USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 23 TYR OH : rot 180:sc= 1.05 USER MOD Set 1.2: A 44 LYS NZ :NH3+ -172:sc= 1.26 (180deg=0) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0628 (180deg=-0.387) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.263 (180deg=-0.342!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -102:sc= 0.576 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0122 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A 27 SER OG : rot -97:sc= 1.31 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 134:sc= -0.452 (180deg=-3.71!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= -0.0409 (180deg=-0.193) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.266 USER MOD Single : A 43 ASN : amide:sc= -0.314 K(o=-0.31,f=-1.7) USER MOD Single : A 46 GLN : amide:sc= -0.465 K(o=-0.47,f=-4.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.157 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.026 9.683 -1.054 1.00 63.53 N ATOM 2 CA MET A 1 -13.296 9.762 -2.352 1.00 34.34 C ATOM 3 C MET A 1 -12.202 8.684 -2.443 1.00 71.24 C ATOM 4 O MET A 1 -11.131 8.822 -1.848 1.00 42.33 O ATOM 5 CB MET A 1 -12.671 11.156 -2.532 1.00 11.05 C ATOM 6 CG MET A 1 -13.683 12.291 -2.467 1.00 0.13 C ATOM 7 SD MET A 1 -14.490 12.413 -0.856 1.00 4.40 S ATOM 8 CE MET A 1 -13.114 12.895 0.188 1.00 42.33 C ATOM 0 H1 MET A 1 -14.316 10.638 -0.760 1.00 63.53 H new ATOM 0 H2 MET A 1 -14.869 9.084 -1.166 1.00 63.53 H new ATOM 0 H3 MET A 1 -13.403 9.272 -0.330 1.00 63.53 H new ATOM 0 HA MET A 1 -14.018 9.587 -3.150 1.00 34.34 H new ATOM 0 HB2 MET A 1 -11.916 11.309 -1.761 1.00 11.05 H new ATOM 0 HB3 MET A 1 -12.157 11.193 -3.493 1.00 11.05 H new ATOM 0 HG2 MET A 1 -13.182 13.233 -2.690 1.00 0.13 H new ATOM 0 HG3 MET A 1 -14.440 12.143 -3.238 1.00 0.13 H new ATOM 0 HE1 MET A 1 -13.493 13.297 1.127 1.00 42.33 H new ATOM 0 HE2 MET A 1 -12.490 12.025 0.392 1.00 42.33 H new ATOM 0 HE3 MET A 1 -12.521 13.656 -0.320 1.00 42.33 H new ATOM 20 N ALA A 2 -12.473 7.614 -3.190 1.00 60.43 N ATOM 21 CA ALA A 2 -11.532 6.491 -3.319 1.00 52.30 C ATOM 22 C ALA A 2 -11.202 6.199 -4.789 1.00 20.30 C ATOM 23 O ALA A 2 -12.090 6.153 -5.646 1.00 75.03 O ATOM 24 CB ALA A 2 -12.102 5.244 -2.654 1.00 52.24 C ATOM 0 H ALA A 2 -13.338 7.497 -3.718 1.00 60.43 H new ATOM 0 HA ALA A 2 -10.607 6.775 -2.817 1.00 52.30 H new ATOM 0 HB1 ALA A 2 -11.395 4.421 -2.757 1.00 52.24 H new ATOM 0 HB2 ALA A 2 -12.276 5.443 -1.596 1.00 52.24 H new ATOM 0 HB3 ALA A 2 -13.044 4.975 -3.132 1.00 52.24 H new ATOM 30 N SER A 3 -9.921 5.995 -5.072 1.00 72.35 N ATOM 31 CA SER A 3 -9.460 5.695 -6.434 1.00 14.44 C ATOM 32 C SER A 3 -8.649 4.396 -6.452 1.00 5.35 C ATOM 33 O SER A 3 -8.012 4.046 -5.458 1.00 24.44 O ATOM 34 CB SER A 3 -8.590 6.845 -6.973 1.00 33.41 C ATOM 35 OG SER A 3 -9.277 8.086 -6.917 1.00 3.22 O ATOM 0 H SER A 3 -9.175 6.031 -4.377 1.00 72.35 H new ATOM 0 HA SER A 3 -10.338 5.579 -7.070 1.00 14.44 H new ATOM 0 HB2 SER A 3 -7.670 6.910 -6.392 1.00 33.41 H new ATOM 0 HB3 SER A 3 -8.302 6.633 -8.003 1.00 33.41 H new ATOM 0 HG SER A 3 -8.698 8.796 -7.264 1.00 3.22 H new ATOM 41 N PRO A 4 -8.671 3.649 -7.573 1.00 11.32 N ATOM 42 CA PRO A 4 -7.818 2.461 -7.728 1.00 30.00 C ATOM 43 C PRO A 4 -6.322 2.834 -7.711 1.00 42.32 C ATOM 44 O PRO A 4 -5.837 3.538 -8.601 1.00 4.23 O ATOM 45 CB PRO A 4 -8.236 1.895 -9.098 1.00 42.01 C ATOM 46 CG PRO A 4 -8.861 3.046 -9.817 1.00 5.03 C ATOM 47 CD PRO A 4 -9.521 3.882 -8.754 1.00 64.24 C ATOM 0 HA PRO A 4 -7.943 1.745 -6.916 1.00 30.00 H new ATOM 0 HB2 PRO A 4 -7.376 1.508 -9.644 1.00 42.01 H new ATOM 0 HB3 PRO A 4 -8.940 1.070 -8.986 1.00 42.01 H new ATOM 0 HG2 PRO A 4 -8.111 3.623 -10.359 1.00 5.03 H new ATOM 0 HG3 PRO A 4 -9.589 2.700 -10.551 1.00 5.03 H new ATOM 0 HD2 PRO A 4 -9.549 4.936 -9.029 1.00 64.24 H new ATOM 0 HD3 PRO A 4 -10.551 3.571 -8.578 1.00 64.24 H new ATOM 55 N THR A 5 -5.600 2.365 -6.698 1.00 11.30 N ATOM 56 CA THR A 5 -4.186 2.728 -6.512 1.00 14.35 C ATOM 57 C THR A 5 -3.294 1.483 -6.420 1.00 25.41 C ATOM 58 O THR A 5 -3.563 0.573 -5.638 1.00 61.15 O ATOM 59 CB THR A 5 -3.991 3.586 -5.230 1.00 74.22 C ATOM 60 OG1 THR A 5 -4.828 4.753 -5.285 1.00 72.20 O ATOM 61 CG2 THR A 5 -2.534 4.015 -5.056 1.00 72.22 C ATOM 0 H THR A 5 -5.966 1.731 -5.988 1.00 11.30 H new ATOM 0 HA THR A 5 -3.893 3.311 -7.385 1.00 14.35 H new ATOM 0 HB THR A 5 -4.271 2.969 -4.376 1.00 74.22 H new ATOM 0 HG1 THR A 5 -4.287 5.532 -5.531 1.00 72.20 H new ATOM 0 HG21 THR A 5 -2.436 4.613 -4.150 1.00 72.22 H new ATOM 0 HG22 THR A 5 -1.901 3.131 -4.977 1.00 72.22 H new ATOM 0 HG23 THR A 5 -2.224 4.608 -5.917 1.00 72.22 H new ATOM 69 N VAL A 6 -2.234 1.444 -7.227 1.00 70.05 N ATOM 70 CA VAL A 6 -1.297 0.316 -7.214 1.00 71.21 C ATOM 71 C VAL A 6 -0.017 0.652 -6.423 1.00 54.11 C ATOM 72 O VAL A 6 0.710 1.596 -6.745 1.00 54.55 O ATOM 73 CB VAL A 6 -0.929 -0.138 -8.656 1.00 73.12 C ATOM 74 CG1 VAL A 6 -0.277 0.993 -9.450 1.00 10.44 C ATOM 75 CG2 VAL A 6 -0.022 -1.368 -8.624 1.00 41.35 C ATOM 0 H VAL A 6 -2.001 2.177 -7.897 1.00 70.05 H new ATOM 0 HA VAL A 6 -1.804 -0.508 -6.713 1.00 71.21 H new ATOM 0 HB VAL A 6 -1.856 -0.407 -9.162 1.00 73.12 H new ATOM 0 HG11 VAL A 6 -0.033 0.640 -10.452 1.00 10.44 H new ATOM 0 HG12 VAL A 6 -0.967 1.834 -9.519 1.00 10.44 H new ATOM 0 HG13 VAL A 6 0.635 1.313 -8.946 1.00 10.44 H new ATOM 0 HG21 VAL A 6 0.222 -1.667 -9.643 1.00 41.35 H new ATOM 0 HG22 VAL A 6 0.896 -1.129 -8.086 1.00 41.35 H new ATOM 0 HG23 VAL A 6 -0.536 -2.186 -8.119 1.00 41.35 H new ATOM 85 N ILE A 7 0.232 -0.111 -5.367 1.00 70.33 N ATOM 86 CA ILE A 7 1.447 0.036 -4.566 1.00 25.24 C ATOM 87 C ILE A 7 2.472 -1.049 -4.931 1.00 72.33 C ATOM 88 O ILE A 7 2.266 -2.232 -4.653 1.00 52.33 O ATOM 89 CB ILE A 7 1.133 -0.043 -3.051 1.00 61.22 C ATOM 90 CG1 ILE A 7 0.117 1.045 -2.654 1.00 63.14 C ATOM 91 CG2 ILE A 7 2.416 0.090 -2.227 1.00 42.31 C