 1.00 0.38 H new ATOM 0 HD12 ILE A 16 0.686 2.060 -2.386 1.00 0.38 H new ATOM 0 HD13 ILE A 16 -0.214 2.453 -3.870 1.00 0.38 H new ATOM 234 N ARG A 17 0.359 -1.027 -7.130 1.00 0.50 N ATOM 235 CA ARG A 17 -0.514 -0.915 -8.335 1.00 0.47 C ATOM 236 C ARG A 17 -1.016 -2.300 -8.757 1.00 0.51 C ATOM 237 O ARG A 17 -2.028 -2.420 -9.421 1.00 0.85 O ATOM 238 CB ARG A 17 0.290 -0.297 -9.478 1.00 0.50 C ATOM 239 CG ARG A 17 1.166 0.829 -8.923 1.00 0.81 C ATOM 240 CD ARG A 17 1.374 1.884 -10.011 1.00 0.94 C ATOM 241 NE ARG A 17 0.145 2.719 -10.116 1.00 0.90 N ATOM 242 CZ ARG A 17 -0.076 3.397 -11.210 1.00 1.52 C ATOM 243 NH1 ARG A 17 -0.707 2.818 -12.194 1.00 2.10 N ATOM 244 NH2 ARG A 17 0.341 4.631 -11.281 1.00 2.16 N ATOM 0 H ARG A 17 1.357 -0.899 -7.298 1.00 0.50 H new ATOM 0 HA ARG A 17 -1.372 -0.286 -8.099 1.00 0.47 H new ATOM 0 HB2 ARG A 17 0.910 -1.056 -9.954 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -0.382 0.092 -10.243 1.00 0.50 H new ATOM 0 HG2 ARG A 17 0.693 1.278 -8.050 1.00 0.81 H new ATOM 0 HG3 ARG A 17 2.127 0.432 -8.596 1.00 0.81 H new ATOM 0 HD2 ARG A 17 2.234 2.509 -9.771 1.00 0.94 H new ATOM 0 HD3 ARG A 17 1.586 1.404 -10.966 1.00 0.94 H new ATOM 0 HE ARG A 17 -0.517 2.761 -9.341 1.00 0.90 H new ATOM 0 HH11 ARG A 17 -1.019 1.851 -12.101 1.00 2.10 H new ATOM 0 HH12 ARG A 17 -0.889 3.332 -13.056 1.00 2.10 H new ATOM 0 HH21 ARG A 17 0.830 5.050 -10.490 1.00 2.16 H new ATOM 0 HH22 ARG A 17 0.178 5.177 -12.127 1.00 2.16 H new ATOM 258 N ARG A 18 -0.300 -3.317 -8.361 1.00 0.28 N ATOM 259 CA ARG A 18 -0.723 -4.700 -8.732 1.00 0.30 C ATOM 260 C ARG A 18 -1.541 -5.326 -7.597 1.00 0.22 C ATOM 261 O ARG A 18 -2.157 -6.359 -7.770 1.00 0.14 O ATOM 262 CB ARG A 18 0.519 -5.547 -8.995 1.00 0.37 C ATOM 263 CG ARG A 18 1.437 -4.804 -9.969 1.00 0.72 C ATOM 264 CD ARG A 18 2.659 -5.674 -10.270 1.00 1.52 C ATOM 265 NE ARG A 18 3.601 -4.903 -11.130 1.00 2.08 N ATOM 266 CZ ARG A 18 4.754 -4.531 -10.643 1.00 3.16 C ATOM 267 NH1 ARG A 18 5.778 -5.332 -10.766 1.00 3.82 N ATOM 268 NH2 ARG A 18 4.845 -3.371 -10.053 1.00 3.90 N ATOM 0 H ARG A 18 0.551 -3.253 -7.802 1.00 0.28 H new ATOM 0 HA ARG A 18 -1.342 -4.659 -9.629 1.00 0.30 H new ATOM 0 HB2 ARG A 18 1.044 -5.744 -8.060 1.00 0.37 H new ATOM 0 HB3 ARG A 18 0.234 -6.513 -9.411 1.00 0.37 H new ATOM 0 HG2 ARG A 18 0.901 -4.576 -10.891 1.00 0.72 H new ATOM 0 HG3 ARG A 18 1.750 -3.853 -9.539 1.00 0.72 H new ATOM 0 HD2 ARG A 18 3.150 -5.968 -9.342 1.00 1.52 H new ATOM 0 HD3 ARG A 18 2.354 -6.591 -10.774 1.00 1.52 H new ATOM 0 HE ARG A 18 3.347 -4.668 -12.090 1.00 2.08 H new ATOM 0 HH11 ARG A 18 5.669 -6.231 -11.236 1.00 3.82 H new ATOM 0 HH12 ARG A 18 6.687 -5.059 -10.392 1.00 3.82 H new ATOM 0 HH21 ARG A 18 4.023 -2.771 -9.978 1.00 3.90 H new ATOM 0 HH22 ARG A 18 5.738 -3.064 -9.667 1.00 3.90 H new ATOM 282 N LEU A 19 -1.527 -4.688 -6.460 1.00 0.33 N ATOM 283 CA LEU A 19 -2.297 -5.233 -5.305 1.00 0.27 C ATOM 284 C LEU A 19 -3.788 -5.309 -5.652 1.00 0.25 C ATOM 285 O LEU A 19 -4.440 -6.300 -5.389 1.00 0.28 O ATOM 286 CB LEU A 19 -2.099 -4.319 -4.097 1.00 0.20 C ATOM 287 CG LEU A 19 -2.622 -5.021 -2.841 1.00 0.17 C ATOM 288 CD1 LEU A 19 -1.461 -5.729 -2.140 1.00 0.32 C ATOM 289 CD2 LEU A 19 -3.221 -3.978 -1.895 1.00 0.21 C ATOM 0 H LEU A 19 -1.021 -3.821 -6.280 1.00 0.33 H new ATOM 0 HA LEU A 19 -1.938 -6.236 -5.074 1.00 0.27 H new ATOM 0 HB2 LEU A 19 -1.043 -4.077 -3.979 1.00 0.20 H new ATOM 0 HB3 LEU A 19 -2.627 -3.378 -4.248 1.00 0.20 H new ATOM 0 HG LEU A 19 -3.385 -5.750 -3.116 1.00 0.17 H new ATOM 0 HD11 LEU A 19 -1.828 -6.231 -1.245 1.00 0.32 H new ATOM 0 HD12 LEU A 19 -1.023 -6.465 -2.814 1.00 0.32 H new ATOM 0 HD13 LEU A 19 -0.704 -4.997 -1.861 1.00 0.32 H new ATOM 0 HD21 LEU A 19 -3.595 -4.472 -0.998 1.00 0.21 H new ATOM 0 HD22 