USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=7 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+ 179:sc= -0.124 (180deg=-0.136) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0501 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -0.0185 X(o=-0.019,f=-0.11) USER MOD Single : A 9 ASN : amide:sc= -1.75! C(o=-1.7!,f=-7.5!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.371 USER MOD Single : A 23 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-3.3!) USER MOD Single : A 24 ASN : amide:sc= -0.0672 X(o=-0.067,f=-0.55) USER MOD Single : A 28 SER OG : rot 180:sc= 0.196 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.066 X(o=-0.066,f=-0.041) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 22.768 3.498 5.776 1.00 8.95 N ATOM 2 CA TYR A 1 22.527 4.897 5.318 1.00 8.61 C ATOM 3 C TYR A 1 22.959 5.035 3.855 1.00 7.06 C ATOM 4 O TYR A 1 22.794 6.078 3.252 1.00 6.64 O ATOM 5 CB TYR A 1 23.318 5.888 6.172 1.00 9.61 C ATOM 6 CG TYR A 1 22.403 7.044 6.582 1.00 10.53 C ATOM 7 CD1 TYR A 1 22.096 8.046 5.685 1.00 10.16 C ATOM 8 CD2 TYR A 1 21.872 7.099 7.854 1.00 11.89 C ATOM 9 CE1 TYR A 1 21.271 9.088 6.056 1.00 11.22 C ATOM 10 CE2 TYR A 1 21.047 8.142 8.225 1.00 12.89 C ATOM 11 CZ TYR A 1 20.739 9.144 7.329 1.00 12.60 C ATOM 12 OH TYR A 1 19.915 10.187 7.698 1.00 13.76 O ATOM 0 H1 TYR A 1 22.491 3.407 6.774 1.00 8.95 H new ATOM 0 H2 TYR A 1 22.204 2.842 5.199 1.00 8.95 H new ATOM 0 H3 TYR A 1 23.777 3.269 5.675 1.00 8.95 H new ATOM 0 HA TYR A 1 21.464 5.118 5.417 1.00 8.61 H new ATOM 0 HB2 TYR A 1 23.712 5.389 7.057 1.00 9.61 H new ATOM 0 HB3 TYR A 1 24.173 6.267 5.612 1.00 9.61 H new ATOM 0 HD1 TYR A 1 22.504 8.015 4.686 1.00 10.16 H new ATOM 0 HD2 TYR A 1 22.103 6.320 8.565 1.00 11.89 H new ATOM 0 HE1 TYR A 1 21.039 9.867 5.344 1.00 11.22 H new ATOM 0 HE2 TYR A 1 20.640 8.173 9.225 1.00 12.89 H new ATOM 0 HH TYR A 1 19.631 10.066 8.628 1.00 13.76 H new ATOM 24 N ALA A 2 23.502 3.979 3.314 1.00 6.60 N ATOM 25 CA ALA A 2 23.948 4.030 1.890 1.00 5.44 C ATOM 26 C ALA A 2 22.760 3.779 0.956 1.00 4.46 C ATOM 27 O ALA A 2 21.995 2.856 1.155 1.00 4.93 O ATOM 28 CB ALA A 2 25.013 2.958 1.662 1.00 6.01 C ATOM 0 H ALA A 2 23.656 3.090 3.790 1.00 6.60 H new ATOM 0 HA ALA A 2 24.361 5.016 1.676 1.00 5.44 H new ATOM 0 HB1 ALA A 2 25.344 2.989 0.624 1.00 6.01 H new ATOM 0 HB2 ALA A 2 25.862 3.143 2.319 1.00 6.01 H new ATOM 0 HB3 ALA A 2 24.593 1.976 1.880 1.00 6.01 H new ATOM 34 N SER A 3 22.632 4.606 -0.046 1.00 3.52 N ATOM 35 CA SER A 3 21.499 4.428 -1.001 1.00 2.58 C ATOM 36 C SER A 3 21.930 4.826 -2.416 1.00 1.57 C ATOM 37 O SER A 3 21.121 5.248 -3.218 1.00 0.82 O ATOM 38 CB SER A 3 20.331 5.308 -0.559 1.00 3.53 C ATOM 39 OG SER A 3 20.696 6.611 -0.988 1.00 3.87 O ATOM 0 H SER A 3 23.255 5.389 -0.244 1.00 3.52 H new ATOM 0 HA SER A 3 21.196 3.381 -1.007 1.00 2.58 H new ATOM 0 HB2 SER A 3 19.395 4.986 -1.015 1.00 3.53 H new ATOM 0 HB3 SER A 3 20.189 5.269 0.521 1.00 3.53 H new ATOM 0 HG SER A 3 19.991 7.246 -0.742 1.00 3.87 H new ATOM 45 N LEU A 4 23.197 4.682 -2.693 1.00 2.69 N ATOM 46 CA LEU A 4 23.696 5.048 -4.051 1.00 3.69 C ATOM 47 C LEU A 4 23.205 4.020 -5.077 1.00 4.57 C ATOM 48 O LEU A 4 22.689 4.380 -6.118 1.00 5.13 O ATOM 49 CB LEU A 4 25.237 5.059 -4.043 1.00 4.97 C ATOM 50 CG LEU A 4 25.789 6.496 -3.871 1.00 5.36 C ATOM 51 CD1 LEU A 4 25.701 7.250 -5.211 1.00 5.34 C ATOM 52 CD2 LEU A 4 24.998 7.251 -2.786 1.00 5.27 C ATOM 0 H LEU A 4 23.903 4.331 -2.046 1.00 2.69 H new ATOM 0 HA LEU A 4 23.321 6.036 -4.318 1.00 3.69 H new ATOM 0 HB2 LEU A 4 25.603 4.427 -3.234 1.00 4.97 H new ATOM 0 HB3 LEU A 4 25.611 4.633 -4.974 1.00 4.97 H new ATOM 0 HG LEU A 4 26.832 6.438 -3.560 1.00 5.36 H new ATOM 0 HD11 LEU A 4 26.090 8.260 -5.086 1.00 5.34 H new ATOM 0 HD12 LEU A 4 26.290 6.725 -5.963 1.00 5.34 H new ATOM 0 HD13 LEU A 4 24.661 7.299 -5.533 1.00 5.34 H new ATOM 0 HD21 LEU A 4 25.399 8.259 -2.678 1.00 5.27 H new ATOM 0 HD22 LEU A 4 23.948 7.307 -3.074 1.00 5.27 H new ATOM 0 HD23 LEU A 4 25.086 6.722 -1.837 1.00 5.27 H new ATOM 64 N GLU A 5 23.376 2.761 -4.755 1.00 5.17 N ATOM 65 CA GLU A 5 22.930 1.681 -5.691 1.00 6.55 C ATOM 66 C GLU A 5 21.814 0.851 -5.047 1.00 6.47 C ATOM 67 O GLU A 5 21.679 -0.326 -5.318 1.00 7.39 O ATOM 68 CB GLU A 5 24.119 0.773 -6.006 1.00 7.87 C ATOM 69 CG GLU A 5 25.417 1.557 -5.804 1.00 8.36 C ATOM 70 CD GLU A 5 26.558 0.840 -6.529 1.00 9.83 C ATOM 71 OE1 GLU A 5 26.707 -0.342 -6.268 1.00 10.54 O ATOM 72 OE2 GLU A 5 27.216 1.516 -7.302 1.00 10.25 O ATOM 0 H GLU A 5 23.803 2.435 -3.888 1.00 5.17 H new ATOM 0 HA GLU A 5 22.551 2.133 -6.607 1.00 6.55 H new ATOM 0 HB2 GLU A 5 24.105 -0.103 -5.358 1.00 7.87 H new ATOM 0 HB3 GLU A 5 24.054 0.412 -7.032 1.00 7.87 H new ATOM 0 HG2 GLU A 5 25.307 2.571 -6.188 1.00 8.36 H new ATOM 0 HG3 GLU A 5 25.643 1.642 -4.741 1.00 8.36 H new ATOM 79 N GLU A 6 21.038 1.483 -4.208 1.00 5.48 N ATOM 80 CA GLU A 6 19.925 0.747 -3.537 1.00 5.56 C ATOM 81 C GLU A 6 18.692 1.649 -3.411 1.00 5.03 C ATOM 82 O GLU A 6 18.807 2.822 -3.118 1.00 4.41 O ATOM 83 CB GLU A 6 20.381 0.311 -2.143 1.00 5.64 C ATOM 84 CG GLU A 6 21.123 -1.023 -2.250 1.00 6.99 C ATOM 85 CD GLU A 6 20.117 -2.144 -2.522 1.00 7.61 C ATOM 86 OE1 GLU A 6 19.524 -2.585 -1.552 1.00 7.97 O ATOM 87 OE2 GLU A 6 19.999 -2.493 -3.684 1.00 8.07 O ATOM 0 H GLU A 6 21.124 2.468 -3.959 1.00 5.48 H new ATOM 0 HA GLU A 6 19.663 -0.127 -4.134 1.00 5.56 