ATOM 92 CD1 ILE A 7 -0.271 1.019 -1.189 1.00 55.02 C ATOM 0 H ILE A 7 -0.396 -0.846 -5.040 1.00 70.33 H new ATOM 0 HA ILE A 7 1.866 1.018 -4.787 1.00 25.24 H new ATOM 0 HB ILE A 7 0.693 -1.018 -2.841 1.00 61.22 H new ATOM 0 HG12 ILE A 7 0.536 2.023 -2.891 1.00 63.14 H new ATOM 0 HG13 ILE A 7 -0.782 0.927 -3.260 1.00 63.14 H new ATOM 0 HG21 ILE A 7 2.174 0.032 -1.166 1.00 42.31 H new ATOM 0 HG22 ILE A 7 3.101 -0.717 -2.488 1.00 42.31 H new ATOM 0 HG23 ILE A 7 2.887 1.049 -2.440 1.00 42.31 H new ATOM 0 HD11 ILE A 7 -0.989 1.814 -0.989 1.00 55.02 H new ATOM 0 HD12 ILE A 7 -0.721 0.056 -0.949 1.00 55.02 H new ATOM 0 HD13 ILE A 7 0.617 1.168 -0.575 1.00 55.02 H new ATOM 104 N THR A 8 3.566 -0.643 -5.566 1.00 22.04 N ATOM 105 CA THR A 8 4.625 -1.581 -5.956 1.00 45.41 C ATOM 106 C THR A 8 5.664 -1.729 -4.840 1.00 23.12 C ATOM 107 O THR A 8 6.170 -0.734 -4.325 1.00 10.04 O ATOM 108 CB THR A 8 5.346 -1.121 -7.247 1.00 15.04 C ATOM 109 OG1 THR A 8 4.399 -0.947 -8.312 1.00 54.32 O ATOM 110 CG2 THR A 8 6.407 -2.129 -7.679 1.00 25.41 C ATOM 0 H THR A 8 3.747 0.327 -5.824 1.00 22.04 H new ATOM 0 HA THR A 8 4.142 -2.541 -6.140 1.00 45.41 H new ATOM 0 HB THR A 8 5.834 -0.171 -7.030 1.00 15.04 H new ATOM 0 HG1 THR A 8 4.867 -0.655 -9.122 1.00 54.32 H new ATOM 0 HG21 THR A 8 6.895 -1.777 -8.588 1.00 25.41 H new ATOM 0 HG22 THR A 8 7.149 -2.238 -6.888 1.00 25.41 H new ATOM 0 HG23 THR A 8 5.936 -3.093 -7.870 1.00 25.41 H new ATOM 118 N LEU A 9 5.977 -2.965 -4.468 1.00 74.31 N ATOM 119 CA LEU A 9 6.983 -3.232 -3.434 1.00 2.40 C ATOM 120 C LEU A 9 8.380 -3.374 -4.056 1.00 0.41 C ATOM 121 O LEU A 9 8.516 -3.606 -5.260 1.00 41.34 O ATOM 122 CB LEU A 9 6.614 -4.498 -2.648 1.00 42.01 C ATOM 123 CG LEU A 9 5.169 -4.539 -2.126 1.00 12.31 C ATOM 124 CD1 LEU A 9 4.913 -5.825 -1.345 1.00 21.31 C ATOM 125 CD2 LEU A 9 4.868 -3.309 -1.270 1.00 64.12 C ATOM 0 H LEU A 9 5.551 -3.802 -4.865 1.00 74.31 H new ATOM 0 HA LEU A 9 7.002 -2.386 -2.746 1.00 2.40 H new ATOM 0 HB2 LEU A 9 6.778 -5.365 -3.287 1.00 42.01 H new ATOM 0 HB3 LEU A 9 7.293 -4.593 -1.801 1.00 42.01 H new ATOM 0 HG LEU A 9 4.495 -4.526 -2.983 1.00 12.31 H new ATOM 0 HD11 LEU A 9 3.884 -5.833 -0.985 1.00 21.31 H new ATOM 0 HD12 LEU A 9 5.077 -6.684 -1.995 1.00 21.31 H new ATOM 0 HD13 LEU A 9 5.595 -5.877 -0.496 1.00 21.31 H new ATOM 0 HD21 LEU A 9 3.840 -3.358 -0.911 1.00 64.12 H new ATOM 0 HD22 LEU A 9 5.549 -3.282 -0.419 1.00 64.12 H new ATOM 0 HD23 LEU A 9 5.000 -2.408 -1.869 1.00 64.12 H new ATOM 137 N ASN A 10 9.417 -3.247 -3.227 1.00 74.13 N ATOM 138 CA ASN A 10 10.807 -3.215 -3.708 1.00 11.02 C ATOM 139 C ASN A 10 11.229 -4.522 -4.408 1.00 61.34 C ATOM 140 O ASN A 10 12.135 -4.519 -5.242 1.00 12.45 O ATOM 141 CB ASN A 10 11.752 -2.901 -2.541 1.00 40.00 C ATOM 142 CG ASN A 10 13.188 -2.701 -2.991 1.00 21.14 C ATOM 143 OD1 ASN A 10 13.573 -1.616 -3.413 1.00 52.25 O ATOM 144 ND2 ASN A 10 13.993 -3.739 -2.902 1.00 15.44 N ATOM 0 H ASN A 10 9.324 -3.164 -2.215 1.00 74.13 H new ATOM 0 HA ASN A 10 10.872 -2.427 -4.459 1.00 11.02 H new ATOM 0 HB2 ASN A 10 11.407 -2.002 -2.030 1.00 40.00 H new ATOM 0 HB3 ASN A 10 11.712 -3.715 -1.817 1.00 40.00 H new ATOM 0 HD21 ASN A 10 14.968 -3.654 -3.189 1.00 15.44 H new ATOM 0 HD22 ASN A 10 13.641 -4.628 -2.547 1.00 15.44 H new ATOM 151 N ASP A 11 10.569 -5.629 -4.081 1.00 30.23 N ATOM 152 CA ASP A 11 10.892 -6.927 -4.690 1.00 63.03 C ATOM 153 C ASP A 11 10.358 -7.028 -6.135 1.00 54.52 C ATOM 154 O ASP A 11 10.846 -7.828 -6.934 1.00 33.55 O ATOM 155 CB ASP A 11 10.312 -8.063 -3.844 1.00 21.53 C ATOM 156 CG ASP A 11 8.796 -8.044 -3.829 1.00 71.21 C ATOM 157 OD1 ASP A 11 8.219 -7.184 -3.140 1.00 5.43 O ATOM 158 OD2 ASP A 11 8.177 -8.882 -4.517 1.00 53.01 O ATOM 0 H ASP A 11 9.809 -5.660 -3.401 1.00 30.23 H new ATOM 0 HA ASP A 11 11.978 -7.014 -4.726 1.00 63.03 H new ATOM 0 HB2 ASP A 11 10.659 -9.020 -4.235 1.00 21.53 H new ATOM 0 HB3 ASP A 11 10.686 -7.982 -2.823 1.00 21.53 H new ATOM 163 N GLY A 12 9.349 -6.218 -6.455 1.00 41.11 N ATOM 164 CA GLY A 12 8.733 -6.260 -7.782 1.00 4.43 C ATOM 165 C GLY A 12 7.251 -6.631 -7.742 1.00 3.54 C ATOM 166 O GLY A 12 6.569 -6.604 -8.771 1.00 23.14 O ATOM 0 H GLY A 12 8.943 -5.530 -5.820 1.00 41.11 H new ATOM 0 HA2 GLY A 12 8.845 -5.287 -8.259 1.00 4.43 H new ATOM 0 HA3 GLY A 12 9.266 -6.982 -8.401 1.00 4.43 H new ATOM 170 N ARG A 13 6.753 -6.994 -6.559 1.00 32.51 N ATOM 171 CA ARG A 13 5.332 -7.329 -6.383 1.00 4.41 C ATOM 172 C ARG A 13 4.443 -6.074 -6.419 1.00 32.21 C ATOM 173 O ARG A 13 4.725 -5.084 -5.748 1.00 65.24 O ATOM 174 CB ARG A 13 5.119 -8.067 -5.052 1.00 12.04 C ATOM 175 CG ARG A 13 3.661 -8.399 -4.753 1.00 13.43 C ATOM 176 CD ARG A 13 3.507 -9.114 -3.415 1.00 64.40 C ATOM 177 NE ARG A 13 2.110 -9.438 -3.127 1.00 4.54 N ATOM 178 CZ ARG A 13 1.690 -9.949 -2.000 1.00 55.30 C ATOM 179 NH1 ARG A 13 2.523 -10.209 -1.042 1.00 2.13 N ATOM 180 NH2 ARG A 13 0.434 -10.199 -1.835 1.00 3.45 N ATOM 0 H ARG A 13 7.309 -7.065 -5.707 1.00 32.51 H new ATOM 0 HA ARG A 13 5.045 -7.975 -7.213 1.00 4.41 H new ATOM 0 HB2 ARG A 13 5.696 -8.992 -5.065 1.00 12.04 H new ATOM 0 HB3 ARG A 13 5.515 -7.455 -4.242 1.00 12.04 H new ATOM 0 HG2 ARG A 13 3.073 -7.481 -4.745 1.00 13.43 H new ATOM 0 HG3 ARG A 13 3.260 -9.027 -5.549 1.00 13.43 H new ATOM 0 HD2 ARG A 13 4.098 -10.030 -3.423 1.00 64.40 H new ATOM 0 HD3 ARG A 13 3.905 -8.485 -2.619 1.00 64.40 H new ATOM 0 HE ARG A 13 1.418 -9.253 -3.853 1.00 4.54 H new ATOM 0 HH11 ARG A 13 3.517 -10.015 -1.164 1.00 2.13 H new ATOM 0 HH12 ARG A 13 2.185 -10.608 -0.166 1.00 2.13 H new ATOM 0 HH21 ARG A 13 -0.229 -9.998 -2.584 1.00 3.45 H new ATOM 0 HH22 ARG A 13 0.105 -10.598 -0.956 1.00 3.45 H new ATOM 194 N GLU A 14 3.367 -6.120 -7.202 1.00 41.21 N ATOM 195 CA GLU A 14 2.402 -5.016 -7.249 1.00 34.02 C ATOM 196 C GLU A 14 1.121 -5.366 -6.479 1.00 21.23 C ATOM 197 O GLU A 14 0.526 -6.421 -6.691 1.00 53.33 O ATOM 198 