LEU A 19 -2.454 -3.255 -1.617 1.00 0.21 H new ATOM 0 HD23 LEU A 19 -4.041 -3.462 -2.394 1.00 0.21 H new ATOM 301 N LEU A 20 -4.297 -4.257 -6.234 1.00 0.26 N ATOM 302 CA LEU A 20 -5.743 -4.251 -6.603 1.00 0.25 C ATOM 303 C LEU A 20 -6.056 -5.429 -7.532 1.00 0.31 C ATOM 304 O LEU A 20 -7.082 -6.068 -7.406 1.00 0.43 O ATOM 305 CB LEU A 20 -6.072 -2.939 -7.314 1.00 0.38 C ATOM 306 CG LEU A 20 -6.240 -1.832 -6.270 1.00 0.35 C ATOM 307 CD1 LEU A 20 -5.719 -0.515 -6.845 1.00 0.49 C ATOM 308 CD2 LEU A 20 -7.724 -1.682 -5.931 1.00 0.69 C ATOM 0 H LEU A 20 -3.781 -3.409 -6.468 1.00 0.26 H new ATOM 0 HA LEU A 20 -6.345 -4.345 -5.699 1.00 0.25 H new ATOM 0 HB2 LEU A 20 -5.276 -2.680 -8.012 1.00 0.38 H new ATOM 0 HB3 LEU A 20 -6.986 -3.047 -7.898 1.00 0.38 H new ATOM 0 HG LEU A 20 -5.681 -2.087 -5.370 1.00 0.35 H new ATOM 0 HD11 LEU A 20 -5.836 0.277 -6.105 1.00 0.49 H new ATOM 0 HD12 LEU A 20 -4.664 -0.621 -7.099 1.00 0.49 H new ATOM 0 HD13 LEU A 20 -6.284 -0.261 -7.742 1.00 0.49 H new ATOM 0 HD21 LEU A 20 -7.850 -0.895 -5.188 1.00 0.69 H new ATOM 0 HD22 LEU A 20 -8.279 -1.422 -6.833 1.00 0.69 H new ATOM 0 HD23 LEU A 20 -8.103 -2.623 -5.531 1.00 0.69 H new ATOM 320 N ALA A 21 -5.163 -5.691 -8.447 1.00 0.30 N ATOM 321 CA ALA A 21 -5.393 -6.823 -9.393 1.00 0.42 C ATOM 322 C ALA A 21 -5.028 -8.152 -8.725 1.00 0.56 C ATOM 323 O ALA A 21 -5.091 -9.197 -9.342 1.00 0.88 O ATOM 324 CB ALA A 21 -4.525 -6.619 -10.634 1.00 0.40 C ATOM 0 H ALA A 21 -4.292 -5.177 -8.581 1.00 0.30 H new ATOM 0 HA ALA A 21 -6.445 -6.849 -9.675 1.00 0.42 H new ATOM 0 HB1 ALA A 21 -4.687 -7.442 -11.330 1.00 0.40 H new ATOM 0 HB2 ALA A 21 -4.793 -5.678 -11.115 1.00 0.40 H new ATOM 0 HB3 ALA A 21 -3.475 -6.591 -10.343 1.00 0.40 H new ATOM 330 N GLU A 22 -4.654 -8.082 -7.476 1.00 0.52 N ATOM 331 CA GLU A 22 -4.280 -9.332 -6.750 1.00 0.71 C ATOM 332 C GLU A 22 -5.463 -9.837 -5.917 1.00 0.78 C ATOM 333 O GLU A 22 -5.491 -10.983 -5.510 1.00 1.26 O ATOM 334 CB GLU A 22 -3.098 -9.038 -5.829 1.00 0.75 C ATOM 335 CG GLU A 22 -2.500 -10.360 -5.344 1.00 0.94 C ATOM 336 CD GLU A 22 -1.278 -10.070 -4.470 1.00 1.87 C ATOM 337 OE1 GLU A 22 -0.218 -9.920 -5.055 1.00 2.04 O ATOM 338 OE2 GLU A 22 -1.474 -10.018 -3.267 1.00 2.84 O ATOM 0 H GLU A 22 -4.591 -7.223 -6.930 1.00 0.52 H new ATOM 0 HA GLU A 22 -4.008 -10.100 -7.474 1.00 0.71 H new ATOM 0 HB2 GLU A 22 -2.344 -8.456 -6.359 1.00 0.75 H new ATOM 0 HB3 GLU A 22 -3.424 -8.438 -4.979 1.00 0.75 H new ATOM 0 HG2 GLU A 22 -3.242 -10.922 -4.777 1.00 0.94 H new ATOM 0 HG3 GLU A 22 -2.214 -10.978 -6.196 1.00 0.94 H new ATOM 345 N HIS A 23 -6.413 -8.968 -5.681 1.00 0.33 N ATOM 346 CA HIS A 23 -7.609 -9.374 -4.876 1.00 0.36 C ATOM 347 C HIS A 23 -8.896 -8.890 -5.555 1.00 0.40 C ATOM 348 O HIS A 23 -9.985 -9.186 -5.105 1.00 0.46 O ATOM 349 CB HIS A 23 -7.507 -8.756 -3.483 1.00 0.38 C ATOM 350 CG HIS A 23 -6.106 -9.006 -2.918 1.00 0.35 C ATOM 351 ND1 HIS A 23 -5.576 -10.135 -2.783 1.00 0.29 N ATOM 352 CD2 HIS A 23 -5.166 -8.104 -2.455 1.00 0.41 C ATOM 353 CE1 HIS A 23 -4.409 -10.041 -2.286 1.00 0.30 C ATOM 354 NE2 HIS A 23 -4.062 -8.779 -2.045 1.00 0.38 N ATOM 0 H HIS A 23 -6.415 -8.002 -6.007 1.00 0.33 H new ATOM 0 HA HIS A 23 -7.638 -10.461 -4.801 1.00 0.36 H new ATOM 0 HB2 HIS A 23 -7.706 -7.685 -3.532 1.00 0.38 H new ATOM 0 HB3 HIS A 23 -8.260 -9.190 -2.825 1.00 0.38 H new ATOM 0 HD2 HIS A 23 -5.290 -7.032 -2.424 1.00 0.41 H new ATOM 0 HE1 HIS A 23 -3.772 -10.889 -2.083 1.00 0.30 H new ATOM 0 HE2 HIS A 23 -3.193 -8.414 -1.654 1.00 0.38 H new ATOM 362 N ASN A 24 -8.742 -8.159 -6.627 1.00 0.37 N ATOM 363 CA ASN A 24 -9.944 -7.646 -7.355 1.00 0.41 C ATOM 364 C ASN A 24 -10.944 -7.021 -6.368 1.00 0.46 C ATOM 365 O ASN A 24 -11.714 -7.714 -5.734 1.00 0.89 O ATOM 366 CB ASN A 24 -10.608 -8.806 -8.104 