H new ATOM 0 HB2 GLU A 6 21.032 1.069 -1.707 1.00 5.64 H new ATOM 0 HB3 GLU A 6 19.521 0.210 -1.481 1.00 5.64 H new ATOM 0 HG2 GLU A 6 21.860 -0.978 -3.052 1.00 6.99 H new ATOM 0 HG3 GLU A 6 21.667 -1.224 -1.327 1.00 6.99 H new ATOM 94 N GLN A 7 17.539 1.079 -3.635 1.00 5.49 N ATOM 95 CA GLN A 7 16.290 1.888 -3.532 1.00 5.09 C ATOM 96 C GLN A 7 15.919 2.105 -2.061 1.00 4.43 C ATOM 97 O GLN A 7 16.143 1.249 -1.229 1.00 5.05 O ATOM 98 CB GLN A 7 15.156 1.146 -4.239 1.00 6.03 C ATOM 99 CG GLN A 7 14.921 1.781 -5.612 1.00 6.36 C ATOM 100 CD GLN A 7 14.051 0.847 -6.458 1.00 7.73 C ATOM 101 OE1 GLN A 7 12.881 1.094 -6.670 1.00 8.00 O ATOM 102 NE2 GLN A 7 14.584 -0.234 -6.957 1.00 8.76 N ATOM 0 H GLN A 7 17.408 0.098 -3.882 1.00 5.49 H new ATOM 0 HA GLN A 7 16.451 2.859 -4.001 1.00 5.09 H new ATOM 0 HB2 GLN A 7 15.409 0.092 -4.351 1.00 6.03 H new ATOM 0 HB3 GLN A 7 14.245 1.194 -3.642 1.00 6.03 H new ATOM 0 HG2 GLN A 7 14.433 2.749 -5.499 1.00 6.36 H new ATOM 0 HG3 GLN A 7 15.874 1.961 -6.110 1.00 6.36 H new ATOM 0 HE21 GLN A 7 15.566 -0.446 -6.782 1.00 8.76 H new ATOM 0 HE22 GLN A 7 14.019 -0.867 -7.522 1.00 8.76 H new ATOM 111 N ASN A 8 15.358 3.248 -1.774 1.00 3.51 N ATOM 112 CA ASN A 8 14.966 3.538 -0.363 1.00 3.12 C ATOM 113 C ASN A 8 13.687 2.776 -0.002 1.00 3.24 C ATOM 114 O ASN A 8 13.516 1.633 -0.377 1.00 4.21 O ATOM 115 CB ASN A 8 14.726 5.039 -0.209 1.00 2.14 C ATOM 116 CG ASN A 8 15.915 5.804 -0.794 1.00 3.21 C ATOM 117 OD1 ASN A 8 15.887 6.250 -1.923 1.00 3.75 O ATOM 118 ND2 ASN A 8 16.980 5.976 -0.058 1.00 4.02 N ATOM 0 H ASN A 8 15.155 3.987 -2.447 1.00 3.51 H new ATOM 0 HA ASN A 8 15.766 3.219 0.305 1.00 3.12 H new ATOM 0 HB2 ASN A 8 13.807 5.326 -0.720 1.00 2.14 H new ATOM 0 HB3 ASN A 8 14.598 5.292 0.843 1.00 2.14 H new ATOM 0 HD21 ASN A 8 17.782 6.483 -0.432 1.00 4.02 H new ATOM 0 HD22 ASN A 8 17.010 5.604 0.891 1.00 4.02 H new ATOM 125 N ASN A 9 12.816 3.426 0.719 1.00 2.39 N ATOM 126 CA ASN A 9 11.543 2.754 1.114 1.00 2.63 C ATOM 127 C ASN A 9 10.556 3.780 1.681 1.00 1.61 C ATOM 128 O ASN A 9 10.235 3.754 2.853 1.00 2.25 O ATOM 129 CB ASN A 9 11.844 1.695 2.173 1.00 4.01 C ATOM 130 CG ASN A 9 12.671 2.324 3.296 1.00 4.23 C ATOM 131 OD1 ASN A 9 13.227 3.394 3.148 1.00 3.73 O ATOM 132 ND2 ASN A 9 12.777 1.694 4.434 1.00 5.34 N ATOM 0 H ASN A 9 12.927 4.384 1.050 1.00 2.39 H new ATOM 0 HA ASN A 9 11.097 2.285 0.237 1.00 2.63 H new ATOM 0 HB2 ASN A 9 10.915 1.290 2.573 1.00 4.01 H new ATOM 0 HB3 ASN A 9 12.389 0.863 1.727 1.00 4.01 H new ATOM 0 HD21 ASN A 9 13.324 2.100 5.193 1.00 5.34 H new ATOM 0 HD22 ASN A 9 12.313 0.795 4.565 1.00 5.34 H new ATOM 139 N ASP A 10 10.096 4.662 0.836 1.00 0.84 N ATOM 140 CA ASP A 10 9.129 5.696 1.309 1.00 0.96 C ATOM 141 C ASP A 10 7.894 5.025 1.918 1.00 1.04 C ATOM 142 O ASP A 10 7.949 4.493 3.009 1.00 1.94 O ATOM 143 CB ASP A 10 8.710 6.566 0.125 1.00 1.70 C ATOM 144 CG ASP A 10 9.832 7.553 -0.200 1.00 2.95 C ATOM 145 OD1 ASP A 10 10.803 7.097 -0.782 1.00 3.22 O ATOM 146 OD2 ASP A 10 9.657 8.708 0.152 1.00 3.96 O ATOM 0 H ASP A 10 10.344 4.713 -0.152 1.00 0.84 H new ATOM 0 HA ASP A 10 9.604 6.313 2.072 1.00 0.96 H new ATOM 0 HB2 ASP A 10 8.497 5.941 -0.743 1.00 1.70 H new ATOM 0 HB3 ASP A 10 7.793 7.105 0.362 1.00 1.70 H new ATOM 151 N ALA A 11 6.806 5.072 1.197 1.00 0.87 N ATOM 152 CA ALA A 11 5.549 4.442 1.708 1.00 1.55 C ATOM 153 C ALA A 11 4.865 3.652 0.589 1.00 1.03 C ATOM 154 O ALA A 11 4.897 2.437 0.573 1.00 0.98 O ATOM 155 CB ALA A 11 4.609 5.538 2.205 1.00 2.82 C ATOM 0 H ALA A 11 6.731 5.516 0.282 1.00 0.87 H new ATOM 0 HA ALA A 11 5.792 3.761 2.524 1.00 1.55 H new ATOM 0 HB1 ALA A 11 3.690 5.087 2.579 1.00 2.82 H new ATOM 0 HB2 ALA A 11 5.092 6.096 3.007 1.00 2.82 H new ATOM 0 HB3 ALA A 11 4.373 6.215 1.384 1.00 2.82 H new ATOM 161 N LEU A 12 4.257 4.358 -0.326 1.00 1.19 N ATOM 162 CA LEU A 12 3.568 3.662 -1.451 1.00 1.25 C ATOM 163 C LEU A 12 4.584 2.852 -2.263 1.00 1.26 C ATOM 164 O LEU A 12 5.750 3.190 -2.312 1.00 1.45 O ATOM 165 CB LEU A 12 2.904 4.702 -2.356 1.00 1.63 C ATOM 166 CG LEU A 12 1.880 5.505 -1.545 1.00 1.66 C ATOM 167 CD1 LEU A 12 1.728 6.896 -2.165 1.00 2.05 C ATOM 168 CD2 LEU A 12 0.527 4.789 -1.582 1.00 1.98 C ATOM 0 H LEU A 12 4.207 5.377 -0.344 1.00 1.19 H new ATOM 0 HA LEU A 12 2.812 2.987 -1.050 1.00 1.25 H new ATOM 0 HB2 LEU A 12 3.657 5.370 -2.774 1.00 1.63 H new ATOM 0 HB3 LEU A 12 2.413 4.209 -3.195 1.00 1.63 H new ATOM 0 HG LEU A 12 2.219 5.594 -0.513 1.00 1.66 H new ATOM 0 HD11 LEU A 12 1.001 7.472 -1.593 1.00 2.05 H new ATOM 0 HD12 LEU A 12 2.690 7.408 -2.150 1.00 2.05 H new ATOM 0 HD13 LEU A 12 1.385 6.800 -3.195 1.00 2.05 H new ATOM 0 HD21 LEU A 12 -0.202 5.359 -1.006 1.00 1.98 H new ATOM 0 HD22 LEU A 12 0.188 4.705 -2.615 1.00 1.98 H new ATOM 0 HD23 LEU A 12 0.631 3.793 -1.152 1.00 1.98 H new ATOM 180 N SER A 13 4.122 1.799 -2.883 1.00 1.21 N ATOM 181 CA SER A 13 5.057 0.961 -3.692 1.00 1.41 C ATOM 182 C SER A 13 4.319 0.374 -4.914 1.00 1.01 C ATOM 183 O SER A 13 3.104 0.360 -4.956 1.00 0.76 O ATOM 184 CB SER A 13 5.582 -0.174 -2.812 1.00 1.57 C ATOM 185 OG SER A 13 6.978 0.071 -2.725 1.00 2.95 O ATOM 0 H SER A 13 3.152 1.485 -2.866 1.00 1.21 H new ATOM 0 HA SER A 13 5.886 1.573 -4.047 1.00 1.41 H new ATOM 0 HB2 SER A 13 5.114 -0.164 -1.828 1.00 1.57 H new ATOM 0 HB3 SER A 13 5.375 -1.149 -3.254 1.00 1.57 H new ATOM 0 HG SER A 13 7.397 -0.619 -2.170 1.00 2.95 H new ATOM 191 N PRO