CB GLU A 14 2.048 -4.672 -8.703 1.00 43.21 C ATOM 199 CG GLU A 14 3.222 -4.141 -9.526 1.00 22.14 C ATOM 200 CD GLU A 14 2.839 -3.866 -10.972 1.00 43.41 C ATOM 201 OE1 GLU A 14 2.779 -4.828 -11.769 1.00 71.14 O ATOM 202 OE2 GLU A 14 2.583 -2.694 -11.318 1.00 72.22 O ATOM 0 H GLU A 14 3.139 -6.905 -7.812 1.00 41.21 H new ATOM 0 HA GLU A 14 2.868 -4.151 -6.777 1.00 34.02 H new ATOM 0 HB2 GLU A 14 1.652 -5.564 -9.189 1.00 43.21 H new ATOM 0 HB3 GLU A 14 1.252 -3.928 -8.705 1.00 43.21 H new ATOM 0 HG2 GLU A 14 3.596 -3.224 -9.071 1.00 22.14 H new ATOM 0 HG3 GLU A 14 4.037 -4.864 -9.500 1.00 22.14 H new ATOM 209 N ILE A 15 0.703 -4.475 -5.586 1.00 32.15 N ATOM 210 CA ILE A 15 -0.538 -4.659 -4.829 1.00 24.20 C ATOM 211 C ILE A 15 -1.572 -3.592 -5.215 1.00 73.44 C ATOM 212 O ILE A 15 -1.335 -2.397 -5.049 1.00 30.31 O ATOM 213 CB ILE A 15 -0.283 -4.600 -3.299 1.00 23.12 C ATOM 214 CG1 ILE A 15 0.759 -5.656 -2.889 1.00 43.13 C ATOM 215 CG2 ILE A 15 -1.589 -4.803 -2.528 1.00 31.44 C ATOM 216 CD1 ILE A 15 1.090 -5.651 -1.409 1.00 40.43 C ATOM 0 H ILE A 15 1.205 -3.615 -5.366 1.00 32.15 H new ATOM 0 HA ILE A 15 -0.926 -5.646 -5.079 1.00 24.20 H new ATOM 0 HB ILE A 15 0.109 -3.614 -3.051 1.00 23.12 H new ATOM 0 HG12 ILE A 15 0.389 -6.643 -3.165 1.00 43.13 H new ATOM 0 HG13 ILE A 15 1.674 -5.488 -3.457 1.00 43.13 H new ATOM 0 HG21 ILE A 15 -1.390 -4.758 -1.457 1.00 31.44 H new ATOM 0 HG22 ILE A 15 -2.297 -4.019 -2.799 1.00 31.44 H new ATOM 0 HG23 ILE A 15 -2.012 -5.776 -2.778 1.00 31.44 H new ATOM 0 HD11 ILE A 15 1.831 -6.422 -1.199 1.00 40.43 H new ATOM 0 HD12 ILE A 15 1.491 -4.677 -1.129 1.00 40.43 H new ATOM 0 HD13 ILE A 15 0.186 -5.850 -0.833 1.00 40.43 H new ATOM 228 N GLN A 16 -2.716 -4.027 -5.733 1.00 75.03 N ATOM 229 CA GLN A 16 -3.764 -3.103 -6.183 1.00 73.03 C ATOM 230 C GLN A 16 -4.809 -2.854 -5.083 1.00 52.21 C ATOM 231 O GLN A 16 -5.306 -3.791 -4.452 1.00 11.30 O ATOM 232 CB GLN A 16 -4.441 -3.658 -7.440 1.00 43.44 C ATOM 233 CG GLN A 16 -3.482 -3.879 -8.606 1.00 54.35 C ATOM 234 CD GLN A 16 -4.164 -4.491 -9.819 1.00 54.45 C ATOM 235 OE1 GLN A 16 -4.220 -5.708 -9.970 1.00 14.23 O ATOM 236 NE2 GLN A 16 -4.681 -3.655 -10.693 1.00 51.44 N ATOM 0 H GLN A 16 -2.946 -5.013 -5.854 1.00 75.03 H new ATOM 0 HA GLN A 16 -3.294 -2.147 -6.415 1.00 73.03 H new ATOM 0 HB2 GLN A 16 -4.924 -4.604 -7.194 1.00 43.44 H new ATOM 0 HB3 GLN A 16 -5.227 -2.970 -7.753 1.00 43.44 H new ATOM 0 HG2 GLN A 16 -3.034 -2.926 -8.888 1.00 54.35 H new ATOM 0 HG3 GLN A 16 -2.669 -4.530 -8.284 1.00 54.35 H new ATOM 0 HE21 GLN A 16 -4.617 -2.649 -10.536 1.00 51.44 H new ATOM 0 HE22 GLN A 16 -5.146 -4.013 -11.527 1.00 51.44 H new ATOM 245 N ALA A 17 -5.143 -1.584 -4.867 1.00 40.20 N ATOM 246 CA ALA A 17 -6.098 -1.191 -3.824 1.00 53.44 C ATOM 247 C ALA A 17 -7.278 -0.388 -4.397 1.00 72.04 C ATOM 248 O ALA A 17 -7.178 0.211 -5.471 1.00 43.54 O ATOM 249 CB ALA A 17 -5.380 -0.378 -2.750 1.00 33.24 C ATOM 0 H ALA A 17 -4.766 -0.802 -5.402 1.00 40.20 H new ATOM 0 HA ALA A 17 -6.507 -2.101 -3.385 1.00 53.44 H new ATOM 0 HB1 ALA A 17 -6.092 -0.088 -1.977 1.00 33.24 H new ATOM 0 HB2 ALA A 17 -4.588 -0.981 -2.306 1.00 33.24 H new ATOM 0 HB3 ALA A 17 -4.947 0.516 -3.199 1.00 33.24 H new ATOM 255 N VAL A 18 -8.397 -0.387 -3.669 1.00 40.13 N ATOM 256 CA VAL A 18 -9.586 0.392 -4.052 1.00 42.54 C ATOM 257 C VAL A 18 -9.699 1.687 -3.221 1.00 22.13 C ATOM 258 O VAL A 18 -10.658 2.450 -3.359 1.00 54.14 O ATOM 259 CB VAL A 18 -10.886 -0.443 -3.896 1.00 11.25 C ATOM 260 CG1 VAL A 18 -10.878 -1.640 -4.847 1.00 12.13 C ATOM 261 CG2 VAL A 18 -11.068 -0.898 -2.448 1.00 53.03 C ATOM 0 H VAL A 18 -8.509 -0.919 -2.806 1.00 40.13 H new ATOM 0 HA VAL A 18 -9.466 0.658 -5.102 1.00 42.54 H new ATOM 0 HB VAL A 18 -11.732 0.192 -4.159 1.00 11.25 H new ATOM 0 HG11 VAL A 18 -11.798 -2.211 -4.721 1.00 12.13 H new ATOM 0 HG12 VAL A 18 -10.808 -1.287 -5.876 1.00 12.13 H new ATOM 0 HG13 VAL A 18 -10.022 -2.277 -4.623 1.00 12.13 H new ATOM 0 HG21 VAL A 18 -11.985 -1.481 -2.362 1.00 53.03 H new ATOM 0 HG22 VAL A 18 -10.218 -1.512 -2.150 1.00 53.03 H new ATOM 0 HG23 VAL A 18 -11.131 -0.026 -1.798 1.00 53.03 H new ATOM 271 N ASP A 19 -8.712 1.913 -2.356 1.00 13.41 N ATOM 272 CA ASP A 19 -8.621 3.134 -1.544 1.00 21.30 C ATOM 273 C ASP A 19 -7.189 3.691 -1.567 1.00 51.54 C ATOM 274 O ASP A 19 -6.238 2.965 -1.867 1.00 14.25 O ATOM 275 CB ASP A 19 -9.032 2.856 -0.089 1.00 53.21 C ATOM 276 CG ASP A 19 -10.531 2.702 0.092 1.00 22.13 C ATOM 277 OD1 ASP A 19 -11.208 3.721 0.338 1.00 34.21 O ATOM 278 OD2 ASP A 19 -11.040 1.565 0.010 1.00 71.11 O ATOM 0 H ASP A 19 -7.949 1.255 -2.195 1.00 13.41 H new ATOM 0 HA ASP A 19 -9.303 3.869 -1.973 1.00 21.30 H new ATOM 0 HB2 ASP A 19 -8.536 1.948 0.254 1.00 53.21 H new ATOM 0 HB3 ASP A 19 -8.678 3.670 0.543 1.00 53.21 H new ATOM 283 N THR A 20 -7.036 4.969 -1.228 1.00 22.23 N ATOM 284 CA THR A 20 -5.711 5.601 -1.186 1.00 10.22 C ATOM 285 C THR A 20 -4.963 5.246 0.109 1.00 4.01 C ATOM 286 O THR A 20 -5.569 5.156 1.184 1.00 20.24 O ATOM 287 CB THR A 20 -5.803 7.143 -1.314 1.00 64.41 C ATOM 288 OG1 THR A 20 -6.664 7.681 -0.297 1.00 73.10 O ATOM 289 CG2 THR A 20 -6.321 7.542 -2.694 1.00 61.52 C ATOM 0 H THR A 20 -7.807 5.589 -0.979 1.00 22.23 H new ATOM 0 HA THR A 20 -5.157 5.212 -2.040 1.00 10.22 H new ATOM 0 HB THR A 20 -4.801 7.552 -1.185 1.00 64.41 H new ATOM 0 HG1 THR A 20 -6.711 8.655 -0.390 1.00 73.10 H new ATOM 0 HG21 THR A 20 -6.377 8.628 -2.761 1.00 61.52 H new ATOM 0 HG22 THR A 20 -5.643 7.166 -3.460 1.00 61.52 H new ATOM 0 HG23 THR A 20 -7.313 7.117 -2.847 1.00 61.52 H new ATOM 297 N PRO A 21 -3.633 5.035 0.028 1.00 34.20 N ATOM 298 CA PRO A 21 -2.825 4.599 1.180 1.00 61.35 C ATOM 299 C PRO A 21 -2.539 5.715 2.203 1.00 75.44 C ATOM 300 O PRO A 21 -2.399 6.887 1.851 1.00 72.13 O ATOM 301 CB PRO A 21 -1.524 4.127 0.524 1.00 54.30 C ATOM 302 CG PRO A 21 -1.402 4.965 -0.704 1.00 