1.00 0.30 C ATOM 367 CG ASN A 24 -9.681 -10.024 -8.077 1.00 1.62 C ATOM 368 OD1 ASN A 24 -9.713 -10.822 -7.162 1.00 2.96 O ATOM 369 ND2 ASN A 24 -8.842 -10.203 -9.061 1.00 1.77 N ATOM 0 H ASN A 24 -7.843 -7.895 -7.030 1.00 0.37 H new ATOM 0 HA ASN A 24 -9.634 -6.878 -8.063 1.00 0.41 H new ATOM 0 HB2 ASN A 24 -11.564 -9.052 -7.642 1.00 0.30 H new ATOM 0 HB3 ASN A 24 -10.817 -8.517 -9.134 1.00 0.30 H new ATOM 0 HD21 ASN A 24 -8.218 -11.010 -9.059 1.00 1.77 H new ATOM 0 HD22 ASN A 24 -8.811 -9.536 -9.832 1.00 1.77 H new ATOM 376 N LEU A 25 -10.907 -5.716 -6.265 1.00 0.53 N ATOM 377 CA LEU A 25 -11.847 -5.026 -5.328 1.00 0.54 C ATOM 378 C LEU A 25 -12.342 -3.713 -5.948 1.00 0.72 C ATOM 379 O LEU A 25 -11.710 -3.161 -6.827 1.00 0.97 O ATOM 380 CB LEU A 25 -11.123 -4.727 -4.015 1.00 0.55 C ATOM 381 CG LEU A 25 -11.306 -5.907 -3.054 1.00 0.63 C ATOM 382 CD1 LEU A 25 -10.208 -5.862 -1.990 1.00 0.65 C ATOM 383 CD2 LEU A 25 -12.674 -5.804 -2.369 1.00 0.76 C ATOM 0 H LEU A 25 -10.275 -5.104 -6.782 1.00 0.53 H new ATOM 0 HA LEU A 25 -12.703 -5.674 -5.139 1.00 0.54 H new ATOM 0 HB2 LEU A 25 -10.063 -4.557 -4.202 1.00 0.55 H new ATOM 0 HB3 LEU A 25 -11.518 -3.815 -3.568 1.00 0.55 H new ATOM 0 HG LEU A 25 -11.247 -6.842 -3.610 1.00 0.63 H new ATOM 0 HD11 LEU A 25 -10.333 -6.699 -1.303 1.00 0.65 H new ATOM 0 HD12 LEU A 25 -9.232 -5.929 -2.471 1.00 0.65 H new ATOM 0 HD13 LEU A 25 -10.276 -4.925 -1.437 1.00 0.65 H new ATOM 0 HD21 LEU A 25 -12.803 -6.644 -1.686 1.00 0.76 H new ATOM 0 HD22 LEU A 25 -12.732 -4.870 -1.811 1.00 0.76 H new ATOM 0 HD23 LEU A 25 -13.461 -5.825 -3.123 1.00 0.76 H new ATOM 395 N ASP A 26 -13.464 -3.242 -5.475 1.00 0.82 N ATOM 396 CA ASP A 26 -14.015 -1.968 -6.024 1.00 0.98 C ATOM 397 C ASP A 26 -13.553 -0.780 -5.175 1.00 0.74 C ATOM 398 O ASP A 26 -14.138 -0.478 -4.155 1.00 0.80 O ATOM 399 CB ASP A 26 -15.542 -2.040 -6.012 1.00 1.27 C ATOM 400 CG ASP A 26 -16.022 -2.792 -7.256 1.00 1.24 C ATOM 401 OD1 ASP A 26 -15.387 -3.787 -7.565 1.00 1.25 O ATOM 402 OD2 ASP A 26 -16.995 -2.328 -7.826 1.00 2.17 O ATOM 0 H ASP A 26 -14.019 -3.679 -4.739 1.00 0.82 H new ATOM 0 HA ASP A 26 -13.655 -1.831 -7.044 1.00 0.98 H new ATOM 0 HB2 ASP A 26 -15.887 -2.547 -5.111 1.00 1.27 H new ATOM 0 HB3 ASP A 26 -15.965 -1.036 -5.994 1.00 1.27 H new ATOM 407 N ALA A 27 -12.509 -0.131 -5.616 1.00 0.55 N ATOM 408 CA ALA A 27 -11.996 1.040 -4.847 1.00 0.40 C ATOM 409 C ALA A 27 -13.071 2.128 -4.761 1.00 0.43 C ATOM 410 O ALA A 27 -13.221 2.778 -3.745 1.00 0.36 O ATOM 411 CB ALA A 27 -10.760 1.601 -5.551 1.00 0.45 C ATOM 0 H ALA A 27 -11.993 -0.358 -6.466 1.00 0.55 H new ATOM 0 HA ALA A 27 -11.736 0.719 -3.838 1.00 0.40 H new ATOM 0 HB1 ALA A 27 -10.381 2.457 -4.993 1.00 0.45 H new ATOM 0 HB2 ALA A 27 -9.990 0.831 -5.602 1.00 0.45 H new ATOM 0 HB3 ALA A 27 -11.027 1.915 -6.560 1.00 0.45 H new ATOM 417 N SER A 28 -13.798 2.302 -5.832 1.00 0.64 N ATOM 418 CA SER A 28 -14.869 3.342 -5.828 1.00 0.79 C ATOM 419 C SER A 28 -15.784 3.151 -4.614 1.00 0.83 C ATOM 420 O SER A 28 -16.519 4.042 -4.241 1.00 0.90 O ATOM 421 CB SER A 28 -15.693 3.218 -7.109 1.00 1.03 C ATOM 422 OG SER A 28 -14.743 3.384 -8.151 1.00 1.88 O ATOM 0 H SER A 28 -13.699 1.776 -6.700 1.00 0.64 H new ATOM 0 HA SER A 28 -14.411 4.329 -5.775 1.00 0.79 H new ATOM 0 HB2 SER A 28 -16.188 2.249 -7.172 1.00 1.03 H new ATOM 0 HB3 SER A 28 -16.473 3.978 -7.156 1.00 1.03 H new ATOM 0 HG SER A 28 -15.194 3.316 -9.019 1.00 1.88 H new ATOM 428 N ALA A 29 -15.715 1.988 -4.024 1.00 0.81 N ATOM 429 CA ALA A 29 -16.573 1.721 -2.834 1.00 0.87 C ATOM 430 C ALA A 29 -15.828 2.097 -1.549 1.00 0.82 C ATOM 431 O ALA A 29 -16.331 2.842 -0.732 1.00 1.26 O ATOM 432 CB ALA A 29 -16.932 0.236 -2.800 1.00 0.92 C ATOM 0 H ALA A 29 -15.109 1.219 -4.310 1.00 0.81 H new