A 14 5.076 -0.105 -5.894 1.00 1.13 N ATOM 192 CA PRO A 14 4.483 -0.695 -7.102 1.00 1.10 C ATOM 193 C PRO A 14 3.544 -1.848 -6.736 1.00 0.66 C ATOM 194 O PRO A 14 2.553 -2.081 -7.399 1.00 1.04 O ATOM 195 CB PRO A 14 5.668 -1.212 -7.925 1.00 1.29 C ATOM 196 CG PRO A 14 6.969 -0.874 -7.135 1.00 1.40 C ATOM 197 CD PRO A 14 6.551 -0.102 -5.869 1.00 1.47 C ATOM 0 HA PRO A 14 3.888 0.032 -7.655 1.00 1.10 H new ATOM 0 HB2 PRO A 14 5.584 -2.287 -8.084 1.00 1.29 H new ATOM 0 HB3 PRO A 14 5.685 -0.744 -8.909 1.00 1.29 H new ATOM 0 HG2 PRO A 14 7.505 -1.785 -6.870 1.00 1.40 H new ATOM 0 HG3 PRO A 14 7.644 -0.274 -7.745 1.00 1.40 H new ATOM 0 HD2 PRO A 14 6.932 -0.584 -4.968 1.00 1.47 H new ATOM 0 HD3 PRO A 14 6.944 0.914 -5.878 1.00 1.47 H new ATOM 205 N ALA A 15 3.876 -2.546 -5.684 1.00 0.11 N ATOM 206 CA ALA A 15 3.012 -3.684 -5.260 1.00 0.64 C ATOM 207 C ALA A 15 1.572 -3.201 -5.065 1.00 0.48 C ATOM 208 O ALA A 15 0.631 -3.932 -5.299 1.00 0.52 O ATOM 209 CB ALA A 15 3.543 -4.251 -3.945 1.00 1.17 C ATOM 0 H ALA A 15 4.699 -2.380 -5.105 1.00 0.11 H new ATOM 0 HA ALA A 15 3.026 -4.457 -6.029 1.00 0.64 H new ATOM 0 HB1 ALA A 15 2.916 -5.084 -3.628 1.00 1.17 H new ATOM 0 HB2 ALA A 15 4.566 -4.600 -4.086 1.00 1.17 H new ATOM 0 HB3 ALA A 15 3.527 -3.474 -3.181 1.00 1.17 H new ATOM 215 N ILE A 16 1.433 -1.975 -4.641 1.00 0.37 N ATOM 216 CA ILE A 16 0.066 -1.422 -4.422 1.00 0.32 C ATOM 217 C ILE A 16 -0.762 -1.530 -5.708 1.00 0.40 C ATOM 218 O ILE A 16 -1.977 -1.527 -5.669 1.00 0.47 O ATOM 219 CB ILE A 16 0.182 0.048 -4.007 1.00 0.38 C ATOM 220 CG1 ILE A 16 -1.068 0.445 -3.215 1.00 0.42 C ATOM 221 CG2 ILE A 16 0.287 0.924 -5.258 1.00 0.62 C ATOM 222 CD1 ILE A 16 -1.035 1.951 -2.945 1.00 0.66 C ATOM 0 H ILE A 16 2.201 -1.335 -4.438 1.00 0.37 H new ATOM 0 HA ILE A 16 -0.431 -1.991 -3.637 1.00 0.32 H new ATOM 0 HB ILE A 16 1.070 0.186 -3.391 1.00 0.38 H new ATOM 0 HG12 ILE A 16 -1.966 0.183 -3.775 1.00 0.42 H new ATOM 0 HG13 ILE A 16 -1.107 -0.104 -2.274 1.00 0.42 H new ATOM 0 HG21 ILE A 16 0.370 1.970 -4.964 1.00 0.62 H new ATOM 0 HG22 ILE A 16 1.169 0.637 -5.830 1.00 0.62 H new ATOM 0 HG23 ILE A 16 -0.603 0.789 -5.872 1.00 0.62 H new ATOM 0 HD11 ILE A 16 -1.922 2.239 -2.382 1.00 0.66 H new ATOM 0 HD12 ILE A 16 -0.143 2.198 -2.369 1.00 0.66 H new ATOM 0 HD13 ILE A 16 -1.016 2.490 -3.892 1.00 0.66 H new ATOM 234 N ARG A 17 -0.085 -1.624 -6.820 1.00 0.49 N ATOM 235 CA ARG A 17 -0.816 -1.730 -8.117 1.00 0.69 C ATOM 236 C ARG A 17 -1.157 -3.194 -8.417 1.00 0.83 C ATOM 237 O ARG A 17 -2.250 -3.504 -8.849 1.00 1.00 O ATOM 238 CB ARG A 17 0.064 -1.174 -9.235 1.00 0.68 C ATOM 239 CG ARG A 17 0.683 0.148 -8.775 1.00 0.81 C ATOM 240 CD ARG A 17 1.053 0.983 -10.003 1.00 0.73 C ATOM 241 NE ARG A 17 1.606 0.081 -11.053 1.00 2.44 N ATOM 242 CZ ARG A 17 2.799 0.308 -11.529 1.00 3.24 C ATOM 243 NH1 ARG A 17 3.776 0.547 -10.697 1.00 3.69 N ATOM 244 NH2 ARG A 17 2.976 0.289 -12.821 1.00 4.14 N ATOM 0 H ARG A 17 0.933 -1.632 -6.888 1.00 0.49 H new ATOM 0 HA ARG A 17 -1.742 -1.159 -8.053 1.00 0.69 H new ATOM 0 HB2 ARG A 17 0.848 -1.888 -9.487 1.00 0.68 H new ATOM 0 HB3 ARG A 17 -0.528 -1.018 -10.137 1.00 0.68 H new ATOM 0 HG2 ARG A 17 -0.021 0.694 -8.147 1.00 0.81 H new ATOM 0 HG3 ARG A 17 1.569 -0.042 -8.169 1.00 0.81 H new ATOM 0 HD2 ARG A 17 0.175 1.507 -10.381 1.00 0.73 H new ATOM 0 HD3 ARG A 17 1.787 1.743 -9.735 1.00 0.73 H new ATOM 0 HE ARG A 17 1.056 -0.707 -11.396 1.00 2.44 H new ATOM 0 HH11 ARG A 17 3.600 0.554 -9.692 1.00 3.69 H new ATOM 0 HH12 ARG A 17 4.715 0.727 -11.052 1.00 3.69 H new ATOM 0 HH21 ARG A 17 2.189 0.099 -13.441 1.00 4.14 H new ATOM 0 HH22 ARG A 17 3.902 0.464 -13.212 1.00 4.14 H new ATOM 258 N ARG A 18 -0.213 -4.064 -8.182 1.00 0.83 N ATOM 259 CA ARG A 18 -0.466 -5.510 -8.449 1.00 1.04 C ATOM 260 C ARG A 18 -1.255 -6.134 -7.293 1.00 0.99 C ATOM 261 O ARG A 18 -1.428 -7.335 -7.235 1.00 1.30 O ATOM 262 CB ARG A 18 0.872 -6.232 -8.601 1.00 1.13 C ATOM 263 CG ARG A 18 1.829 -5.359 -9.420 1.00 1.41 C ATOM 264 CD ARG A 18 1.140 -4.924 -10.718 1.00 0.61 C ATOM 265 NE ARG A 18 0.463 -6.102 -11.331 1.00 1.30 N ATOM 266 CZ ARG A 18 -0.115 -5.976 -12.494 1.00 2.39 C ATOM 267 NH1 ARG A 18 0.604 -6.109 -13.574 1.00 2.58 N ATOM 268 NH2 ARG A 18 -1.394 -5.721 -12.538 1.00 3.75 N ATOM 0 H ARG A 18 0.714 -3.840 -7.820 1.00 0.83 H new ATOM 0 HA ARG A 18 -1.049 -5.608 -9.365 1.00 1.04 H new ATOM 0 HB2 ARG A 18 1.300 -6.439 -7.620 1.00 1.13 H new ATOM 0 HB3 ARG A 18 0.726 -7.193 -9.094 1.00 1.13 H new ATOM 0 HG2 ARG A 18 2.125 -4.484 -8.842 1.00 1.41 H new ATOM 0 HG3 ARG A 18 2.740 -5.913 -9.647 1.00 1.41 H new ATOM 0 HD2 ARG A 18 0.413 -4.138 -10.513 1.00 0.61 H new ATOM 0 HD3 ARG A 18 1.872 -4.509 -11.411 1.00 0.61 H new ATOM 0 HE ARG A 18 0.452 -6.999 -10.845 1.00 1.30 H new ATOM 0 HH11 ARG A 18 1.602 -6.308 -13.501 1.00 2.58 H new ATOM 0 HH12 ARG A 18 0.169 -6.014 -14.491 1.00 2.58 H new ATOM 0 HH21 ARG A 18 -1.925 -5.623 -11.672 1.00 3.75 H new ATOM 0 HH22 ARG A 18 -1.863 -5.619 -13.438 1.00 3.75 H new ATOM 282 N LEU A 19 -1.719 -5.304 -6.399 1.00 0.65 N ATOM 283 CA LEU A 19 -2.500 -5.834 -5.243 1.00 0.61 C ATOM 284 C LEU A 19 -3.995 -5.836 -5.574 1.00 0.54 C ATOM 285 O LEU A 19 -4.675 -6.826 -5.388 1.00 0.62 O ATOM 286 CB LEU A 19 -2.250 -4.950 -4.019 1.00 0.59 C ATOM 287 CG LEU A 19 -2.525 -5.758 -2.749 1.00 0.66 C ATOM 288 CD1 LEU A 19 -1.216 -6.370 -2.248 1.00 0.58 C ATOM 289 CD2 LEU A 