2.14 C ATOM 303 CD PRO A 21 -2.811 5.201 -1.190 1.00 55.51 C ATOM 0 HA PRO A 21 -3.344 3.839 1.763 1.00 61.35 H new ATOM 0 HB2 PRO A 21 -0.671 4.268 1.187 1.00 54.30 H new ATOM 0 HB3 PRO A 21 -1.565 3.066 0.278 1.00 54.30 H new ATOM 0 HG2 PRO A 21 -0.902 5.908 -0.484 1.00 2.14 H new ATOM 0 HG3 PRO A 21 -0.807 4.459 -1.464 1.00 2.14 H new ATOM 0 HD2 PRO A 21 -2.926 6.197 -1.618 1.00 55.51 H new ATOM 0 HD3 PRO A 21 -3.093 4.487 -1.964 1.00 55.51 H new ATOM 311 N LYS A 22 -2.462 5.330 3.473 1.00 14.42 N ATOM 312 CA LYS A 22 -2.090 6.244 4.561 1.00 43.32 C ATOM 313 C LYS A 22 -0.706 5.879 5.116 1.00 54.24 C ATOM 314 O LYS A 22 -0.443 4.710 5.383 1.00 73.41 O ATOM 315 CB LYS A 22 -3.102 6.140 5.716 1.00 34.43 C ATOM 316 CG LYS A 22 -2.787 7.064 6.899 1.00 24.22 C ATOM 317 CD LYS A 22 -3.525 6.652 8.173 1.00 24.32 C ATOM 318 CE LYS A 22 -5.032 6.546 7.982 1.00 65.42 C ATOM 319 NZ LYS A 22 -5.691 5.985 9.191 1.00 42.23 N ATOM 0 H LYS A 22 -2.655 4.377 3.783 1.00 14.42 H new ATOM 0 HA LYS A 22 -2.080 7.256 4.156 1.00 43.32 H new ATOM 0 HB2 LYS A 22 -4.097 6.376 5.338 1.00 34.43 H new ATOM 0 HB3 LYS A 22 -3.131 5.109 6.070 1.00 34.43 H new ATOM 0 HG2 LYS A 22 -1.713 7.057 7.086 1.00 24.22 H new ATOM 0 HG3 LYS A 22 -3.059 8.087 6.640 1.00 24.22 H new ATOM 0 HD2 LYS A 22 -3.140 5.691 8.515 1.00 24.32 H new ATOM 0 HD3 LYS A 22 -3.314 7.378 8.959 1.00 24.32 H new ATOM 0 HE2 LYS A 22 -5.444 7.532 7.765 1.00 65.42 H new ATOM 0 HE3 LYS A 22 -5.248 5.914 7.121 1.00 65.42 H new ATOM 0 HZ1 LYS A 22 -6.715 5.909 9.025 1.00 42.23 H new ATOM 0 HZ2 LYS A 22 -5.302 5.042 9.392 1.00 42.23 H new ATOM 0 HZ3 LYS A 22 -5.518 6.611 10.003 1.00 42.23 H new ATOM 333 N TYR A 23 0.178 6.855 5.292 1.00 64.34 N ATOM 334 CA TYR A 23 1.417 6.608 6.035 1.00 64.02 C ATOM 335 C TYR A 23 1.202 6.898 7.526 1.00 60.34 C ATOM 336 O TYR A 23 0.882 8.024 7.909 1.00 23.54 O ATOM 337 CB TYR A 23 2.582 7.461 5.507 1.00 34.45 C ATOM 338 CG TYR A 23 3.858 7.294 6.326 1.00 42.51 C ATOM 339 CD1 TYR A 23 4.589 6.112 6.276 1.00 51.31 C ATOM 340 CD2 TYR A 23 4.317 8.307 7.164 1.00 22.21 C ATOM 341 CE1 TYR A 23 5.732 5.943 7.033 1.00 3.21 C ATOM 342 CE2 TYR A 23 5.463 8.146 7.921 1.00 4.44 C ATOM 343 CZ TYR A 23 6.166 6.962 7.852 1.00 72.32 C ATOM 344 OH TYR A 23 7.307 6.793 8.611 1.00 31.15 O ATOM 0 H TYR A 23 0.068 7.806 4.941 1.00 64.34 H new ATOM 0 HA TYR A 23 1.679 5.559 5.895 1.00 64.02 H new ATOM 0 HB2 TYR A 23 2.783 7.190 4.471 1.00 34.45 H new ATOM 0 HB3 TYR A 23 2.288 8.511 5.511 1.00 34.45 H new ATOM 0 HD1 TYR A 23 4.257 5.311 5.633 1.00 51.31 H new ATOM 0 HD2 TYR A 23 3.768 9.235 7.224 1.00 22.21 H new ATOM 0 HE1 TYR A 23 6.283 5.016 6.983 1.00 3.21 H new ATOM 0 HE2 TYR A 23 5.806 8.944 8.563 1.00 4.44 H new ATOM 0 HH TYR A 23 7.476 7.605 9.132 1.00 31.15 H new ATOM 354 N ASP A 24 1.383 5.885 8.363 1.00 60.00 N ATOM 355 CA ASP A 24 1.231 6.048 9.807 1.00 62.31 C ATOM 356 C ASP A 24 2.593 6.265 10.472 1.00 71.31 C ATOM 357 O ASP A 24 3.392 5.340 10.607 1.00 61.12 O ATOM 358 CB ASP A 24 0.533 4.827 10.411 1.00 72.33 C ATOM 359 CG ASP A 24 0.353 4.957 11.913 1.00 21.12 C ATOM 360 OD1 ASP A 24 -0.467 5.795 12.342 1.00 22.34 O ATOM 361 OD2 ASP A 24 1.024 4.221 12.666 1.00 55.32 O ATOM 0 H ASP A 24 1.635 4.941 8.069 1.00 60.00 H new ATOM 0 HA ASP A 24 0.615 6.928 9.990 1.00 62.31 H new ATOM 0 HB2 ASP A 24 -0.441 4.697 9.940 1.00 72.33 H new ATOM 0 HB3 ASP A 24 1.115 3.932 10.192 1.00 72.33 H new ATOM 366 N GLU A 25 2.849 7.502 10.878 1.00 54.35 N ATOM 367 CA GLU A 25 4.129 7.877 11.484 1.00 34.35 C ATOM 368 C GLU A 25 4.318 7.232 12.870 1.00 75.52 C ATOM 369 O GLU A 25 5.446 7.055 13.335 1.00 55.51 O ATOM 370 CB GLU A 25 4.200 9.406 11.592 1.00 3.22 C ATOM 371 CG GLU A 25 5.534 9.942 12.098 1.00 53.13 C ATOM 372 CD GLU A 25 5.522 11.452 12.257 1.00 22.33 C ATOM 373 OE1 GLU A 25 5.810 12.164 11.272 1.00 71.13 O ATOM 374 OE2 GLU A 25 5.208 11.937 13.363 1.00 20.21 O ATOM 0 H GLU A 25 2.184 8.271 10.799 1.00 54.35 H new ATOM 0 HA GLU A 25 4.934 7.509 10.848 1.00 34.35 H new ATOM 0 HB2 GLU A 25 3.998 9.837 10.611 1.00 3.22 H new ATOM 0 HB3 GLU A 25 3.409 9.748 12.259 1.00 3.22 H new ATOM 0 HG2 GLU A 25 5.770 9.479 13.056 1.00 53.13 H new ATOM 0 HG3 GLU A 25 6.325 9.658 11.404 1.00 53.13 H new ATOM 381 N GLU A 26 3.210 6.865 13.513 1.00 43.32 N ATOM 382 CA GLU A 26 3.246 6.301 14.867 1.00 44.42 C ATOM 383 C GLU A 26 3.870 4.893 14.905 1.00 51.04 C ATOM 384 O GLU A 26 4.608 4.559 15.834 1.00 3.20 O ATOM 385 CB GLU A 26 1.829 6.273 15.459 1.00 23.22 C ATOM 386 CG GLU A 26 1.181 7.652 15.586 1.00 11.33 C ATOM 387 CD GLU A 26 1.950 8.587 16.515 1.00 2.12 C ATOM 388 OE1 GLU A 26 1.745 8.515 17.744 1.00 64.20 O ATOM 389 OE2 GLU A 26 2.762 9.397 16.020 1.00 44.32 O ATOM 0 H GLU A 26 2.273 6.947 13.119 1.00 43.32 H new ATOM 0 HA GLU A 26 3.884 6.946 15.471 1.00 44.42 H new ATOM 0 HB2 GLU A 26 1.197 5.642 14.833 1.00 23.22 H new ATOM 0 HB3 GLU A 26 1.867 5.809 16.444 1.00 23.22 H new ATOM 0 HG2 GLU A 26 1.111 8.107 14.598 1.00 11.33 H new ATOM 0 HG3 GLU A 26 0.163 7.536 15.957 1.00 11.33 H new ATOM 396 N SER A 27 3.572 4.062 13.904 1.00 61.01 N ATOM 397 CA SER A 27 4.124 2.694 13.855 1.00 71.33 C ATOM 398 C SER A 27 5.009 2.459 12.614 1.00 42.32 C ATOM 399 O SER A 27 5.911 1.618 12.639 1.00 62.11 O ATOM 400 CB SER A 27 2.997 1.652 13.894 1.00 14.13 C ATOM 401 OG SER A 27 3.517 0.337 14.014 1.00 53.42 O ATOM 0 H SER A 27 2.961 4.302 13.123 1.00 61.01 H new ATOM 0 HA SER A 27 4.755 2.581 14.736 1.00 71.33 H new ATOM 0 HB2 SER A 27 2.334 1.861 14.733 1.00 14.13 H new ATOM 0 HB3 SER A 27 2.397 1.727 12.987 1.00 14.13 H new ATOM 0 HG SER A 27 3.569 -0.076 13.127 1.00 53.42 H new ATOM 407 N GLY A 28 4.748 3.193 11.530 1.00 12.33 N ATOM 408 CA GLY A 28 5.583 3.085 10.328 1.00 5.34 C ATOM 409 C GLY A 28 4.941 2.290 9.188 1.00 1.40 C ATOM 410 O GLY A 28 5.614 1.945 8.215 1.00 33.25 O ATOM 0 H GLY A 28 3.979 