ATOM 0 HA ALA A 29 -17.480 2.322 -2.903 1.00 0.87 H new ATOM 0 HB1 ALA A 29 -17.560 0.033 -1.932 1.00 0.92 H new ATOM 0 HB2 ALA A 29 -17.473 -0.028 -3.709 1.00 0.92 H new ATOM 0 HB3 ALA A 29 -16.020 -0.357 -2.735 1.00 0.92 H new ATOM 438 N ILE A 30 -14.642 1.573 -1.399 1.00 0.46 N ATOM 439 CA ILE A 30 -13.851 1.893 -0.174 1.00 0.55 C ATOM 440 C ILE A 30 -13.660 3.410 -0.056 1.00 0.55 C ATOM 441 O ILE A 30 -13.707 4.122 -1.039 1.00 0.71 O ATOM 442 CB ILE A 30 -12.477 1.215 -0.264 1.00 0.57 C ATOM 443 CG1 ILE A 30 -12.649 -0.318 -0.431 1.00 0.62 C ATOM 444 CG2 ILE A 30 -11.668 1.531 1.001 1.00 0.63 C ATOM 445 CD1 ILE A 30 -12.888 -1.003 0.929 1.00 0.54 C ATOM 0 H ILE A 30 -14.190 0.944 -2.063 1.00 0.46 H new ATOM 0 HA ILE A 30 -14.386 1.529 0.703 1.00 0.55 H new ATOM 0 HB ILE A 30 -11.940 1.596 -1.133 1.00 0.57 H new ATOM 0 HG12 ILE A 30 -13.488 -0.522 -1.096 1.00 0.62 H new ATOM 0 HG13 ILE A 30 -11.760 -0.737 -0.901 1.00 0.62 H new ATOM 0 HG21 ILE A 30 -10.692 1.050 0.938 1.00 0.63 H new ATOM 0 HG22 ILE A 30 -11.536 2.609 1.089 1.00 0.63 H new ATOM 0 HG23 ILE A 30 -12.201 1.158 1.876 1.00 0.63 H new ATOM 0 HD11 ILE A 30 -13.005 -2.076 0.780 1.00 0.54 H new ATOM 0 HD12 ILE A 30 -12.037 -0.818 1.584 1.00 0.54 H new ATOM 0 HD13 ILE A 30 -13.792 -0.600 1.386 1.00 0.54 H new ATOM 457 N LYS A 31 -13.448 3.869 1.147 1.00 0.46 N ATOM 458 CA LYS A 31 -13.251 5.335 1.347 1.00 0.53 C ATOM 459 C LYS A 31 -11.787 5.710 1.094 1.00 0.20 C ATOM 460 O LYS A 31 -10.927 5.446 1.910 1.00 0.22 O ATOM 461 CB LYS A 31 -13.633 5.701 2.781 1.00 0.79 C ATOM 462 CG LYS A 31 -14.327 7.064 2.783 1.00 1.44 C ATOM 463 CD LYS A 31 -14.626 7.472 4.226 1.00 1.91 C ATOM 464 CE LYS A 31 -15.725 8.538 4.230 1.00 2.55 C ATOM 465 NZ LYS A 31 -15.781 9.223 5.552 1.00 3.61 N ATOM 0 H LYS A 31 -13.403 3.300 1.993 1.00 0.46 H new ATOM 0 HA LYS A 31 -13.881 5.882 0.645 1.00 0.53 H new ATOM 0 HB2 LYS A 31 -14.294 4.942 3.199 1.00 0.79 H new ATOM 0 HB3 LYS A 31 -12.744 5.731 3.411 1.00 0.79 H new ATOM 0 HG2 LYS A 31 -13.692 7.810 2.305 1.00 1.44 H new ATOM 0 HG3 LYS A 31 -15.251 7.016 2.207 1.00 1.44 H new ATOM 0 HD2 LYS A 31 -14.943 6.604 4.804 1.00 1.91 H new ATOM 0 HD3 LYS A 31 -13.725 7.860 4.701 1.00 1.91 H new ATOM 0 HE2 LYS A 31 -15.535 9.268 3.443 1.00 2.55 H new ATOM 0 HE3 LYS A 31 -16.688 8.077 4.011 1.00 2.55 H new ATOM 0 HZ1 LYS A 31 -16.531 9.943 5.538 1.00 3.61 H new ATOM 0 HZ2 LYS A 31 -15.984 8.525 6.296 1.00 3.61 H new ATOM 0 HZ3 LYS A 31 -14.867 9.679 5.746 1.00 3.61 H new ATOM 479 N GLY A 32 -11.537 6.316 -0.034 1.00 0.59 N ATOM 480 CA GLY A 32 -10.137 6.714 -0.356 1.00 0.89 C ATOM 481 C GLY A 32 -9.775 8.019 0.354 1.00 0.85 C ATOM 482 O GLY A 32 -8.960 8.783 -0.124 1.00 1.49 O ATOM 0 H GLY A 32 -12.234 6.551 -0.741 1.00 0.59 H new ATOM 0 HA2 GLY A 32 -9.449 5.925 -0.052 1.00 0.89 H new ATOM 0 HA3 GLY A 32 -10.026 6.836 -1.433 1.00 0.89 H new ATOM 486 N THR A 33 -10.388 8.247 1.483 1.00 1.37 N ATOM 487 CA THR A 33 -10.089 9.498 2.242 1.00 1.24 C ATOM 488 C THR A 33 -8.742 9.368 2.962 1.00 1.19 C ATOM 489 O THR A 33 -8.539 9.938 4.016 1.00 1.41 O ATOM 490 CB THR A 33 -11.201 9.739 3.269 1.00 2.12 C ATOM 491 OG1 THR A 33 -11.638 8.435 3.642 1.00 3.05 O ATOM 492 CG2 THR A 33 -12.419 10.403 2.633 1.00 2.92 C ATOM 0 H THR A 33 -11.077 7.629 1.911 1.00 1.37 H new ATOM 0 HA THR A 33 -10.037 10.338 1.549 1.00 1.24 H new ATOM 0 HB THR A 33 -10.828 10.365 4.080 1.00 2.12 H new ATOM 0 HG1 THR A 33 -11.505 8.308 4.605 1.00 3.05 H new ATOM 0 HG21 THR A 33 -13.186 10.558 3.391 1.00 2.92 H new ATOM 0 HG22 THR A 33 -12.129 11.364 2.208 1.00 2.92 H new ATOM 0 HG23 THR A 33 -12.813 9.762 1.844 1.00 2.92 H new ATOM 500 N GLY A 34 -7.850 8.619 2.376 1.00 1.47 N ATOM 501 CA GLY A 34 -6.515 8.439 3.009 1.00 2.11 C ATOM 502 