19 -3.089 -4.827 -1.672 1.00 0.70 C ATOM 0 H LEU A 19 -1.594 -4.292 -6.417 1.00 0.65 H new ATOM 0 HA LEU A 19 -2.182 -6.855 -5.034 1.00 0.61 H new ATOM 0 HB2 LEU A 19 -1.221 -4.590 -4.020 1.00 0.59 H new ATOM 0 HB3 LEU A 19 -2.895 -4.072 -4.052 1.00 0.59 H new ATOM 0 HG LEU A 19 -3.243 -6.549 -2.965 1.00 0.66 H new ATOM 0 HD11 LEU A 19 -1.407 -6.947 -1.343 1.00 0.58 H new ATOM 0 HD12 LEU A 19 -0.803 -7.025 -3.015 1.00 0.58 H new ATOM 0 HD13 LEU A 19 -0.503 -5.575 -2.028 1.00 0.58 H new ATOM 0 HD21 LEU A 19 -3.287 -5.398 -0.765 1.00 0.70 H new ATOM 0 HD22 LEU A 19 -2.366 -4.041 -1.456 1.00 0.70 H new ATOM 0 HD23 LEU A 19 -4.017 -4.379 -2.028 1.00 0.70 H new ATOM 301 N LEU A 20 -4.475 -4.723 -6.060 1.00 0.47 N ATOM 302 CA LEU A 20 -5.923 -4.638 -6.409 1.00 0.39 C ATOM 303 C LEU A 20 -6.246 -5.586 -7.570 1.00 0.28 C ATOM 304 O LEU A 20 -7.328 -6.135 -7.642 1.00 0.28 O ATOM 305 CB LEU A 20 -6.254 -3.203 -6.817 1.00 0.40 C ATOM 306 CG LEU A 20 -6.320 -2.327 -5.565 1.00 0.55 C ATOM 307 CD1 LEU A 20 -5.832 -0.918 -5.910 1.00 0.67 C ATOM 308 CD2 LEU A 20 -7.769 -2.253 -5.078 1.00 0.44 C ATOM 0 H LEU A 20 -3.933 -3.876 -6.229 1.00 0.47 H new ATOM 0 HA LEU A 20 -6.518 -4.927 -5.543 1.00 0.39 H new ATOM 0 HB2 LEU A 20 -5.496 -2.823 -7.502 1.00 0.40 H new ATOM 0 HB3 LEU A 20 -7.206 -3.173 -7.347 1.00 0.40 H new ATOM 0 HG LEU A 20 -5.691 -2.753 -4.784 1.00 0.55 H new ATOM 0 HD11 LEU A 20 -5.877 -0.289 -5.021 1.00 0.67 H new ATOM 0 HD12 LEU A 20 -4.804 -0.967 -6.268 1.00 0.67 H new ATOM 0 HD13 LEU A 20 -6.467 -0.493 -6.687 1.00 0.67 H new ATOM 0 HD21 LEU A 20 -7.821 -1.630 -4.185 1.00 0.44 H new ATOM 0 HD22 LEU A 20 -8.394 -1.821 -5.860 1.00 0.44 H new ATOM 0 HD23 LEU A 20 -8.125 -3.256 -4.842 1.00 0.44 H new ATOM 320 N ALA A 21 -5.300 -5.757 -8.452 1.00 0.23 N ATOM 321 CA ALA A 21 -5.538 -6.663 -9.615 1.00 0.20 C ATOM 322 C ALA A 21 -5.598 -8.122 -9.151 1.00 0.24 C ATOM 323 O ALA A 21 -6.313 -8.927 -9.716 1.00 0.45 O ATOM 324 CB ALA A 21 -4.400 -6.494 -10.620 1.00 0.42 C ATOM 0 H ALA A 21 -4.381 -5.315 -8.421 1.00 0.23 H new ATOM 0 HA ALA A 21 -6.489 -6.405 -10.081 1.00 0.20 H new ATOM 0 HB1 ALA A 21 -4.567 -7.153 -11.472 1.00 0.42 H new ATOM 0 HB2 ALA A 21 -4.367 -5.459 -10.962 1.00 0.42 H new ATOM 0 HB3 ALA A 21 -3.453 -6.749 -10.144 1.00 0.42 H new ATOM 330 N GLU A 22 -4.845 -8.434 -8.132 1.00 0.39 N ATOM 331 CA GLU A 22 -4.845 -9.838 -7.623 1.00 0.58 C ATOM 332 C GLU A 22 -6.173 -10.151 -6.924 1.00 0.58 C ATOM 333 O GLU A 22 -6.745 -11.205 -7.117 1.00 0.87 O ATOM 334 CB GLU A 22 -3.695 -10.012 -6.633 1.00 0.80 C ATOM 335 CG GLU A 22 -3.506 -11.502 -6.341 1.00 1.07 C ATOM 336 CD GLU A 22 -2.326 -12.032 -7.160 1.00 1.65 C ATOM 337 OE1 GLU A 22 -1.264 -11.449 -7.020 1.00 1.18 O ATOM 338 OE2 GLU A 22 -2.554 -12.990 -7.880 1.00 2.99 O ATOM 0 H GLU A 22 -4.235 -7.786 -7.633 1.00 0.39 H new ATOM 0 HA GLU A 22 -4.720 -10.522 -8.462 1.00 0.58 H new ATOM 0 HB2 GLU A 22 -2.778 -9.590 -7.044 1.00 0.80 H new ATOM 0 HB3 GLU A 22 -3.908 -9.472 -5.710 1.00 0.80 H new ATOM 0 HG2 GLU A 22 -3.324 -11.656 -5.277 1.00 1.07 H new ATOM 0 HG3 GLU A 22 -4.413 -12.051 -6.591 1.00 1.07 H new ATOM 345 N HIS A 23 -6.635 -9.227 -6.126 1.00 0.32 N ATOM 346 CA HIS A 23 -7.923 -9.458 -5.408 1.00 0.38 C ATOM 347 C HIS A 23 -9.085 -8.842 -6.193 1.00 0.40 C ATOM 348 O HIS A 23 -10.238 -9.093 -5.901 1.00 0.55 O ATOM 349 CB HIS A 23 -7.845 -8.816 -4.024 1.00 0.35 C ATOM 350 CG HIS A 23 -6.468 -9.094 -3.416 1.00 0.36 C ATOM 351 ND1 HIS A 23 -6.029 -10.231 -3.121 1.00 0.45 N ATOM 352 CD2 HIS A 23 -5.459 -8.214 -3.077 1.00 0.34 C ATOM 353 CE1 HIS A 23 -4.857 -10.160 -2.634 1.00 0.45 C ATOM 354 NE2 HIS A 23 -4.411 -8.909 -2.568 1.00 0.38 N ATOM 0 H HIS A 23 -6.183 -8.332 -5.941 1.00 0.32 H new ATOM 0 HA HIS A 23 -8.093 -10.530 -5.312 1.00 0.38 H new ATOM 0 HB2 HIS A 23 -8.012 -7.742 -4.099 1.00 0.35 H new ATOM 0 HB3 HIS A 23 -8.628 -9.217 -3.380 1.00 0.35 H new ATOM 0 HD2 HIS A 23 -5.498 -7.142 -3.198 1.00 0.34 H new ATOM 0 HE1 HIS A 23 -4.288 -11.019 -2.310 1.00 0.45 H new ATOM 0 HE2 HIS A 23 -3.515 -8.563 -2.225 1.00 0.38 H new ATOM 362 N ASN A 24 -8.756 -8.047 -7.174 1.00 0.33 N ATOM 363 CA ASN A 24 -9.830 -7.407 -7.989 1.00 0.51 C ATOM 364 C ASN A 24 -10.858 -6.731 -7.075 1.00 0.46 C ATOM 365 O ASN A 24 -12.050 -6.872 -7.266 1.00 0.96 O ATOM 366 CB ASN A 24 -10.523 -8.477 -8.830 1.00 0.74 C ATOM 367 CG ASN A 24 -9.496 -9.140 -9.750 1.00 1.12 C ATOM 368 OD1 ASN A 24 -8.861 -8.492 -10.560 1.00 2.26 O ATOM 369 ND2 ASN A 24 -9.302 -10.428 -9.659 1.00 1.46 N ATOM 0 H ASN A 24 -7.801 -7.814 -7.445 1.00 0.33 H new ATOM 0 HA ASN A 24 -9.386 -6.652 -8.638 1.00 0.51 H new ATOM 0 HB2 ASN A 24 -10.984 -9.223 -8.183 1.00 0.74 H new ATOM 0 HB3 ASN A 24 -11.323 -8.030 -9.421 1.00 0.74 H new ATOM 0 HD21 ASN A 24 -8.621 -10.885 -10.265 1.00 1.46 H new ATOM 0 HD22 ASN A 24 -9.831 -10.977 -8.982 1.00 1.46 H new ATOM 376 N LEU A 25 -10.374 -6.010 -6.100 1.00 0.23 N ATOM 377 CA LEU A 25 -11.312 -5.319 -5.167 1.00 0.26 C ATOM 378 C LEU A 25 -11.543 -3.876 -5.626 1.00 0.38 C ATOM 379 O LEU A 25 -10.614 -3.104 -5.750 1.00 0.78 O ATOM 380 CB LEU A 25 -10.707 -5.315 -3.760 1.00 0.38 C ATOM 381 CG LEU A 25 -11.037 -6.643 -3.059 1.00 0.43 C ATOM 382 CD1 LEU A 25 -10.213 -6.745 -1.774 1.00 0.64 C ATOM 383 CD2 LEU A 25 -12.532 -6.696 -2.703 1.00 0.51 C ATOM 0 H LEU A 25 -9.382 -5.870 -5.910 1.00 0.23 H new ATOM 0 HA LEU A 25 -12.266 -5.846 -5.160 