3.859 11.457 1.00 12.33 H new ATOM 0 HA2 GLY A 28 5.817 4.088 9.970 1.00 5.34 H new ATOM 0 HA3 GLY A 28 6.529 2.614 10.597 1.00 5.34 H new ATOM 414 N PHE A 29 3.647 1.993 9.302 1.00 75.42 N ATOM 415 CA PHE A 29 2.949 1.168 8.303 1.00 45.14 C ATOM 416 C PHE A 29 2.089 2.003 7.336 1.00 64.20 C ATOM 417 O PHE A 29 1.676 3.121 7.648 1.00 42.44 O ATOM 418 CB PHE A 29 2.063 0.132 9.011 1.00 11.21 C ATOM 419 CG PHE A 29 2.841 -0.925 9.756 1.00 33.33 C ATOM 420 CD1 PHE A 29 3.381 -2.008 9.080 1.00 25.44 C ATOM 421 CD2 PHE A 29 3.038 -0.833 11.124 1.00 52.22 C ATOM 422 CE1 PHE A 29 4.097 -2.976 9.754 1.00 61.14 C ATOM 423 CE2 PHE A 29 3.754 -1.799 11.802 1.00 13.43 C ATOM 424 CZ PHE A 29 4.284 -2.873 11.115 1.00 20.31 C ATOM 0 H PHE A 29 3.057 2.308 10.072 1.00 75.42 H new ATOM 0 HA PHE A 29 3.716 0.671 7.709 1.00 45.14 H new ATOM 0 HB2 PHE A 29 1.405 0.647 9.711 1.00 11.21 H new ATOM 0 HB3 PHE A 29 1.425 -0.353 8.272 1.00 11.21 H new ATOM 0 HD1 PHE A 29 3.240 -2.095 8.013 1.00 25.44 H new ATOM 0 HD2 PHE A 29 2.626 0.005 11.667 1.00 52.22 H new ATOM 0 HE1 PHE A 29 4.511 -3.815 9.214 1.00 61.14 H new ATOM 0 HE2 PHE A 29 3.899 -1.715 12.869 1.00 13.43 H new ATOM 0 HZ PHE A 29 4.844 -3.631 11.643 1.00 20.31 H new ATOM 434 N TYR A 30 1.828 1.439 6.157 1.00 72.14 N ATOM 435 CA TYR A 30 0.920 2.041 5.173 1.00 61.23 C ATOM 436 C TYR A 30 -0.454 1.351 5.202 1.00 11.34 C ATOM 437 O TYR A 30 -0.550 0.134 5.045 1.00 62.43 O ATOM 438 CB TYR A 30 1.514 1.956 3.757 1.00 0.45 C ATOM 439 CG TYR A 30 2.612 2.968 3.476 1.00 54.31 C ATOM 440 CD1 TYR A 30 3.926 2.735 3.865 1.00 44.43 C ATOM 441 CD2 TYR A 30 2.330 4.157 2.809 1.00 4.53 C ATOM 442 CE1 TYR A 30 4.922 3.656 3.600 1.00 72.02 C ATOM 443 CE2 TYR A 30 3.321 5.080 2.542 1.00 3.20 C ATOM 444 CZ TYR A 30 4.615 4.826 2.940 1.00 71.35 C ATOM 445 OH TYR A 30 5.607 5.743 2.677 1.00 53.42 O ATOM 0 H TYR A 30 2.237 0.555 5.855 1.00 72.14 H new ATOM 0 HA TYR A 30 0.792 3.090 5.439 1.00 61.23 H new ATOM 0 HB2 TYR A 30 1.913 0.953 3.603 1.00 0.45 H new ATOM 0 HB3 TYR A 30 0.713 2.096 3.031 1.00 0.45 H new ATOM 0 HD1 TYR A 30 4.173 1.820 4.383 1.00 44.43 H new ATOM 0 HD2 TYR A 30 1.317 4.361 2.495 1.00 4.53 H new ATOM 0 HE1 TYR A 30 5.938 3.459 3.909 1.00 72.02 H new ATOM 0 HE2 TYR A 30 3.083 5.997 2.023 1.00 3.20 H new ATOM 0 HH TYR A 30 5.225 6.512 2.205 1.00 53.42 H new ATOM 455 N GLU A 31 -1.508 2.141 5.402 1.00 64.14 N ATOM 456 CA GLU A 31 -2.882 1.625 5.506 1.00 62.03 C ATOM 457 C GLU A 31 -3.659 1.789 4.189 1.00 54.43 C ATOM 458 O GLU A 31 -3.817 2.901 3.685 1.00 2.22 O ATOM 459 CB GLU A 31 -3.609 2.368 6.630 1.00 3.12 C ATOM 460 CG GLU A 31 -2.965 2.166 7.992 1.00 34.43 C ATOM 461 CD GLU A 31 -3.466 3.134 9.048 1.00 3.25 C ATOM 462 OE1 GLU A 31 -4.688 3.393 9.105 1.00 0.10 O ATOM 463 OE2 GLU A 31 -2.635 3.639 9.826 1.00 22.53 O ATOM 0 H GLU A 31 -1.439 3.154 5.497 1.00 64.14 H new ATOM 0 HA GLU A 31 -2.830 0.558 5.724 1.00 62.03 H new ATOM 0 HB2 GLU A 31 -3.630 3.433 6.399 1.00 3.12 H new ATOM 0 HB3 GLU A 31 -4.644 2.030 6.671 1.00 3.12 H new ATOM 0 HG2 GLU A 31 -3.154 1.146 8.327 1.00 34.43 H new ATOM 0 HG3 GLU A 31 -1.885 2.275 7.894 1.00 34.43 H new ATOM 470 N PHE A 32 -4.150 0.681 3.646 1.00 32.44 N ATOM 471 CA PHE A 32 -4.931 0.705 2.403 1.00 70.30 C ATOM 472 C PHE A 32 -5.874 -0.504 2.312 1.00 0.14 C ATOM 473 O PHE A 32 -5.703 -1.500 3.022 1.00 62.11 O ATOM 474 CB PHE A 32 -3.994 0.741 1.185 1.00 3.43 C ATOM 475 CG PHE A 32 -3.059 -0.442 1.095 1.00 63.41 C ATOM 476 CD1 PHE A 32 -1.898 -0.488 1.857 1.00 63.22 C ATOM 477 CD2 PHE A 32 -3.341 -1.508 0.250 1.00 20.24 C ATOM 478 CE1 PHE A 32 -1.043 -1.569 1.778 1.00 72.43 C ATOM 479 CE2 PHE A 32 -2.486 -2.592 0.169 1.00 40.44 C ATOM 480 CZ PHE A 32 -1.336 -2.622 0.934 1.00 64.04 C ATOM 0 H PHE A 32 -4.024 -0.250 4.044 1.00 32.44 H new ATOM 0 HA PHE A 32 -5.542 1.608 2.409 1.00 70.30 H new ATOM 0 HB2 PHE A 32 -4.596 0.785 0.277 1.00 3.43 H new ATOM 0 HB3 PHE A 32 -3.403 1.656 1.221 1.00 3.43 H new ATOM 0 HD1 PHE A 32 -1.662 0.332 2.519 1.00 63.22 H new ATOM 0 HD2 PHE A 32 -4.238 -1.490 -0.351 1.00 20.24 H new ATOM 0 HE1 PHE A 32 -0.144 -1.591 2.377 1.00 72.43 H new ATOM 0 HE2 PHE A 32 -2.717 -3.414 -0.492 1.00 40.44 H new ATOM 0 HZ PHE A 32 -0.667 -3.468 0.872 1.00 64.04 H new ATOM 490 N LYS A 33 -6.871 -0.406 1.437 1.00 63.15 N ATOM 491 CA LYS A 33 -7.831 -1.495 1.234 1.00 12.02 C ATOM 492 C LYS A 33 -7.579 -2.222 -0.097 1.00 71.24 C ATOM 493 O LYS A 33 -7.744 -1.645 -1.172 1.00 3.21 O ATOM 494 CB LYS A 33 -9.265 -0.956 1.262 1.00 51.12 C ATOM 495 CG LYS A 33 -10.327 -2.045 1.139 1.00 0.42 C ATOM 496 CD LYS A 33 -11.751 -1.483 1.096 1.00 54.02 C ATOM 497 CE LYS A 33 -12.148 -0.779 2.392 1.00 23.41 C ATOM 498 NZ LYS A 33 -11.513 0.560 2.548 1.00 71.25 N ATOM 0 H LYS A 33 -7.038 0.415 0.855 1.00 63.15 H new ATOM 0 HA LYS A 33 -7.697 -2.208 2.047 1.00 12.02 H new ATOM 0 HB2 LYS A 33 -9.422 -0.410 2.193 1.00 51.12 H new ATOM 0 HB3 LYS A 33 -9.392 -0.242 0.448 1.00 51.12 H new ATOM 0 HG2 LYS A 33 -10.143 -2.625 0.235 1.00 0.42 H new ATOM 0 HG3 LYS A 33 -10.237 -2.731 1.982 1.00 0.42 H new ATOM 0 HD2 LYS A 33 -11.835 -0.781 0.266 1.00 54.02 H new ATOM 0 HD3 LYS A 33 -12.451 -2.295 0.899 1.00 54.02 H new ATOM 0 HE2 LYS A 33 -13.232 -0.666 2.420 1.00 23.41 H new ATOM 0 HE3 LYS A 33 -11.871 -1.407 3.239 1.00 23.41 H new ATOM 0 HZ1 LYS A 33 -12.229 1.250 2.853 1.00 71.25 H new ATOM 0 HZ2 LYS A 33 -10.759 0.505 3.262 1.00 71.25 H new ATOM 0 HZ3 LYS A 33 -11.108 0.860 1.638 1.00 71.25 H new ATOM 512 N GLN A 34 -7.192 -3.492 -0.007 1.00 24.51 N ATOM 513 CA GLN A 34 -6.900 -4.314 -1.192 1.00 14.32 C ATOM 514 C GLN A 34 -8.150 -4.558 -2.056 1.00 54.33 C ATOM 515 O GLN A 34 -9.277 -4.284 -1.634 1.00 43.03 O ATOM 516 CB GLN A 34 -6.318 -5.664 -0.754 1.00 11.12 C ATOM 517 CG GLN A 34 -5.030 -5.556 0.054 1.00 23.51 C ATOM 518 CD GLN A 34 -4.471 -6.917 0.436 1.00 11.41 C ATOM 