C GLY A 34 -5.815 9.788 3.177 1.00 2.02 C ATOM 503 O GLY A 34 -6.336 10.814 2.784 1.00 1.44 O ATOM 0 H GLY A 34 -7.986 8.127 1.493 1.00 1.47 H new ATOM 0 HA2 GLY A 34 -6.629 7.958 3.981 1.00 2.11 H new ATOM 0 HA3 GLY A 34 -5.902 7.778 2.396 1.00 2.11 H new ATOM 507 N VAL A 35 -4.647 9.760 3.759 1.00 2.82 N ATOM 508 CA VAL A 35 -3.896 11.034 3.960 1.00 3.03 C ATOM 509 C VAL A 35 -3.758 11.781 2.629 1.00 2.95 C ATOM 510 O VAL A 35 -3.164 11.282 1.694 1.00 3.60 O ATOM 511 CB VAL A 35 -2.509 10.715 4.510 1.00 3.95 C ATOM 512 CG1 VAL A 35 -1.604 11.934 4.329 1.00 4.15 C ATOM 513 CG2 VAL A 35 -2.621 10.389 6.001 1.00 4.04 C ATOM 0 H VAL A 35 -4.183 8.919 4.102 1.00 2.82 H new ATOM 0 HA VAL A 35 -4.439 11.664 4.664 1.00 3.03 H new ATOM 0 HB VAL A 35 -2.089 9.862 3.977 1.00 3.95 H new ATOM 0 HG11 VAL A 35 -0.611 11.712 4.720 1.00 4.15 H new ATOM 0 HG12 VAL A 35 -1.530 12.178 3.269 1.00 4.15 H new ATOM 0 HG13 VAL A 35 -2.025 12.783 4.868 1.00 4.15 H new ATOM 0 HG21 VAL A 35 -1.632 10.160 6.399 1.00 4.04 H new ATOM 0 HG22 VAL A 35 -3.036 11.247 6.531 1.00 4.04 H new ATOM 0 HG23 VAL A 35 -3.275 9.528 6.137 1.00 4.04 H new ATOM 523 N GLY A 36 -4.311 12.961 2.574 1.00 2.59 N ATOM 524 CA GLY A 36 -4.223 13.752 1.316 1.00 2.87 C ATOM 525 C GLY A 36 -5.353 13.360 0.362 1.00 2.38 C ATOM 526 O GLY A 36 -5.324 13.689 -0.808 1.00 2.72 O ATOM 0 H GLY A 36 -4.816 13.408 3.339 1.00 2.59 H new ATOM 0 HA2 GLY A 36 -4.282 14.816 1.543 1.00 2.87 H new ATOM 0 HA3 GLY A 36 -3.259 13.581 0.838 1.00 2.87 H new ATOM 530 N GLY A 37 -6.326 12.663 0.882 1.00 1.77 N ATOM 531 CA GLY A 37 -7.467 12.240 0.022 1.00 1.38 C ATOM 532 C GLY A 37 -6.991 11.257 -1.048 1.00 1.02 C ATOM 533 O GLY A 37 -7.088 11.525 -2.228 1.00 1.56 O ATOM 0 H GLY A 37 -6.381 12.370 1.857 1.00 1.77 H new ATOM 0 HA2 GLY A 37 -8.240 11.775 0.634 1.00 1.38 H new ATOM 0 HA3 GLY A 37 -7.917 13.113 -0.451 1.00 1.38 H new ATOM 537 N ARG A 38 -6.486 10.135 -0.613 1.00 1.02 N ATOM 538 CA ARG A 38 -5.997 9.124 -1.595 1.00 0.85 C ATOM 539 C ARG A 38 -6.263 7.707 -1.077 1.00 0.87 C ATOM 540 O ARG A 38 -6.417 7.493 0.109 1.00 0.98 O ATOM 541 CB ARG A 38 -4.490 9.316 -1.807 1.00 0.92 C ATOM 542 CG ARG A 38 -4.230 10.661 -2.512 1.00 0.30 C ATOM 543 CD ARG A 38 -2.898 10.595 -3.272 1.00 0.66 C ATOM 544 NE ARG A 38 -1.781 10.448 -2.294 1.00 1.23 N ATOM 545 CZ ARG A 38 -1.543 9.281 -1.759 1.00 2.58 C ATOM 546 NH1 ARG A 38 -1.667 8.211 -2.495 1.00 3.36 N ATOM 547 NH2 ARG A 38 -1.187 9.225 -0.503 1.00 3.67 N ATOM 0 H ARG A 38 -6.391 9.876 0.369 1.00 1.02 H new ATOM 0 HA ARG A 38 -6.526 9.258 -2.539 1.00 0.85 H new ATOM 0 HB2 ARG A 38 -3.972 9.291 -0.848 1.00 0.92 H new ATOM 0 HB3 ARG A 38 -4.090 8.498 -2.406 1.00 0.92 H new ATOM 0 HG2 ARG A 38 -5.043 10.884 -3.202 1.00 0.30 H new ATOM 0 HG3 ARG A 38 -4.203 11.468 -1.780 1.00 0.30 H new ATOM 0 HD2 ARG A 38 -2.903 9.754 -3.966 1.00 0.66 H new ATOM 0 HD3 ARG A 38 -2.760 11.498 -3.867 1.00 0.66 H new ATOM 0 HE ARG A 38 -1.207 11.254 -2.045 1.00 1.23 H new ATOM 0 HH11 ARG A 38 -1.946 8.294 -3.473 1.00 3.36 H new ATOM 0 HH12 ARG A 38 -1.485 7.291 -2.093 1.00 3.36 H new ATOM 0 HH21 ARG A 38 -1.099 10.083 0.041 1.00 3.67 H new ATOM 0 HH22 ARG A 38 -0.997 8.323 -0.067 1.00 3.67 H new ATOM 561 N LEU A 39 -6.313 6.769 -1.983 1.00 0.78 N ATOM 562 CA LEU A 39 -6.564 5.358 -1.570 1.00 0.82 C ATOM 563 C LEU A 39 -5.283 4.748 -0.992 1.00 0.95 C ATOM 564 O LEU A 39 -4.595 3.996 -1.654 1.00 1.67 O ATOM 565 CB LEU A 39 -7.007 4.554 -2.795 1.00 0.69 C ATOM 566 CG LEU A 39 -7.494 3.165 -2.353 1.00 0.80 C ATOM 567 CD1 LEU A 39 -8.778 3.298 -1.518 1.00 0.87 C ATOM 568 CD2 LEU A 39 -7.787 2.321 -3.596 1.00 0.73 C ATOM 0 H LEU A 39 -6.192 6.916 -2.985 1.00 0.78 H new ATOM 0 HA LEU A 39 -7.343 5.333 -0.808 1.00 0.82 H new ATOM 0 HB2 