1.00 0.26 H new ATOM 0 HB2 LEU A 25 -9.627 -5.180 -3.817 1.00 0.38 H new ATOM 0 HB3 LEU A 25 -11.103 -4.479 -3.184 1.00 0.38 H new ATOM 0 HG LEU A 25 -10.799 -7.471 -3.727 1.00 0.43 H new ATOM 0 HD11 LEU A 25 -10.440 -7.684 -1.270 1.00 0.64 H new ATOM 0 HD12 LEU A 25 -9.151 -6.712 -2.019 1.00 0.64 H new ATOM 0 HD13 LEU A 25 -10.459 -5.911 -1.117 1.00 0.64 H new ATOM 0 HD21 LEU A 25 -12.755 -7.641 -2.207 1.00 0.51 H new ATOM 0 HD22 LEU A 25 -12.777 -5.869 -2.036 1.00 0.51 H new ATOM 0 HD23 LEU A 25 -13.126 -6.615 -3.613 1.00 0.51 H new ATOM 395 N ASP A 26 -12.782 -3.544 -5.871 1.00 0.10 N ATOM 396 CA ASP A 26 -13.092 -2.157 -6.324 1.00 0.14 C ATOM 397 C ASP A 26 -12.718 -1.147 -5.233 1.00 0.29 C ATOM 398 O ASP A 26 -13.388 -1.043 -4.225 1.00 0.30 O ATOM 399 CB ASP A 26 -14.587 -2.052 -6.624 1.00 0.22 C ATOM 400 CG ASP A 26 -15.332 -3.159 -5.876 1.00 1.83 C ATOM 401 OD1 ASP A 26 -15.367 -3.064 -4.661 1.00 3.22 O ATOM 402 OD2 ASP A 26 -15.823 -4.040 -6.563 1.00 2.02 O ATOM 0 H ASP A 26 -13.585 -4.166 -5.778 1.00 0.10 H new ATOM 0 HA ASP A 26 -12.515 -1.935 -7.222 1.00 0.14 H new ATOM 0 HB2 ASP A 26 -14.963 -1.075 -6.320 1.00 0.22 H new ATOM 0 HB3 ASP A 26 -14.762 -2.141 -7.696 1.00 0.22 H new ATOM 407 N ALA A 27 -11.655 -0.426 -5.459 1.00 0.42 N ATOM 408 CA ALA A 27 -11.222 0.581 -4.445 1.00 0.59 C ATOM 409 C ALA A 27 -12.207 1.754 -4.411 1.00 0.68 C ATOM 410 O ALA A 27 -12.267 2.490 -3.446 1.00 0.74 O ATOM 411 CB ALA A 27 -9.831 1.093 -4.812 1.00 0.92 C ATOM 0 H ALA A 27 -11.071 -0.488 -6.293 1.00 0.42 H new ATOM 0 HA ALA A 27 -11.198 0.113 -3.461 1.00 0.59 H new ATOM 0 HB1 ALA A 27 -9.508 1.829 -4.076 1.00 0.92 H new ATOM 0 HB2 ALA A 27 -9.128 0.260 -4.824 1.00 0.92 H new ATOM 0 HB3 ALA A 27 -9.862 1.556 -5.798 1.00 0.92 H new ATOM 417 N SER A 28 -12.957 1.903 -5.469 1.00 0.78 N ATOM 418 CA SER A 28 -13.942 3.025 -5.515 1.00 1.04 C ATOM 419 C SER A 28 -15.027 2.820 -4.454 1.00 0.78 C ATOM 420 O SER A 28 -15.713 3.748 -4.077 1.00 0.80 O ATOM 421 CB SER A 28 -14.584 3.068 -6.900 1.00 1.45 C ATOM 422 OG SER A 28 -13.887 2.073 -7.638 1.00 2.02 O ATOM 0 H SER A 28 -12.933 1.305 -6.295 1.00 0.78 H new ATOM 0 HA SER A 28 -13.427 3.965 -5.314 1.00 1.04 H new ATOM 0 HB2 SER A 28 -15.651 2.853 -6.851 1.00 1.45 H new ATOM 0 HB3 SER A 28 -14.478 4.051 -7.358 1.00 1.45 H new ATOM 0 HG SER A 28 -14.243 2.033 -8.550 1.00 2.02 H new ATOM 428 N ALA A 29 -15.159 1.605 -3.995 1.00 0.61 N ATOM 429 CA ALA A 29 -16.195 1.321 -2.959 1.00 0.61 C ATOM 430 C ALA A 29 -15.638 1.605 -1.561 1.00 0.40 C ATOM 431 O ALA A 29 -16.380 1.730 -0.607 1.00 0.57 O ATOM 432 CB ALA A 29 -16.608 -0.146 -3.055 1.00 0.78 C ATOM 0 H ALA A 29 -14.601 0.803 -4.288 1.00 0.61 H new ATOM 0 HA ALA A 29 -17.059 1.963 -3.130 1.00 0.61 H new ATOM 0 HB1 ALA A 29 -17.365 -0.361 -2.301 1.00 0.78 H new ATOM 0 HB2 ALA A 29 -17.016 -0.345 -4.046 1.00 0.78 H new ATOM 0 HB3 ALA A 29 -15.738 -0.781 -2.887 1.00 0.78 H new ATOM 438 N ILE A 30 -14.339 1.701 -1.469 1.00 0.30 N ATOM 439 CA ILE A 30 -13.718 1.975 -0.140 1.00 0.45 C ATOM 440 C ILE A 30 -13.545 3.487 0.056 1.00 0.53 C ATOM 441 O ILE A 30 -12.775 4.122 -0.637 1.00 0.70 O ATOM 442 CB ILE A 30 -12.344 1.291 -0.080 1.00 0.57 C ATOM 443 CG1 ILE A 30 -12.493 -0.200 -0.451 1.00 0.48 C ATOM 444 CG2 ILE A 30 -11.752 1.431 1.336 1.00 0.89 C ATOM 445 CD1 ILE A 30 -13.550 -0.867 0.443 1.00 0.69 C ATOM 0 H ILE A 30 -13.687 1.603 -2.247 1.00 0.30 H new ATOM 0 HA ILE A 30 -14.362 1.587 0.649 1.00 0.45 H new ATOM 0 HB ILE A 30 -11.669 1.769 -0.791 1.00 0.57 H new ATOM 0 HG12 ILE A 30 -12.780 -0.295 -1.498 1.00 0.48 H new ATOM 0 HG13 ILE A 30 -11.536 -0.708 -0.336 1.00 0.48 H new ATOM 0 HG21 ILE A 30 -10.778 0.944 1.373 1.00 0.89 H new ATOM 0 HG22 ILE A 30 -11.639 2.487 1.580 1.00 0.89 H new ATOM 0 HG23 ILE A 30 -12.420 0.961 2.058 1.00 0.89 H new ATOM 0 HD11 ILE A 30 -13.646 -1.918 0.171 1.00 0.69 H new ATOM 0 HD12 ILE A 30 -13.246 -0.788 1.487 1.00 0.69 H new ATOM 0 HD13 ILE A 30 -14.509 -0.368 0.306 1.00 0.69 H new ATOM 457 N LYS A 31 -14.267 4.028 0.998 1.00 1.11 N ATOM 458 CA LYS A 31 -14.158 5.494 1.254 1.00 1.18 C ATOM 459 C LYS A 31 -12.766 5.835 1.797 1.00 1.39 C ATOM 460 O LYS A 31 -12.273 5.186 2.698 1.00 1.62 O ATOM 461 CB LYS A 31 -15.218 5.902 2.275 1.00 1.45 C ATOM 462 CG LYS A 31 -16.422 6.494 1.541 1.00 2.02 C ATOM 463 CD LYS A 31 -17.537 6.774 2.551 1.00 2.31 C ATOM 464 CE LYS A 31 -18.521 5.603 2.551 1.00 2.71 C ATOM 465 NZ LYS A 31 -19.465 5.713 1.403 1.00 3.71 N ATOM 0 H LYS A 31 -14.922 3.525 1.597 1.00 1.11 H new ATOM 0 HA LYS A 31 -14.313 6.035 0.320 1.00 1.18 H new ATOM 0 HB2 LYS A 31 -15.525 5.037 2.864 1.00 1.45 H new ATOM 0 HB3 LYS A 31 -14.807 6.632 2.972 1.00 1.45 H new ATOM 0 HG2 LYS A 31 -16.136 7.414 1.032 1.00 2.02 H new ATOM 0 HG3 LYS A 31 -16.773 5.802 0.776 1.00 2.02 H new ATOM 0 HD2 LYS A 31 -17.116 6.911 3.547 1.00 2.31 H new ATOM 0 HD3 LYS A 31 -18.054 7.699 2.294 1.00 2.31 H new ATOM 0 HE2 LYS A 31 -17.975 4.662 2.491 1.00 2.71 H new ATOM 0 HE3 LYS A 31 -19.078 5.589 3.488 1.00 2.71 H new ATOM 0 HZ1 LYS A 31 -20.126 4.910 1.419 1.00 3.71 H new ATOM 0 HZ2 LYS A 31 -19.999 6.602 1.477 1.00 3.71 H new ATOM 0 HZ3 LYS A 31 -18.930 5.704 0.511 1.00 3.71 H new ATOM 479 N GLY A 32 -12.165 6.849 1.235 1.00 1.39 N ATOM 480 CA GLY A 32 -10.806 7.249 1.702 1.00 1.68 C ATOM 481 C GLY A 32 -10.904 8.412 2.692 1.00 1.96 C ATOM 482 O GLY A 32 -11.260 9.514 2.325 