519 OE1 GLN A 34 -3.691 -7.508 -0.305 1.00 64.43 O ATOM 520 NE2 GLN A 34 -4.866 -7.429 1.587 1.00 64.32 N ATOM 0 H GLN A 34 -7.071 -3.983 0.879 1.00 24.51 H new ATOM 0 HA GLN A 34 -6.178 -3.765 -1.797 1.00 14.32 H new ATOM 0 HB2 GLN A 34 -7.063 -6.193 -0.160 1.00 11.12 H new ATOM 0 HB3 GLN A 34 -6.128 -6.270 -1.640 1.00 11.12 H new ATOM 0 HG2 GLN A 34 -4.285 -5.010 -0.525 1.00 23.51 H new ATOM 0 HG3 GLN A 34 -5.219 -4.977 0.958 1.00 23.51 H new ATOM 0 HE21 GLN A 34 -5.515 -6.911 2.179 1.00 64.32 H new ATOM 0 HE22 GLN A 34 -4.522 -8.342 1.884 1.00 64.32 H new ATOM 529 N LEU A 35 -7.941 -5.099 -3.260 1.00 61.30 N ATOM 530 CA LEU A 35 -9.048 -5.446 -4.168 1.00 1.24 C ATOM 531 C LEU A 35 -10.067 -6.387 -3.503 1.00 42.45 C ATOM 532 O LEU A 35 -11.244 -6.400 -3.861 1.00 13.31 O ATOM 533 CB LEU A 35 -8.504 -6.107 -5.443 1.00 23.34 C ATOM 534 CG LEU A 35 -7.603 -5.223 -6.317 1.00 21.15 C ATOM 535 CD1 LEU A 35 -7.112 -6.000 -7.537 1.00 5.05 C ATOM 536 CD2 LEU A 35 -8.339 -3.952 -6.743 1.00 42.33 C ATOM 0 H LEU A 35 -7.015 -5.308 -3.633 1.00 61.30 H new ATOM 0 HA LEU A 35 -9.559 -4.517 -4.420 1.00 1.24 H new ATOM 0 HB2 LEU A 35 -7.943 -6.997 -5.158 1.00 23.34 H new ATOM 0 HB3 LEU A 35 -9.348 -6.442 -6.046 1.00 23.34 H new ATOM 0 HG LEU A 35 -6.735 -4.929 -5.727 1.00 21.15 H new ATOM 0 HD11 LEU A 35 -6.475 -5.358 -8.145 1.00 5.05 H new ATOM 0 HD12 LEU A 35 -6.543 -6.870 -7.209 1.00 5.05 H new ATOM 0 HD13 LEU A 35 -7.967 -6.327 -8.128 1.00 5.05 H new ATOM 0 HD21 LEU A 35 -7.682 -3.341 -7.361 1.00 42.33 H new ATOM 0 HD22 LEU A 35 -9.228 -4.220 -7.314 1.00 42.33 H new ATOM 0 HD23 LEU A 35 -8.633 -3.388 -5.858 1.00 42.33 H new ATOM 548 N ASP A 36 -9.607 -7.165 -2.529 1.00 4.35 N ATOM 549 CA ASP A 36 -10.466 -8.112 -1.813 1.00 24.34 C ATOM 550 C ASP A 36 -11.444 -7.396 -0.855 1.00 21.04 C ATOM 551 O ASP A 36 -12.305 -8.032 -0.244 1.00 4.02 O ATOM 552 CB ASP A 36 -9.593 -9.088 -1.019 1.00 51.42 C ATOM 553 CG ASP A 36 -8.577 -9.802 -1.892 1.00 53.03 C ATOM 554 OD1 ASP A 36 -7.454 -9.279 -2.061 1.00 34.54 O ATOM 555 OD2 ASP A 36 -8.898 -10.888 -2.418 1.00 63.23 O ATOM 0 H ASP A 36 -8.637 -7.161 -2.213 1.00 4.35 H new ATOM 0 HA ASP A 36 -11.061 -8.649 -2.552 1.00 24.34 H new ATOM 0 HB2 ASP A 36 -9.072 -8.545 -0.230 1.00 51.42 H new ATOM 0 HB3 ASP A 36 -10.230 -9.826 -0.531 1.00 51.42 H new ATOM 560 N GLY A 37 -11.314 -6.075 -0.737 1.00 23.24 N ATOM 561 CA GLY A 37 -12.123 -5.320 0.217 1.00 2.32 C ATOM 562 C GLY A 37 -11.620 -5.468 1.650 1.00 44.14 C ATOM 563 O GLY A 37 -12.392 -5.384 2.605 1.00 20.43 O ATOM 0 H GLY A 37 -10.663 -5.511 -1.284 1.00 23.24 H new ATOM 0 HA2 GLY A 37 -12.118 -4.266 -0.060 1.00 2.32 H new ATOM 0 HA3 GLY A 37 -13.157 -5.659 0.161 1.00 2.32 H new ATOM 567 N LYS A 38 -10.315 -5.691 1.788 1.00 43.23 N ATOM 568 CA LYS A 38 -9.685 -5.921 3.094 1.00 50.20 C ATOM 569 C LYS A 38 -8.662 -4.821 3.422 1.00 34.13 C ATOM 570 O LYS A 38 -7.836 -4.460 2.578 1.00 11.52 O ATOM 571 CB LYS A 38 -8.985 -7.287 3.097 1.00 44.22 C ATOM 572 CG LYS A 38 -9.913 -8.463 2.808 1.00 61.02 C ATOM 573 CD LYS A 38 -9.158 -9.794 2.785 1.00 62.43 C ATOM 574 CE LYS A 38 -8.535 -10.126 4.140 1.00 35.55 C ATOM 575 NZ LYS A 38 -9.555 -10.211 5.217 1.00 33.11 N ATOM 0 H LYS A 38 -9.663 -5.718 1.004 1.00 43.23 H new ATOM 0 HA LYS A 38 -10.466 -5.901 3.854 1.00 50.20 H new ATOM 0 HB2 LYS A 38 -8.188 -7.276 2.354 1.00 44.22 H new ATOM 0 HB3 LYS A 38 -8.514 -7.440 4.068 1.00 44.22 H new ATOM 0 HG2 LYS A 38 -10.695 -8.503 3.566 1.00 61.02 H new ATOM 0 HG3 LYS A 38 -10.406 -8.309 1.848 1.00 61.02 H new ATOM 0 HD2 LYS A 38 -9.841 -10.593 2.495 1.00 62.43 H new ATOM 0 HD3 LYS A 38 -8.376 -9.753 2.027 1.00 62.43 H new ATOM 0 HE2 LYS A 38 -8.001 -11.074 4.071 1.00 35.55 H new ATOM 0 HE3 LYS A 38 -7.799 -9.364 4.397 1.00 35.55 H new ATOM 0 HZ1 LYS A 38 -9.128 -10.632 6.067 1.00 33.11 H new ATOM 0 HZ2 LYS A 38 -9.903 -9.257 5.441 1.00 33.11 H new ATOM 0 HZ3 LYS A 38 -10.348 -10.803 4.898 1.00 33.11 H new ATOM 589 N GLN A 39 -8.715 -4.297 4.643 1.00 53.50 N ATOM 590 CA GLN A 39 -7.763 -3.273 5.088 1.00 72.31 C ATOM 591 C GLN A 39 -6.517 -3.920 5.712 1.00 12.13 C ATOM 592 O GLN A 39 -6.618 -4.698 6.662 1.00 53.34 O ATOM 593 CB GLN A 39 -8.423 -2.332 6.106 1.00 45.31 C ATOM 594 CG GLN A 39 -7.480 -1.259 6.656 1.00 3.43 C ATOM 595 CD GLN A 39 -8.101 -0.436 7.774 1.00 14.34 C ATOM 596 OE1 GLN A 39 -8.960 -0.912 8.509 1.00 54.13 O ATOM 597 NE2 GLN A 39 -7.661 0.798 7.922 1.00 2.33 N ATOM 0 H GLN A 39 -9.406 -4.562 5.345 1.00 53.50 H new ATOM 0 HA GLN A 39 -7.458 -2.696 4.215 1.00 72.31 H new ATOM 0 HB2 GLN A 39 -9.278 -1.845 5.636 1.00 45.31 H new ATOM 0 HB3 GLN A 39 -8.809 -2.923 6.936 1.00 45.31 H new ATOM 0 HG2 GLN A 39 -6.572 -1.736 7.025 1.00 3.43 H new ATOM 0 HG3 GLN A 39 -7.183 -0.594 5.845 1.00 3.43 H new ATOM 0 HE21 GLN A 39 -6.946 1.163 7.293 1.00 2.33 H new ATOM 0 HE22 GLN A 39 -8.036 1.387 8.665 1.00 2.33 H new ATOM 606 N THR A 40 -5.344 -3.593 5.178 1.00 4.04 N ATOM 607 CA THR A 40 -4.079 -4.128 5.700 1.00 70.11 C ATOM 608 C THR A 40 -3.029 -3.026 5.874 1.00 3.44 C ATOM 609 O THR A 40 -3.179 -1.919 5.348 1.00 12.24 O ATOM 610 CB THR A 40 -3.501 -5.234 4.782 1.00 73.01 C ATOM 611 OG1 THR A 40 -2.279 -5.748 5.340 1.00 24.50 O ATOM 612 CG2 THR A 40 -3.243 -4.706 3.371 1.00 24.35 C ATOM 0 H THR A 40 -5.237 -2.961 4.385 1.00 4.04 H new ATOM 0 HA THR A 40 -4.310 -4.559 6.674 1.00 70.11 H new ATOM 0 HB THR A 40 -4.237 -6.035 4.717 1.00 73.01 H new ATOM 0 HG1 THR A 40 -1.921 -6.448 4.755 1.00 24.50 H new ATOM 0 HG21 THR A 40 -2.838 -5.506 2.752 1.00 24.35 H new ATOM 0 HG22 THR A 40 -4.178 -4.351 2.939 1.00 24.35 H new ATOM 0 HG23 THR A 40 -2.529 -3.884 3.415 1.00 24.35 H new ATOM 620 N ARG A 41 -1.965 -3.333 6.614 1.00 31.14 N ATOM 621 CA ARG A 41 -0.892 -2.366 6.871 1.00 51.12 C ATOM 622 C ARG A 41 0.475 -2.989 6.543 1.00 2.13 C ATOM 623 O ARG A 41 0.818 -4.050 7.064 1.00 31.10 O