LEU A 39 -7.805 5.080 -3.319 1.00 0.69 H new ATOM 0 HB3 LEU A 39 -6.178 4.454 -3.496 1.00 0.69 H new ATOM 0 HG LEU A 39 -6.723 2.688 -1.748 1.00 0.80 H new ATOM 0 HD11 LEU A 39 -9.115 2.309 -1.209 1.00 0.87 H new ATOM 0 HD12 LEU A 39 -8.577 3.904 -0.635 1.00 0.87 H new ATOM 0 HD13 LEU A 39 -9.554 3.775 -2.117 1.00 0.87 H new ATOM 0 HD21 LEU A 39 -8.133 1.333 -3.292 1.00 0.73 H new ATOM 0 HD22 LEU A 39 -8.558 2.808 -4.193 1.00 0.73 H new ATOM 0 HD23 LEU A 39 -6.878 2.220 -4.190 1.00 0.73 H new ATOM 580 N THR A 40 -4.994 5.084 0.234 1.00 0.39 N ATOM 581 CA THR A 40 -3.758 4.544 0.873 1.00 0.49 C ATOM 582 C THR A 40 -3.903 3.043 1.150 1.00 0.55 C ATOM 583 O THR A 40 -4.855 2.418 0.728 1.00 0.58 O ATOM 584 CB THR A 40 -3.515 5.285 2.189 1.00 0.52 C ATOM 585 OG1 THR A 40 -4.719 5.112 2.929 1.00 0.59 O ATOM 586 CG2 THR A 40 -3.389 6.790 1.968 1.00 0.37 C ATOM 0 H THR A 40 -5.554 5.704 0.819 1.00 0.39 H new ATOM 0 HA THR A 40 -2.916 4.690 0.197 1.00 0.49 H new ATOM 0 HB THR A 40 -2.609 4.911 2.666 1.00 0.52 H new ATOM 0 HG1 THR A 40 -4.638 5.563 3.795 1.00 0.59 H new ATOM 0 HG21 THR A 40 -3.217 7.285 2.924 1.00 0.37 H new ATOM 0 HG22 THR A 40 -2.552 6.991 1.300 1.00 0.37 H new ATOM 0 HG23 THR A 40 -4.308 7.171 1.523 1.00 0.37 H new ATOM 594 N ARG A 41 -2.950 2.501 1.860 1.00 0.56 N ATOM 595 CA ARG A 41 -3.003 1.044 2.176 1.00 0.60 C ATOM 596 C ARG A 41 -3.914 0.793 3.382 1.00 0.63 C ATOM 597 O ARG A 41 -4.525 -0.251 3.495 1.00 0.67 O ATOM 598 CB ARG A 41 -1.590 0.557 2.497 1.00 0.85 C ATOM 599 CG ARG A 41 -1.597 -0.968 2.613 1.00 0.94 C ATOM 600 CD ARG A 41 -0.168 -1.456 2.857 1.00 0.88 C ATOM 601 NE ARG A 41 0.421 -1.901 1.562 1.00 0.75 N ATOM 602 CZ ARG A 41 1.063 -3.035 1.507 1.00 1.47 C ATOM 603 NH1 ARG A 41 2.108 -3.205 2.269 1.00 1.38 N ATOM 604 NH2 ARG A 41 0.638 -3.961 0.691 1.00 2.69 N ATOM 0 H ARG A 41 -2.142 3.000 2.233 1.00 0.56 H new ATOM 0 HA ARG A 41 -3.402 0.504 1.318 1.00 0.60 H new ATOM 0 HB2 ARG A 41 -0.898 0.871 1.715 1.00 0.85 H new ATOM 0 HB3 ARG A 41 -1.242 1.003 3.429 1.00 0.85 H new ATOM 0 HG2 ARG A 41 -2.246 -1.280 3.431 1.00 0.94 H new ATOM 0 HG3 ARG A 41 -1.996 -1.413 1.702 1.00 0.94 H new ATOM 0 HD2 ARG A 41 0.434 -0.657 3.289 1.00 0.88 H new ATOM 0 HD3 ARG A 41 -0.168 -2.278 3.573 1.00 0.88 H new ATOM 0 HE ARG A 41 0.323 -1.324 0.727 1.00 0.75 H new ATOM 0 HH11 ARG A 41 2.410 -2.458 2.894 1.00 1.38 H new ATOM 0 HH12 ARG A 41 2.623 -4.085 2.240 1.00 1.38 H new ATOM 0 HH21 ARG A 41 -0.183 -3.791 0.110 1.00 2.69 H new ATOM 0 HH22 ARG A 41 1.127 -4.854 0.634 1.00 2.69 H new ATOM 618 N GLU A 42 -3.989 1.756 4.257 1.00 0.70 N ATOM 619 CA GLU A 42 -4.853 1.583 5.463 1.00 0.83 C ATOM 620 C GLU A 42 -6.334 1.712 5.084 1.00 0.72 C ATOM 621 O GLU A 42 -7.161 2.024 5.920 1.00 0.92 O ATOM 622 CB GLU A 42 -4.496 2.657 6.489 1.00 0.96 C ATOM 623 CG GLU A 42 -3.034 2.485 6.907 1.00 0.37 C ATOM 624 CD GLU A 42 -2.248 3.741 6.525 1.00 1.07 C ATOM 625 OE1 GLU A 42 -2.355 4.116 5.370 1.00 2.37 O ATOM 626 OE2 GLU A 42 -1.584 4.254 7.411 1.00 1.47 O ATOM 0 H GLU A 42 -3.496 2.647 4.193 1.00 0.70 H new ATOM 0 HA GLU A 42 -4.685 0.591 5.883 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -4.651 3.649 6.064 1.00 0.96 H new ATOM 0 HB3 GLU A 42 -5.148 2.577 7.359 1.00 0.96 H new ATOM 0 HG2 GLU A 42 -2.969 2.314 7.982 1.00 0.37 H new ATOM 0 HG3 GLU A 42 -2.604 1.611 6.418 1.00 0.37 H new ATOM 633 N ASP A 43 -6.634 1.472 3.830 1.00 0.67 N ATOM 634 CA ASP A 43 -8.057 1.576 3.373 1.00 0.65 C ATOM 635 C ASP A 43 -8.460 0.324 2.582 1.00 0.68 C ATOM 636 O ASP A 43 -9.561 -0.171 2.722 1.00 0.91 O ATOM 637 CB ASP A 43 -8.202 2.809 2.481 1.00 0.42 C ATOM 638 CG ASP A 43 -8.018 4.072 3.328 1.00 0.37 C ATOM 639 OD1 ASP A 43 -6.924 4.221 3.846 1.00 0.85 O ATOM 640 OD2 ASP A 43 -8.983 4.814 