1.00 1.96 O ATOM 0 H GLY A 32 -12.552 7.414 0.479 1.00 1.39 H new ATOM 0 HA2 GLY A 32 -10.313 6.400 2.176 1.00 1.68 H new ATOM 0 HA3 GLY A 32 -10.192 7.539 0.849 1.00 1.68 H new ATOM 486 N THR A 33 -10.584 8.142 3.928 1.00 2.23 N ATOM 487 CA THR A 33 -10.652 9.223 4.955 1.00 2.52 C ATOM 488 C THR A 33 -9.278 9.878 5.125 1.00 2.65 C ATOM 489 O THR A 33 -9.050 10.616 6.063 1.00 3.08 O ATOM 490 CB THR A 33 -11.100 8.619 6.289 1.00 2.64 C ATOM 491 OG1 THR A 33 -9.927 8.018 6.827 1.00 2.52 O ATOM 492 CG2 THR A 33 -12.084 7.471 6.083 1.00 2.48 C ATOM 0 H THR A 33 -10.281 7.230 4.270 1.00 2.23 H new ATOM 0 HA THR A 33 -11.365 9.981 4.632 1.00 2.52 H new ATOM 0 HB THR A 33 -11.564 9.387 6.908 1.00 2.64 H new ATOM 0 HG1 THR A 33 -10.137 7.607 7.692 1.00 2.52 H new ATOM 0 HG21 THR A 33 -12.380 7.067 7.051 1.00 2.48 H new ATOM 0 HG22 THR A 33 -12.966 7.838 5.558 1.00 2.48 H new ATOM 0 HG23 THR A 33 -11.610 6.687 5.492 1.00 2.48 H new ATOM 500 N GLY A 34 -8.390 9.594 4.212 1.00 2.30 N ATOM 501 CA GLY A 34 -7.028 10.191 4.304 1.00 2.39 C ATOM 502 C GLY A 34 -7.118 11.716 4.382 1.00 2.51 C ATOM 503 O GLY A 34 -8.196 12.275 4.427 1.00 2.54 O ATOM 0 H GLY A 34 -8.546 8.980 3.413 1.00 2.30 H new ATOM 0 HA2 GLY A 34 -6.514 9.805 5.184 1.00 2.39 H new ATOM 0 HA3 GLY A 34 -6.437 9.899 3.436 1.00 2.39 H new ATOM 507 N VAL A 35 -5.981 12.358 4.396 1.00 2.58 N ATOM 508 CA VAL A 35 -5.980 13.849 4.472 1.00 2.71 C ATOM 509 C VAL A 35 -7.018 14.429 3.504 1.00 3.02 C ATOM 510 O VAL A 35 -6.949 14.210 2.311 1.00 2.58 O ATOM 511 CB VAL A 35 -4.591 14.368 4.100 1.00 2.47 C ATOM 512 CG1 VAL A 35 -4.540 15.880 4.335 1.00 2.67 C ATOM 513 CG2 VAL A 35 -3.545 13.686 4.984 1.00 2.08 C ATOM 0 H VAL A 35 -5.060 11.920 4.359 1.00 2.58 H new ATOM 0 HA VAL A 35 -6.233 14.157 5.487 1.00 2.71 H new ATOM 0 HB VAL A 35 -4.385 14.150 3.052 1.00 2.47 H new ATOM 0 HG11 VAL A 35 -3.551 16.256 4.071 1.00 2.67 H new ATOM 0 HG12 VAL A 35 -5.292 16.370 3.716 1.00 2.67 H new ATOM 0 HG13 VAL A 35 -4.741 16.092 5.385 1.00 2.67 H new ATOM 0 HG21 VAL A 35 -2.553 14.053 4.722 1.00 2.08 H new ATOM 0 HG22 VAL A 35 -3.751 13.911 6.031 1.00 2.08 H new ATOM 0 HG23 VAL A 35 -3.585 12.608 4.830 1.00 2.08 H new ATOM 523 N GLY A 36 -7.957 15.157 4.043 1.00 3.96 N ATOM 524 CA GLY A 36 -9.006 15.760 3.173 1.00 4.31 C ATOM 525 C GLY A 36 -10.057 14.712 2.806 1.00 4.55 C ATOM 526 O GLY A 36 -11.243 14.962 2.894 1.00 5.67 O ATOM 0 H GLY A 36 -8.043 15.359 5.039 1.00 3.96 H new ATOM 0 HA2 GLY A 36 -9.480 16.595 3.689 1.00 4.31 H new ATOM 0 HA3 GLY A 36 -8.551 16.161 2.268 1.00 4.31 H new ATOM 530 N GLY A 37 -9.597 13.558 2.405 1.00 3.50 N ATOM 531 CA GLY A 37 -10.553 12.479 2.025 1.00 3.65 C ATOM 532 C GLY A 37 -10.017 11.688 0.830 1.00 3.46 C ATOM 533 O GLY A 37 -10.766 11.289 -0.040 1.00 3.64 O ATOM 0 H GLY A 37 -8.609 13.317 2.324 1.00 3.50 H new ATOM 0 HA2 GLY A 37 -10.711 11.810 2.871 1.00 3.65 H new ATOM 0 HA3 GLY A 37 -11.522 12.913 1.777 1.00 3.65 H new ATOM 537 N ARG A 38 -8.729 11.476 0.813 1.00 3.14 N ATOM 538 CA ARG A 38 -8.128 10.712 -0.321 1.00 3.02 C ATOM 539 C ARG A 38 -7.983 9.234 0.056 1.00 2.60 C ATOM 540 O ARG A 38 -8.079 8.872 1.212 1.00 2.58 O ATOM 541 CB ARG A 38 -6.751 11.293 -0.642 1.00 2.91 C ATOM 542 CG ARG A 38 -6.891 12.789 -0.935 1.00 3.99 C ATOM 543 CD ARG A 38 -6.492 13.056 -2.388 1.00 4.01 C ATOM 544 NE ARG A 38 -7.440 12.342 -3.289 1.00 5.10 N ATOM 545 CZ ARG A 38 -8.714 12.615 -3.223 1.00 6.74 C ATOM 546 NH1 ARG A 38 -9.084 13.843 -2.980 1.00 7.57 N ATOM 547 NH2 ARG A 38 -9.577 11.652 -3.403 1.00 7.70 N ATOM 0 H ARG A 38 -8.072 11.794 1.526 1.00 3.14 H new ATOM 0 HA ARG A 38 -8.778 10.792 -1.192 1.00 3.02 H new ATOM 0 HB2 ARG A 38 -6.073 11.137 0.197 1.00 2.91 H new ATOM 0 HB3 ARG A 38 -6.318 10.781 -1.502 1.00 2.91 H new ATOM 0 HG2 ARG A 38 -7.918 13.111 -0.762 1.00 3.99 H new ATOM 0 HG3 ARG A 38 -6.258 13.365 -0.260 1.00 3.99 H new ATOM 0 HD2 ARG A 38 -6.511 14.126 -2.593 1.00 4.01 H new ATOM 0 HD3 ARG A 38 -5.472 12.715 -2.567 1.00 4.01 H new ATOM 0 HE ARG A 38 -7.096 11.646 -3.951 1.00 5.10 H new ATOM 0 HH11 ARG A 38 -8.381 14.570 -2.845 1.00 7.57 H new ATOM 0 HH12 ARG A 38 -10.076 14.075 -2.925 1.00 7.57 H new ATOM 0 HH21 ARG A 38 -9.251 10.704 -3.592 1.00 7.70 H new ATOM 0 HH22 ARG A 38 -10.577 11.848 -3.355 1.00 7.70 H new ATOM 561 N LEU A 39 -7.755 8.410 -0.933 1.00 2.31 N ATOM 562 CA LEU A 39 -7.600 6.951 -0.655 1.00 1.90 C ATOM 563 C LEU A 39 -6.114 6.584 -0.570 1.00 1.67 C ATOM 564 O LEU A 39 -5.289 7.167 -1.244 1.00 2.15 O ATOM 565 CB LEU A 39 -8.258 6.155 -1.781 1.00 1.99 C ATOM 566 CG LEU A 39 -8.483 4.716 -1.313 1.00 1.93 C ATOM 567 CD1 LEU A 39 -9.908 4.578 -0.773 1.00 2.02 C ATOM 568 CD2 LEU A 39 -8.300 3.767 -2.499 1.00 1.45 C ATOM 0 H LEU A 39 -7.670 8.680 -1.913 1.00 2.31 H new ATOM 0 HA LEU A 39 -8.077 6.714 0.296 1.00 1.90 H new ATOM 0 HB2 LEU A 39 -9.207 6.612 -2.059 1.00 1.99 H new ATOM 0 HB3 LEU A 39 -7.626 6.167 -2.669 1.00 1.99 H new ATOM 0 HG LEU A 39 -7.767 4.468 -0.529 1.00 1.93 H new ATOM 0 HD11 LEU A 39 -10.073 3.554 -0.438 1.00 2.02 H new ATOM 0 HD12 LEU A 39 -10.047 5.261 0.065 1.00 2.02 H new ATOM 0 HD13 LEU A 39 -10.621 4.821 -1.561 1.00 2.02 H new ATOM 0 HD21 LEU A 39 -8.459 2.740 -2.171 1.00 1.45 H new ATOM 0 HD22 LEU A 39 -9.021 4.015 -3.278 1.00 1.45 H new ATOM 0 HD23 LEU A 39 -7.289 3.869 -2.894 1.00 1.45 H new ATOM 580 N THR A 40 -5.807 5.620 0.254 1.00 1.08 N