ATOM 624 CB ARG A 41 -0.918 -1.917 8.344 1.00 23.05 C ATOM 625 CG ARG A 41 -2.296 -1.479 8.841 1.00 22.52 C ATOM 626 CD ARG A 41 -2.258 -0.983 10.288 1.00 23.51 C ATOM 627 NE ARG A 41 -1.756 0.388 10.393 1.00 4.42 N ATOM 628 CZ ARG A 41 -1.222 0.905 11.469 1.00 52.33 C ATOM 629 NH1 ARG A 41 -0.972 0.176 12.510 1.00 54.34 N ATOM 630 NH2 ARG A 41 -0.929 2.163 11.493 1.00 52.14 N ATOM 0 H ARG A 41 -1.820 -4.245 7.048 1.00 31.14 H new ATOM 0 HA ARG A 41 -1.050 -1.497 6.232 1.00 51.12 H new ATOM 0 HB2 ARG A 41 -0.563 -2.737 8.968 1.00 23.05 H new ATOM 0 HB3 ARG A 41 -0.218 -1.091 8.473 1.00 23.05 H new ATOM 0 HG2 ARG A 41 -2.678 -0.687 8.197 1.00 22.52 H new ATOM 0 HG3 ARG A 41 -2.991 -2.315 8.763 1.00 22.52 H new ATOM 0 HD2 ARG A 41 -3.260 -1.034 10.714 1.00 23.51 H new ATOM 0 HD3 ARG A 41 -1.626 -1.645 10.880 1.00 23.51 H new ATOM 0 HE ARG A 41 -1.828 0.983 9.568 1.00 4.42 H new ATOM 0 HH11 ARG A 41 -1.192 -0.820 12.500 1.00 54.34 H new ATOM 0 HH12 ARG A 41 -0.555 0.598 13.340 1.00 54.34 H new ATOM 0 HH21 ARG A 41 -1.114 2.745 10.676 1.00 52.14 H new ATOM 0 HH22 ARG A 41 -0.512 2.574 12.328 1.00 52.14 H new ATOM 644 N ILE A 42 1.256 -2.327 5.693 1.00 35.13 N ATOM 645 CA ILE A 42 2.571 -2.849 5.284 1.00 43.34 C ATOM 646 C ILE A 42 3.707 -1.882 5.664 1.00 12.24 C ATOM 647 O ILE A 42 3.538 -0.666 5.615 1.00 54.12 O ATOM 648 CB ILE A 42 2.604 -3.137 3.760 1.00 5.03 C ATOM 649 CG1 ILE A 42 3.902 -3.864 3.377 1.00 5.25 C ATOM 650 CG2 ILE A 42 2.443 -1.845 2.952 1.00 12.14 C ATOM 651 CD1 ILE A 42 3.957 -4.296 1.928 1.00 75.35 C ATOM 0 H ILE A 42 1.009 -1.431 5.272 1.00 35.13 H new ATOM 0 HA ILE A 42 2.728 -3.784 5.821 1.00 43.34 H new ATOM 0 HB ILE A 42 1.763 -3.787 3.519 1.00 5.03 H new ATOM 0 HG12 ILE A 42 4.748 -3.209 3.583 1.00 5.25 H new ATOM 0 HG13 ILE A 42 4.016 -4.742 4.013 1.00 5.25 H new ATOM 0 HG21 ILE A 42 2.470 -2.076 1.887 1.00 12.14 H new ATOM 0 HG22 ILE A 42 1.489 -1.378 3.198 1.00 12.14 H new ATOM 0 HG23 ILE A 42 3.255 -1.160 3.195 1.00 12.14 H new ATOM 0 HD11 ILE A 42 4.903 -4.802 1.735 1.00 75.35 H new ATOM 0 HD12 ILE A 42 3.132 -4.977 1.720 1.00 75.35 H new ATOM 0 HD13 ILE A 42 3.876 -3.420 1.284 1.00 75.35 H new ATOM 663 N ASN A 43 4.859 -2.429 6.055 1.00 71.21 N ATOM 664 CA ASN A 43 5.974 -1.608 6.554 1.00 74.45 C ATOM 665 C ASN A 43 6.545 -0.664 5.476 1.00 64.14 C ATOM 666 O ASN A 43 6.580 -0.991 4.288 1.00 64.50 O ATOM 667 CB ASN A 43 7.085 -2.502 7.113 1.00 23.13 C ATOM 668 CG ASN A 43 8.090 -1.718 7.936 1.00 62.22 C ATOM 669 OD1 ASN A 43 7.755 -0.718 8.561 1.00 32.15 O ATOM 670 ND2 ASN A 43 9.329 -2.153 7.939 1.00 53.15 N ATOM 0 H ASN A 43 5.048 -3.431 6.038 1.00 71.21 H new ATOM 0 HA ASN A 43 5.574 -0.981 7.351 1.00 74.45 H new ATOM 0 HB2 ASN A 43 6.644 -3.285 7.730 1.00 23.13 H new ATOM 0 HB3 ASN A 43 7.599 -2.998 6.290 1.00 23.13 H new ATOM 0 HD21 ASN A 43 10.043 -1.656 8.471 1.00 53.15 H new ATOM 0 HD22 ASN A 43 9.578 -2.988 7.409 1.00 53.15 H new ATOM 677 N LYS A 44 7.016 0.501 5.921 1.00 32.22 N ATOM 678 CA LYS A 44 7.468 1.576 5.021 1.00 51.21 C ATOM 679 C LYS A 44 8.694 1.201 4.166 1.00 63.22 C ATOM 680 O LYS A 44 8.923 1.801 3.117 1.00 12.44 O ATOM 681 CB LYS A 44 7.776 2.838 5.838 1.00 1.35 C ATOM 682 CG LYS A 44 8.815 2.623 6.938 1.00 12.50 C ATOM 683 CD LYS A 44 9.045 3.891 7.759 1.00 45.41 C ATOM 684 CE LYS A 44 9.637 5.018 6.917 1.00 34.24 C ATOM 685 NZ LYS A 44 9.827 6.256 7.715 1.00 4.40 N ATOM 0 H LYS A 44 7.097 0.731 6.911 1.00 32.22 H new ATOM 0 HA LYS A 44 6.650 1.755 4.323 1.00 51.21 H new ATOM 0 HB2 LYS A 44 8.130 3.618 5.164 1.00 1.35 H new ATOM 0 HB3 LYS A 44 6.853 3.202 6.289 1.00 1.35 H new ATOM 0 HG2 LYS A 44 8.486 1.819 7.596 1.00 12.50 H new ATOM 0 HG3 LYS A 44 9.757 2.304 6.491 1.00 12.50 H new ATOM 0 HD2 LYS A 44 8.100 4.219 8.191 1.00 45.41 H new ATOM 0 HD3 LYS A 44 9.715 3.669 8.590 1.00 45.41 H new ATOM 0 HE2 LYS A 44 10.594 4.700 6.504 1.00 34.24 H new ATOM 0 HE3 LYS A 44 8.979 5.226 6.073 1.00 34.24 H new ATOM 0 HZ1 LYS A 44 10.101 7.037 7.085 1.00 4.40 H new ATOM 0 HZ2 LYS A 44 8.938 6.497 8.198 1.00 4.40 H new ATOM 0 HZ3 LYS A 44 10.575 6.102 8.421 1.00 4.40 H new ATOM 699 N ASP A 45 9.486 0.223 4.597 1.00 64.22 N ATOM 700 CA ASP A 45 10.697 -0.150 3.852 1.00 44.14 C ATOM 701 C ASP A 45 10.382 -1.107 2.685 1.00 23.33 C ATOM 702 O ASP A 45 11.240 -1.373 1.838 1.00 55.44 O ATOM 703 CB ASP A 45 11.748 -0.768 4.788 1.00 4.30 C ATOM 704 CG ASP A 45 11.336 -2.107 5.384 1.00 21.32 C ATOM 705 OD1 ASP A 45 10.140 -2.451 5.344 1.00 73.23 O ATOM 706 OD2 ASP A 45 12.221 -2.825 5.899 1.00 33.35 O ATOM 0 H ASP A 45 9.320 -0.321 5.444 1.00 64.22 H new ATOM 0 HA ASP A 45 11.107 0.765 3.425 1.00 44.14 H new ATOM 0 HB2 ASP A 45 12.679 -0.899 4.236 1.00 4.30 H new ATOM 0 HB3 ASP A 45 11.953 -0.069 5.599 1.00 4.30 H new ATOM 711 N GLN A 46 9.156 -1.625 2.652 1.00 41.41 N ATOM 712 CA GLN A 46 8.734 -2.566 1.604 1.00 20.51 C ATOM 713 C GLN A 46 8.298 -1.838 0.322 1.00 11.14 C ATOM 714 O GLN A 46 8.420 -2.376 -0.780 1.00 12.24 O ATOM 715 CB GLN A 46 7.569 -3.427 2.115 1.00 0.22 C ATOM 716 CG GLN A 46 7.823 -4.079 3.470 1.00 25.43 C ATOM 717 CD GLN A 46 8.868 -5.183 3.435 1.00 21.51 C ATOM 718 OE1 GLN A 46 9.774 -5.186 2.607 1.00 73.45 O ATOM 719 NE2 GLN A 46 8.764 -6.122 4.353 1.00 54.20 N ATOM 0 H GLN A 46 8.432 -1.411 3.338 1.00 41.41 H new ATOM 0 HA GLN A 46 9.592 -3.194 1.364 1.00 20.51 H new ATOM 0 HB2 GLN A 46 6.676 -2.806 2.185 1.00 0.22 H new ATOM 0 HB3 GLN A 46 7.359 -4.206 1.383 1.00 0.22 H new ATOM 0 HG2 GLN A 46 8.141 -3.313 4.177 1.00 25.43 H new ATOM 0 HG3 GLN A 46 6.886 -4.490 3.846 1.00 25.43 H new ATOM 0 HE21 GLN A 46 8.000 -6.093 5.028 1.00 54.20 H new ATOM 0 HE22 GLN A 46 9.448 -6.878 4.389 1.00 54.20 H new ATOM 728 N VAL A 47 7.801 -0.612 0.469 1.00 31.11 N ATOM 729 CA VAL A 47 7.219 0.124 -0.660 1.00 73.44 C ATOM 730 C VAL A 47 8.285 0.688 -1.620 1.00 10.52 C ATOM 731 O VAL A 47 9.184 