3.408 1.00 1.10 O ATOM 0 H ASP A 43 -5.962 1.211 3.108 1.00 0.67 H new ATOM 0 HA ASP A 43 -8.707 1.662 4.244 1.00 0.65 H new ATOM 0 HB2 ASP A 43 -7.462 2.783 1.681 1.00 0.42 H new ATOM 0 HB3 ASP A 43 -9.183 2.815 2.007 1.00 0.42 H new ATOM 645 N VAL A 44 -7.560 -0.162 1.770 1.00 0.50 N ATOM 646 CA VAL A 44 -7.883 -1.377 0.961 1.00 0.62 C ATOM 647 C VAL A 44 -7.483 -2.650 1.717 1.00 0.81 C ATOM 648 O VAL A 44 -8.187 -3.640 1.683 1.00 0.81 O ATOM 649 CB VAL A 44 -7.122 -1.313 -0.361 1.00 0.62 C ATOM 650 CG1 VAL A 44 -7.836 -2.186 -1.395 1.00 1.07 C ATOM 651 CG2 VAL A 44 -7.097 0.134 -0.856 1.00 0.44 C ATOM 0 H VAL A 44 -6.626 0.223 1.631 1.00 0.50 H new ATOM 0 HA VAL A 44 -8.957 -1.404 0.776 1.00 0.62 H new ATOM 0 HB VAL A 44 -6.103 -1.671 -0.218 1.00 0.62 H new ATOM 0 HG11 VAL A 44 -7.297 -2.144 -2.341 1.00 1.07 H new ATOM 0 HG12 VAL A 44 -7.868 -3.216 -1.041 1.00 1.07 H new ATOM 0 HG13 VAL A 44 -8.853 -1.820 -1.540 1.00 1.07 H new ATOM 0 HG21 VAL A 44 -6.555 0.186 -1.800 1.00 0.44 H new ATOM 0 HG22 VAL A 44 -8.118 0.486 -1.004 1.00 0.44 H new ATOM 0 HG23 VAL A 44 -6.600 0.763 -0.117 1.00 0.44 H new ATOM 661 N GLU A 45 -6.361 -2.601 2.381 1.00 0.99 N ATOM 662 CA GLU A 45 -5.908 -3.806 3.138 1.00 1.20 C ATOM 663 C GLU A 45 -6.799 -4.027 4.366 1.00 0.91 C ATOM 664 O GLU A 45 -7.442 -5.050 4.492 1.00 0.87 O ATOM 665 CB GLU A 45 -4.462 -3.607 3.583 1.00 1.70 C ATOM 666 CG GLU A 45 -3.552 -4.505 2.742 1.00 3.06 C ATOM 667 CD GLU A 45 -2.092 -4.232 3.109 1.00 3.58 C ATOM 668 OE1 GLU A 45 -1.874 -3.918 4.266 1.00 2.78 O ATOM 669 OE2 GLU A 45 -1.277 -4.355 2.210 1.00 4.87 O ATOM 0 H GLU A 45 -5.744 -1.791 2.433 1.00 0.99 H new ATOM 0 HA GLU A 45 -5.978 -4.681 2.492 1.00 1.20 H new ATOM 0 HB2 GLU A 45 -4.173 -2.563 3.466 1.00 1.70 H new ATOM 0 HB3 GLU A 45 -4.357 -3.850 4.640 1.00 1.70 H new ATOM 0 HG2 GLU A 45 -3.793 -5.553 2.918 1.00 3.06 H new ATOM 0 HG3 GLU A 45 -3.714 -4.315 1.681 1.00 3.06 H new ATOM 676 N LYS A 46 -6.816 -3.062 5.246 1.00 1.10 N ATOM 677 CA LYS A 46 -7.660 -3.202 6.470 1.00 1.24 C ATOM 678 C LYS A 46 -9.047 -3.732 6.093 1.00 1.04 C ATOM 679 O LYS A 46 -9.749 -4.286 6.915 1.00 1.50 O ATOM 680 CB LYS A 46 -7.800 -1.834 7.139 1.00 1.52 C ATOM 681 CG LYS A 46 -8.693 -1.966 8.375 1.00 0.70 C ATOM 682 CD LYS A 46 -10.074 -1.383 8.063 1.00 1.19 C ATOM 683 CE LYS A 46 -11.051 -1.787 9.168 1.00 1.98 C ATOM 684 NZ LYS A 46 -10.414 -1.635 10.507 1.00 1.58 N ATOM 0 H LYS A 46 -6.289 -2.192 5.173 1.00 1.10 H new ATOM 0 HA LYS A 46 -7.188 -3.904 7.157 1.00 1.24 H new ATOM 0 HB2 LYS A 46 -6.819 -1.453 7.424 1.00 1.52 H new ATOM 0 HB3 LYS A 46 -8.230 -1.117 6.440 1.00 1.52 H new ATOM 0 HG2 LYS A 46 -8.784 -3.013 8.663 1.00 0.70 H new ATOM 0 HG3 LYS A 46 -8.246 -1.441 9.219 1.00 0.70 H new ATOM 0 HD2 LYS A 46 -10.016 -0.297 7.992 1.00 1.19 H new ATOM 0 HD3 LYS A 46 -10.426 -1.748 7.098 1.00 1.19 H new ATOM 0 HE2 LYS A 46 -11.948 -1.170 9.113 1.00 1.98 H new ATOM 0 HE3 LYS A 46 -11.366 -2.820 9.023 1.00 1.98 H new ATOM 0 HZ1 LYS A 46 -11.152 -1.544 11.234 1.00 1.58 H new ATOM 0 HZ2 LYS A 46 -9.829 -2.470 10.710 1.00 1.58 H new ATOM 0 HZ3 LYS A 46 -9.816 -0.784 10.512 1.00 1.58 H new ATOM 698 N HIS A 47 -9.409 -3.551 4.853 1.00 0.60 N ATOM 699 CA HIS A 47 -10.744 -4.038 4.398 1.00 0.71 C ATOM 700 C HIS A 47 -10.701 -5.552 4.168 1.00 0.70 C ATOM 701 O HIS A 47 -11.645 -6.256 4.468 1.00 1.13 O ATOM 702 CB HIS A 47 -11.112 -3.331 3.097 1.00 0.60 C ATOM 703 CG HIS A 47 -12.558 -3.665 2.724 1.00 0.80 C ATOM 704 ND1 HIS A 47 -13.571 -3.113 3.213 1.00 0.94 N ATOM 705 CD2 HIS A 47 -13.045 -4.583 1.814 1.00 0.93 C ATOM 706 CE1 HIS A 47 -14.639 -3.583 2.711 1.00 1.11 C ATOM 707 NE2 HIS A 47 -14.400 -4.529 1.806 1.00 1.14 N ATOM 0 H HIS A 47 -8.844 -3.091 4.139 1.00 0.60 H new ATOM 0 HA HIS