ATOM 581 CA THR A 40 -4.382 5.200 0.394 1.00 0.92 C ATOM 582 C THR A 40 -4.301 3.703 0.709 1.00 0.77 C ATOM 583 O THR A 40 -5.146 2.933 0.298 1.00 0.66 O ATOM 584 CB THR A 40 -3.732 5.996 1.529 1.00 0.75 C ATOM 585 OG1 THR A 40 -4.206 5.380 2.722 1.00 0.44 O ATOM 586 CG2 THR A 40 -4.254 7.429 1.580 1.00 0.93 C ATOM 0 H THR A 40 -6.474 5.108 0.832 1.00 1.08 H new ATOM 0 HA THR A 40 -3.858 5.393 -0.542 1.00 0.92 H new ATOM 0 HB THR A 40 -2.650 6.009 1.401 1.00 0.75 H new ATOM 0 HG1 THR A 40 -3.827 5.839 3.500 1.00 0.44 H new ATOM 0 HG21 THR A 40 -3.770 7.964 2.398 1.00 0.93 H new ATOM 0 HG22 THR A 40 -4.033 7.930 0.638 1.00 0.93 H new ATOM 0 HG23 THR A 40 -5.332 7.418 1.741 1.00 0.93 H new ATOM 594 N ARG A 41 -3.282 3.324 1.434 1.00 0.81 N ATOM 595 CA ARG A 41 -3.126 1.882 1.788 1.00 0.73 C ATOM 596 C ARG A 41 -3.647 1.625 3.206 1.00 0.72 C ATOM 597 O ARG A 41 -3.975 0.509 3.557 1.00 0.69 O ATOM 598 CB ARG A 41 -1.645 1.510 1.716 1.00 0.81 C ATOM 599 CG ARG A 41 -1.505 -0.011 1.790 1.00 0.74 C ATOM 600 CD ARG A 41 -0.020 -0.379 1.781 1.00 0.91 C ATOM 601 NE ARG A 41 0.120 -1.818 1.418 1.00 0.82 N ATOM 602 CZ ARG A 41 0.963 -2.564 2.077 1.00 0.74 C ATOM 603 NH1 ARG A 41 2.195 -2.156 2.213 1.00 1.29 N ATOM 604 NH2 ARG A 41 0.546 -3.696 2.577 1.00 1.27 N ATOM 0 H ARG A 41 -2.556 3.944 1.794 1.00 0.81 H new ATOM 0 HA ARG A 41 -3.699 1.275 1.087 1.00 0.73 H new ATOM 0 HB2 ARG A 41 -1.209 1.883 0.789 1.00 0.81 H new ATOM 0 HB3 ARG A 41 -1.100 1.978 2.536 1.00 0.81 H new ATOM 0 HG2 ARG A 41 -1.980 -0.389 2.695 1.00 0.74 H new ATOM 0 HG3 ARG A 41 -2.013 -0.477 0.945 1.00 0.74 H new ATOM 0 HD2 ARG A 41 0.518 0.244 1.066 1.00 0.91 H new ATOM 0 HD3 ARG A 41 0.420 -0.193 2.761 1.00 0.91 H new ATOM 0 HE ARG A 41 -0.438 -2.215 0.662 1.00 0.82 H new ATOM 0 HH11 ARG A 41 2.485 -1.266 1.807 1.00 1.29 H new ATOM 0 HH12 ARG A 41 2.868 -2.727 2.725 1.00 1.29 H new ATOM 0 HH21 ARG A 41 -0.424 -3.983 2.449 1.00 1.27 H new ATOM 0 HH22 ARG A 41 1.191 -4.293 3.095 1.00 1.27 H new ATOM 618 N GLU A 42 -3.715 2.666 3.989 1.00 0.80 N ATOM 619 CA GLU A 42 -4.210 2.501 5.389 1.00 0.82 C ATOM 620 C GLU A 42 -5.730 2.306 5.395 1.00 0.69 C ATOM 621 O GLU A 42 -6.362 2.395 6.429 1.00 0.89 O ATOM 622 CB GLU A 42 -3.854 3.749 6.194 1.00 0.94 C ATOM 623 CG GLU A 42 -3.404 3.329 7.595 1.00 1.29 C ATOM 624 CD GLU A 42 -3.279 4.572 8.479 1.00 2.14 C ATOM 625 OE1 GLU A 42 -3.229 5.645 7.901 1.00 2.69 O ATOM 626 OE2 GLU A 42 -3.244 4.377 9.684 1.00 2.67 O ATOM 0 H GLU A 42 -3.453 3.616 3.726 1.00 0.80 H new ATOM 0 HA GLU A 42 -3.741 1.623 5.834 1.00 0.82 H new ATOM 0 HB2 GLU A 42 -3.060 4.305 5.695 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -4.716 4.413 6.259 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.122 2.632 8.027 1.00 1.29 H new ATOM 0 HG3 GLU A 42 -2.448 2.809 7.542 1.00 1.29 H new ATOM 633 N ASP A 43 -6.281 2.045 4.234 1.00 0.46 N ATOM 634 CA ASP A 43 -7.762 1.838 4.143 1.00 0.55 C ATOM 635 C ASP A 43 -8.071 0.552 3.370 1.00 0.31 C ATOM 636 O ASP A 43 -8.863 -0.261 3.804 1.00 0.54 O ATOM 637 CB ASP A 43 -8.386 3.030 3.416 1.00 0.89 C ATOM 638 CG ASP A 43 -8.386 4.246 4.345 1.00 1.18 C ATOM 639 OD1 ASP A 43 -8.692 4.039 5.508 1.00 2.12 O ATOM 640 OD2 ASP A 43 -8.080 5.313 3.838 1.00 0.87 O ATOM 0 H ASP A 43 -5.775 1.967 3.352 1.00 0.46 H new ATOM 0 HA ASP A 43 -8.176 1.753 5.148 1.00 0.55 H new ATOM 0 HB2 ASP A 43 -7.825 3.251 2.508 1.00 0.89 H new ATOM 0 HB3 ASP A 43 -9.405 2.791 3.110 1.00 0.89 H new ATOM 645 N VAL A 44 -7.436 0.395 2.241 1.00 0.36 N ATOM 646 CA VAL A 44 -7.683 -0.831 1.425 1.00 0.42 C ATOM 647 C VAL A 44 -6.993 -2.042 2.064 1.00 0.65 C ATOM 648 O VAL A 44 -7.205 -3.166 1.656 1.00 1.12 O ATOM 649 CB VAL A 44 -7.128 -0.614 0.019 1.00 0.82 C ATOM 650 CG1 VAL A 44 -7.324 -1.890 -0.802 1.00 0.82 C ATOM 651 CG2 VAL A 44 -7.884 0.536 -0.649 1.00 0.97 C ATOM 0 H VAL A 44 -6.763 1.054 1.850 1.00 0.36 H new ATOM 0 HA VAL A 44 -8.755 -1.021 1.378 1.00 0.42 H new ATOM 0 HB VAL A 44 -6.067 -0.372 0.076 1.00 0.82 H new ATOM 0 HG11 VAL A 44 -6.929 -1.740 -1.807 1.00 0.82 H new ATOM 0 HG12 VAL A 44 -6.796 -2.715 -0.324 1.00 0.82 H new ATOM 0 HG13 VAL A 44 -8.387 -2.125 -0.861 1.00 0.82 H new ATOM 0 HG21 VAL A 44 -7.491 0.695 -1.653 1.00 0.97 H new ATOM 0 HG22 VAL A 44 -8.944 0.289 -0.709 1.00 0.97 H new ATOM 0 HG23 VAL A 44 -7.756 1.445 -0.062 1.00 0.97 H new ATOM 661 N GLU A 45 -6.182 -1.785 3.053 1.00 0.51 N ATOM 662 CA GLU A 45 -5.469 -2.910 3.727 1.00 0.79 C ATOM 663 C GLU A 45 -6.404 -3.619 4.714 1.00 0.83 C ATOM 664 O GLU A 45 -6.207 -4.773 5.038 1.00 1.22 O ATOM 665 CB GLU A 45 -4.261 -2.356 4.481 1.00 0.89 C ATOM 666 CG GLU A 45 -3.604 -3.485 5.276 1.00 0.70 C ATOM 667 CD GLU A 45 -4.101 -3.441 6.722 1.00 0.67 C ATOM 668 OE1 GLU A 45 -3.538 -2.652 7.464 1.00 1.39 O ATOM 669 OE2 GLU A 45 -5.015 -4.198 7.004 1.00 1.94 O ATOM 0 H GLU A 45 -5.982 -0.855 3.422 1.00 0.51 H new ATOM 0 HA GLU A 45 -5.143 -3.628 2.974 1.00 0.79 H new ATOM 0 HB2 GLU A 45 -3.546 -1.925 3.780 1.00 0.89 H new ATOM 0 HB3 GLU A 45 -4.572 -1.555 5.152 1.00 0.89 H new ATOM 0 HG2 GLU A 45 -3.843 -4.449 4.826 1.00 0.70 H new ATOM 0 HG3 GLU A 45 -2.519 -3.381 5.249 1.00 0.70 H new ATOM 676 N LYS A 46 -7.403 -2.914 5.168 1.00 0.65 N ATOM 677 CA LYS A 46 -8.357 -3.534 6.135 1.00 0.87 C ATOM 678 C LYS A 46 -9.504 -4.220 5.384 1.00 0.94 C ATOM 679 O LYS A 46 -10.346 -4.859 5.984 1.00 1.31 O ATOM 680 CB LYS A 46 -8.921 -2.447 7.047 1.00 0.85 C ATOM 681 CG LYS A 46 -8.117 -2.418 8.349 1.00 1.40 C ATOM 682 CD LYS A 46 -8.637 -1.285 9.236 1.00 1.08 C ATOM 683 CE LYS A 46 -7.781 -1.208 10.502 1.00 2.15 C ATOM 684 NZ LYS A 46 -8.465 -0.393 11.545 1.00 1.88 N ATOM 0 H LYS A 46 -7.601 -1.946 4.916 1.00 0.65 H new ATOM 0 HA LYS A 46 -7.831 -4.281 6.729 1.00 0.87 H new ATOM 0 HB2 LYS A 46 -8.870 -1.477 6.552 1.00 0.85 H new ATOM 0 HB3 LYS A 46 -9.972 -2.642 7.259 1.00 0.85 H new ATOM 0 HG2 LYS A 46 -8.207 -3.373 8.867 1.00 1.40 H new ATOM 0 HG3 LYS A 46 -7.059 -2.271 8.134 1.00 1.40 H new ATOM 0 HD2 LYS A 46 -8.598 -0.338 8.698 1.00 1.08 H new ATOM 0 HD3 LYS A 46 -9.680 -1.461 9.498 1.00 1.08 H new ATOM 0 HE2 LYS A 46 -7.592 -2.212 10.882 1.00 2.15 H new ATOM 0 HE3 LYS A 46 -6.812 -0.769 10.267 1.00 2.15 H new ATOM 0 HZ1 LYS A 46 -7.871 -0.351 12.398 1.00 1.88 H new ATOM 0 HZ2 LYS A 46 -8.623 0.570 11.185 1.00 1.88 H new ATOM 0 HZ3 LYS A 46 -9.379 -0.828 11.782 1.00 1.88 H new ATOM 698 N HIS A 47 -9.512 -4.072 4.086 1.00 0.72 N ATOM 699 CA HIS A 47 -10.596 -4.708 3.280 1.00 0.74 C ATOM 700 C HIS A 47 -10.110 -6.038 2.694 1.00 1.03 C ATOM 701 O HIS A 47 -10.820 -6.689 1.953 1.00 1.61 O ATOM 702 CB HIS A 47 -10.993 -3.766 2.145 1.00 0.47 C ATOM 703 CG HIS A 47 -12.456 -4.015 1.769 1.00 0.23 C ATOM 704 ND1 HIS A 47 -13.444 -3.653 2.450 1.00 0.27 N ATOM 705 CD2 HIS A 47 -12.988 -4.655 0.666 1.00 0.35 C ATOM 706 CE1 HIS A 47 -14.537 -3.994 1.897 1.00 0.35 C ATOM 707 NE2 HIS A 47 -14.342 -4.641 0.751 1.00 0.30 N ATOM 0 H HIS A 47 -8.822 -3.543 3.552 1.00 0.72 H new ATOM 0 HA HIS A 47 -11.455 -4.900 3.923 1.00 0.74 H new ATOM 0 HB2 HIS A 47 -10.856 -2.729 2.453 1.00 0.47 H new ATOM 0 HB3 HIS A 47 -10.350 -3.929 1.280 1.00 0.47 H new ATOM 0 HD2 HIS A 47 -12.416 -5.097 -0.137 1.00 0.35 H new ATOM 0 HE1 HIS A 47 -15.512 -3.783 2.310 1.00 0.35 H new ATOM 0 HE2 HIS A 47 -15.031 -5.026 0.105 1.00 0.30 H new ATOM 715 N LEU A 48 -8.906 -6.411 3.041 1.00 0.71 N ATOM 716 CA LEU A 48 -8.354 -7.695 2.513 1.00 0.95 C ATOM 717 C LEU A 48 -8.519 -8.811 3.550 1.00 1.16 C ATOM 718 O LEU A 48 -8.018 -9.904 3.375 1.00 2.19 O ATOM 719 CB LEU A 48 -6.870 -7.507 2.200 1.00 0.99 C ATOM 720 CG LEU A 48 -6.718 -7.036 0.752 1.00 1.00 C ATOM 721 CD1 LEU A 48 -5.390 -6.291 0.602 1.00 1.05 C ATOM 722 CD2 LEU A 48 -6.723 -8.251 -0.178 1.00 1.15 C ATOM 0 H LEU A 48 -8.286 -5.889 3.660 1.00 0.71 H new ATOM 0 HA LEU A 48 -8.895 -7.973 1.609 1.00 0.95 H new ATOM 0 HB2 LEU A 48 -6.432 -6.777 2.881 1.00 0.99 H new ATOM 0 HB3 LEU A 48 -6.333 -8.444 2.349 1.00 0.99 H new ATOM 0 HG LEU A 48 -7.543 -6.373 0.493 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -5.277 -5.953 -0.428 1.00 1.05 H new ATOM 0 HD12 LEU A 48 -5.379 -5.430 1.270 1.00 1.05 H new ATOM 0 HD13 LEU A 48 -4.567 -6.959 0.857 1.00 1.05 H new ATOM 0 HD21 LEU A 48 -6.615 -7.919 -1.211 1.00 1.15 H new ATOM 0 HD22 LEU A 48 -5.894 -8.910 0.080 1.00 1.15 H new ATOM 0 HD23 LEU A 48 -7.664 -8.790 -0.067 1.00 1.15 H new ATOM 734 N ALA A 49 -9.222 -8.511 4.609 1.00 0.31 N ATOM 735 CA ALA A 49 -9.430 -9.545 5.665 1.00 0.37 C ATOM 736 C ALA A 49 -10.682 -9.220 6.486 1.00 1.15 C ATOM 737 O ALA A 49 -10.636 -8.429 7.406 1.00 2.19 O ATOM 738 CB ALA A 49 -8.211 -9.571 6.586 1.00 1.80 C ATOM 0 H ALA A 49 -9.657 -7.606 4.788 1.00 0.31 H new ATOM 0 HA ALA A 49 -9.561 -10.518 5.192 1.00 0.37 H new ATOM 0 HB1 ALA A 49 -8.356 -10.324 7.360 1.00 1.80 H new ATOM 0 HB2 ALA A 49 -7.321 -9.814 6.005 1.00 1.80 H new ATOM 0 HB3 ALA A 49 -8.085 -8.593 7.050 1.00 1.80 H new ATOM 744 N LYS A 50 -11.776 -9.839 6.133 1.00 2.13 N ATOM 745 CA LYS A 50 -13.041 -9.578 6.881 1.00 3.42 C ATOM 746 C LYS A 50 -13.250 -10.650 7.956 1.00 3.37 C ATOM 747 O LYS A 50 -13.619 -10.347 9.074 1.00 3.94 O ATOM 748 CB LYS A 50 -14.213 -9.604 5.903 1.00 4.94 C ATOM 749 CG LYS A 50 -14.911 -8.242 5.919 1.00 6.21 C ATOM 750 CD LYS A 50 -16.027 -8.237 4.872 1.00 7.78 C ATOM 751 CE LYS A 50 -15.560 -7.453 3.644 1.00 8.59 C ATOM 752 NZ LYS A 50 -16.608 -7.468 2.586 1.00 9.92 N ATOM 0 H LYS A 50 -11.850 -10.508 5.367 1.00 2.13 H new ATOM 0 HA LYS A 50 -12.979 -8.602 7.363 1.00 3.42 H new ATOM 0 HB2 LYS A 50 -13.859 -9.833 4.898 1.00 4.94 H new ATOM 0 HB3 LYS A 50 -14.916 -10.390 6.180 1.00 4.94 H new ATOM 0 HG2 LYS A 50 -15.323 -8.043 6.908 1.00 6.21 H new ATOM 0 HG3 LYS A 50 -14.193 -7.449 5.707 1.00 6.21 H new ATOM 0 HD2 LYS A 50 -16.283 -9.259 4.591 1.00 7.78 H new ATOM 0 HD3 LYS A 50 -16.928 -7.785 5.286 1.00 7.78 H new ATOM 0 HE2 LYS A 50 -15.334 -6.425 3.926 1.00 8.59 H new ATOM 0 HE3 LYS A 50 -14.638 -7.887 3.257 1.00 8.59 H new ATOM 0 HZ1 LYS A 50 -16.275 -6.931 1.760 1.00 9.92 H new ATOM 0 HZ2 LYS A 50 -16.804 -8.450 2.305 1.00 9.92 H new ATOM 0 HZ3 LYS A 50 -17.478 -7.033 2.953 1.00 9.92 H new ATOM 766 N ALA A 51 -13.008 -11.880 7.595 1.00 3.31 N ATOM 767 CA ALA A 51 -13.188 -12.983 8.585 1.00 3.84 C ATOM 768 C ALA A 51 -12.145 -12.867 9.701 1.00 3.51 C ATOM 769 O ALA A 51 -11.013 -13.228 9.424 1.00 2.98 O ATOM 770 CB ALA A 51 -13.026 -14.324 7.873 1.00 4.40 C ATOM 771 OXT ALA A 51 -12.540 -12.424 10.767 1.00 4.34 O ATOM 0 H ALA A 51 -12.697 -12.169 6.668 1.00 3.31 H new ATOM 0 HA ALA A 51 -14.183 -12.913 9.025 1.00 3.84 H new ATOM 0 HB1 ALA A 51 -13.156 -15.135 8.590 1.00 4.40 H new ATOM 0 HB2 ALA A 51 -13.776 -14.411 7.087 1.00 4.40 H new ATOM 0 HB3 ALA A 51 -12.030 -14.385 7.434 1.00 4.40 H new TER 777 ALA A 51