A 47 -11.490 -3.821 5.162 1.00 0.71 H new ATOM 0 HB2 HIS A 47 -10.995 -2.253 3.211 1.00 0.60 H new ATOM 0 HB3 HIS A 47 -10.438 -3.642 2.299 1.00 0.60 H new ATOM 0 HD2 HIS A 47 -12.442 -5.240 1.205 1.00 0.93 H new ATOM 0 HE1 HIS A 47 -15.629 -3.252 2.987 1.00 1.11 H new ATOM 0 HE2 HIS A 47 -15.062 -5.071 1.252 1.00 1.14 H new ATOM 715 N LEU A 48 -9.604 -6.019 3.637 1.00 0.31 N ATOM 716 CA LEU A 48 -9.478 -7.484 3.381 1.00 0.49 C ATOM 717 C LEU A 48 -9.350 -8.243 4.706 1.00 0.47 C ATOM 718 O LEU A 48 -10.043 -9.213 4.939 1.00 0.75 O ATOM 719 CB LEU A 48 -8.237 -7.736 2.528 1.00 0.66 C ATOM 720 CG LEU A 48 -8.583 -7.508 1.057 1.00 1.26 C ATOM 721 CD1 LEU A 48 -7.334 -7.034 0.312 1.00 1.60 C ATOM 722 CD2 LEU A 48 -9.065 -8.825 0.445 1.00 1.54 C ATOM 0 H LEU A 48 -8.796 -5.456 3.371 1.00 0.31 H new ATOM 0 HA LEU A 48 -10.367 -7.836 2.858 1.00 0.49 H new ATOM 0 HB2 LEU A 48 -7.431 -7.069 2.832 1.00 0.66 H new ATOM 0 HB3 LEU A 48 -7.880 -8.755 2.676 1.00 0.66 H new ATOM 0 HG LEU A 48 -9.366 -6.755 0.976 1.00 1.26 H new ATOM 0 HD11 LEU A 48 -7.577 -6.870 -0.738 1.00 1.60 H new ATOM 0 HD12 LEU A 48 -6.980 -6.102 0.752 1.00 1.60 H new ATOM 0 HD13 LEU A 48 -6.554 -7.792 0.390 1.00 1.60 H new ATOM 0 HD21 LEU A 48 -9.314 -8.669 -0.605 1.00 1.54 H new ATOM 0 HD22 LEU A 48 -8.276 -9.573 0.524 1.00 1.54 H new ATOM 0 HD23 LEU A 48 -9.949 -9.172 0.979 1.00 1.54 H new ATOM 734 N ALA A 49 -8.463 -7.782 5.546 1.00 1.56 N ATOM 735 CA ALA A 49 -8.275 -8.462 6.860 1.00 2.05 C ATOM 736 C ALA A 49 -7.692 -7.481 7.883 1.00 3.60 C ATOM 737 O ALA A 49 -7.583 -6.299 7.621 1.00 4.45 O ATOM 738 CB ALA A 49 -7.319 -9.639 6.682 1.00 2.69 C ATOM 0 H ALA A 49 -7.865 -6.972 5.382 1.00 1.56 H new ATOM 0 HA ALA A 49 -9.240 -8.818 7.222 1.00 2.05 H new ATOM 0 HB1 ALA A 49 -7.177 -10.141 7.639 1.00 2.69 H new ATOM 0 HB2 ALA A 49 -7.738 -10.342 5.962 1.00 2.69 H new ATOM 0 HB3 ALA A 49 -6.358 -9.276 6.317 1.00 2.69 H new ATOM 744 N LYS A 50 -7.331 -7.992 9.028 1.00 4.08 N ATOM 745 CA LYS A 50 -6.754 -7.102 10.078 1.00 5.61 C ATOM 746 C LYS A 50 -5.233 -7.012 9.918 1.00 6.67 C ATOM 747 O LYS A 50 -4.546 -8.014 9.905 1.00 6.87 O ATOM 748 CB LYS A 50 -7.088 -7.672 11.456 1.00 5.86 C ATOM 749 CG LYS A 50 -8.549 -7.360 11.787 1.00 5.77 C ATOM 750 CD LYS A 50 -8.938 -8.074 13.085 1.00 5.99 C ATOM 751 CE LYS A 50 -8.048 -7.572 14.227 1.00 7.37 C ATOM 752 NZ LYS A 50 -8.770 -7.660 15.527 1.00 8.18 N ATOM 0 H LYS A 50 -7.409 -8.977 9.282 1.00 4.08 H new ATOM 0 HA LYS A 50 -7.179 -6.104 9.975 1.00 5.61 H new ATOM 0 HB2 LYS A 50 -6.922 -8.749 11.468 1.00 5.86 H new ATOM 0 HB3 LYS A 50 -6.431 -7.240 12.211 1.00 5.86 H new ATOM 0 HG2 LYS A 50 -8.688 -6.284 11.895 1.00 5.77 H new ATOM 0 HG3 LYS A 50 -9.196 -7.685 10.972 1.00 5.77 H new ATOM 0 HD2 LYS A 50 -9.986 -7.886 13.316 1.00 5.99 H new ATOM 0 HD3 LYS A 50 -8.826 -9.152 12.968 1.00 5.99 H new ATOM 0 HE2 LYS A 50 -7.134 -8.164 14.271 1.00 7.37 H new ATOM 0 HE3 LYS A 50 -7.751 -6.540 14.038 1.00 7.37 H new ATOM 0 HZ1 LYS A 50 -8.153 -7.316 16.291 1.00 8.18 H new ATOM 0 HZ2 LYS A 50 -9.630 -7.076 15.487 1.00 8.18 H new ATOM 0 HZ3 LYS A 50 -9.032 -8.649 15.712 1.00 8.18 H new ATOM 766 N ALA A 51 -4.740 -5.810 9.800 1.00 7.61 N ATOM 767 CA ALA A 51 -3.267 -5.634 9.640 1.00 8.87 C ATOM 768 C ALA A 51 -2.888 -4.158 9.812 1.00 9.92 C ATOM 769 O ALA A 51 -2.797 -3.499 8.789 1.00 10.17 O ATOM 770 CB ALA A 51 -2.856 -6.105 8.246 1.00 8.74 C ATOM 771 OXT ALA A 51 -2.711 -3.775 10.957 1.00 10.58 O ATOM 0 H ALA A 51 -5.286 -4.949 9.807 1.00 7.61 H new ATOM 0 HA ALA A 51 -2.751 -6.221 10.399 1.00 8.87 H new ATOM 0 HB1 ALA A 51 -1.780 -5.979 8.122 1.00 8.74 H new ATOM 0 HB2 ALA A 51 -3.115 -7.157 8.127 1.00 8.74 H new ATOM 0 HB3 ALA A 51 -3.379 -5.515 7.494 1.00 8.74 H new TER 777 ALA A 51