1.433 -1.226 1.00 42.02 O ATOM 732 CB VAL A 47 6.288 1.269 -0.176 1.00 62.45 C ATOM 733 CG1 VAL A 47 7.038 2.257 0.716 1.00 34.14 C ATOM 734 CG2 VAL A 47 5.642 1.984 -1.366 1.00 21.05 C ATOM 0 H VAL A 47 7.788 -0.105 1.354 1.00 31.11 H new ATOM 0 HA VAL A 47 6.627 -0.605 -1.214 1.00 73.44 H new ATOM 0 HB VAL A 47 5.495 0.822 0.423 1.00 62.45 H new ATOM 0 HG11 VAL A 47 6.358 3.046 1.037 1.00 34.14 H new ATOM 0 HG12 VAL A 47 7.427 1.735 1.590 1.00 34.14 H new ATOM 0 HG13 VAL A 47 7.865 2.696 0.158 1.00 34.14 H new ATOM 0 HG21 VAL A 47 4.994 2.782 -1.003 1.00 21.05 H new ATOM 0 HG22 VAL A 47 6.419 2.408 -2.001 1.00 21.05 H new ATOM 0 HG23 VAL A 47 5.052 1.271 -1.942 1.00 21.05 H new ATOM 744 N ARG A 48 8.188 0.290 -2.883 1.00 75.20 N ATOM 745 CA ARG A 48 9.021 0.851 -3.951 1.00 10.42 C ATOM 746 C ARG A 48 8.428 2.177 -4.447 1.00 10.41 C ATOM 747 O ARG A 48 9.044 3.237 -4.323 1.00 63.24 O ATOM 748 CB ARG A 48 9.121 -0.151 -5.114 1.00 0.23 C ATOM 749 CG ARG A 48 9.986 0.312 -6.286 1.00 34.45 C ATOM 750 CD ARG A 48 9.946 -0.692 -7.437 1.00 44.15 C ATOM 751 NE ARG A 48 10.779 -0.280 -8.567 1.00 24.44 N ATOM 752 CZ ARG A 48 10.588 -0.667 -9.802 1.00 13.15 C ATOM 753 NH1 ARG A 48 9.579 -1.415 -10.118 1.00 63.52 N ATOM 754 NH2 ARG A 48 11.409 -0.302 -10.727 1.00 0.34 N ATOM 0 H ARG A 48 7.535 -0.427 -3.199 1.00 75.20 H new ATOM 0 HA ARG A 48 10.019 1.042 -3.557 1.00 10.42 H new ATOM 0 HB2 ARG A 48 9.523 -1.090 -4.733 1.00 0.23 H new ATOM 0 HB3 ARG A 48 8.117 -0.360 -5.482 1.00 0.23 H new ATOM 0 HG2 ARG A 48 9.638 1.284 -6.636 1.00 34.45 H new ATOM 0 HG3 ARG A 48 11.015 0.444 -5.951 1.00 34.45 H new ATOM 0 HD2 ARG A 48 10.281 -1.665 -7.078 1.00 44.15 H new ATOM 0 HD3 ARG A 48 8.916 -0.814 -7.774 1.00 44.15 H new ATOM 0 HE ARG A 48 11.559 0.350 -8.380 1.00 24.44 H new ATOM 0 HH11 ARG A 48 8.919 -1.711 -9.399 1.00 63.52 H new ATOM 0 HH12 ARG A 48 9.445 -1.708 -11.086 1.00 63.52 H new ATOM 0 HH21 ARG A 48 12.208 0.289 -10.496 1.00 0.34 H new ATOM 0 HH22 ARG A 48 11.260 -0.604 -11.690 1.00 0.34 H new ATOM 768 N THR A 49 7.216 2.101 -5.001 1.00 33.22 N ATOM 769 CA THR A 49 6.513 3.272 -5.546 1.00 61.02 C ATOM 770 C THR A 49 4.997 3.183 -5.308 1.00 71.21 C ATOM 771 O THR A 49 4.425 2.092 -5.265 1.00 42.15 O ATOM 772 CB THR A 49 6.749 3.433 -7.071 1.00 64.11 C ATOM 773 OG1 THR A 49 6.379 2.227 -7.759 1.00 33.55 O ATOM 774 CG2 THR A 49 8.204 3.775 -7.382 1.00 25.34 C ATOM 0 H THR A 49 6.692 1.230 -5.086 1.00 33.22 H new ATOM 0 HA THR A 49 6.922 4.135 -5.020 1.00 61.02 H new ATOM 0 HB THR A 49 6.126 4.258 -7.416 1.00 64.11 H new ATOM 0 HG1 THR A 49 6.530 2.340 -8.721 1.00 33.55 H new ATOM 0 HG21 THR A 49 8.331 3.880 -8.460 1.00 25.34 H new ATOM 0 HG22 THR A 49 8.470 4.712 -6.892 1.00 25.34 H new ATOM 0 HG23 THR A 49 8.851 2.978 -7.016 1.00 25.34 H new ATOM 782 N VAL A 50 4.355 4.341 -5.150 1.00 23.44 N ATOM 783 CA VAL A 50 2.893 4.423 -5.014 1.00 11.42 C ATOM 784 C VAL A 50 2.285 5.193 -6.196 1.00 14.55 C ATOM 785 O VAL A 50 2.594 6.366 -6.411 1.00 40.45 O ATOM 786 CB VAL A 50 2.479 5.117 -3.690 1.00 75.13 C ATOM 787 CG1 VAL A 50 0.955 5.216 -3.579 1.00 41.41 C ATOM 788 CG2 VAL A 50 3.059 4.375 -2.485 1.00 63.04 C ATOM 0 H VAL A 50 4.826 5.245 -5.112 1.00 23.44 H new ATOM 0 HA VAL A 50 2.514 3.401 -5.004 1.00 11.42 H new ATOM 0 HB VAL A 50 2.886 6.128 -3.698 1.00 75.13 H new ATOM 0 HG11 VAL A 50 0.689 5.706 -2.642 1.00 41.41 H new ATOM 0 HG12 VAL A 50 0.566 5.797 -4.415 1.00 41.41 H new ATOM 0 HG13 VAL A 50 0.523 4.216 -3.600 1.00 41.41 H new ATOM 0 HG21 VAL A 50 2.756 4.879 -1.567 1.00 63.04 H new ATOM 0 HG22 VAL A 50 2.688 3.350 -2.476 1.00 63.04 H new ATOM 0 HG23 VAL A 50 4.147 4.366 -2.552 1.00 63.04 H new ATOM 798 N LYS A 51 1.423 4.531 -6.965 1.00 21.10 N ATOM 799 CA LYS A 51 0.808 5.151 -8.146 1.00 20.40 C ATOM 800 C LYS A 51 -0.711 4.962 -8.191 1.00 12.12 C ATOM 801 O LYS A 51 -1.218 3.845 -8.088 1.00 1.42 O ATOM 802 CB LYS A 51 1.418 4.578 -9.433 1.00 62.33 C ATOM 803 CG LYS A 51 2.857 5.009 -9.691 1.00 74.30 C ATOM 804 CD LYS A 51 3.395 4.408 -10.985 1.00 64.32 C ATOM 805 CE LYS A 51 4.605 5.172 -11.503 1.00 35.41 C ATOM 806 NZ LYS A 51 4.265 6.584 -11.827 1.00 13.10 N ATOM 0 H LYS A 51 1.133 3.568 -6.796 1.00 21.10 H new ATOM 0 HA LYS A 51 1.012 6.219 -8.072 1.00 20.40 H new ATOM 0 HB2 LYS A 51 1.380 3.490 -9.386 1.00 62.33 H new ATOM 0 HB3 LYS A 51 0.803 4.882 -10.280 1.00 62.33 H new ATOM 0 HG2 LYS A 51 2.909 6.096 -9.744 1.00 74.30 H new ATOM 0 HG3 LYS A 51 3.486 4.701 -8.856 1.00 74.30 H new ATOM 0 HD2 LYS A 51 3.668 3.366 -10.816 1.00 64.32 H new ATOM 0 HD3 LYS A 51 2.611 4.413 -11.742 1.00 64.32 H new ATOM 0 HE2 LYS A 51 5.397 5.151 -10.754 1.00 35.41 H new ATOM 0 HE3 LYS A 51 4.994 4.678 -12.393 1.00 35.41 H new ATOM 0 HZ1 LYS A 51 4.931 6.947 -12.539 1.00 13.10 H new ATOM 0 HZ2 LYS A 51 3.297 6.630 -12.204 1.00 13.10 H new ATOM 0 HZ3 LYS A 51 4.329 7.163 -10.966 1.00 13.10 H new ATOM 820 N ASP A 52 -1.432 6.067 -8.356 1.00 65.42 N ATOM 821 CA ASP A 52 -2.866 6.015 -8.633 1.00 51.13 C ATOM 822 C ASP A 52 -3.085 5.624 -10.099 1.00 51.21 C ATOM 823 O ASP A 52 -2.459 6.193 -10.996 1.00 41.44 O ATOM 824 CB ASP A 52 -3.524 7.375 -8.361 1.00 24.41 C ATOM 825 CG ASP A 52 -3.201 7.925 -6.984 1.00 63.04 C ATOM 826 OD1 ASP A 52 -3.701 7.374 -5.985 1.00 12.40 O ATOM 827 OD2 ASP A 52 -2.453 8.925 -6.897 1.00 54.31 O ATOM 0 H ASP A 52 -1.048 7.010 -8.303 1.00 65.42 H new ATOM 0 HA ASP A 52 -3.322 5.273 -7.977 1.00 51.13 H new ATOM 0 HB2 ASP A 52 -3.197 8.089 -9.117 1.00 24.41 H new ATOM 0 HB3 ASP A 52 -4.605 7.276 -8.462 1.00 24.41 H new ATOM 832 N LEU A 53 -3.953 4.650 -10.346 1.00 53.21 N ATOM 833 CA LEU A 53 -4.256 4.233 -11.720 1.00 34.22 C ATOM 834 C LEU A 53 -4.983 5.349 -12.482 1.00 74.42 C ATOM 835 O LEU A 53 -4.928 5.417 -13.710 1.00 52.34 O ATOM 836 CB LEU A 53 -5.080 2.939 -11.721 1.00 62.42 C ATOM 837 CG LEU A 53 -4.359 1.717 -11.119 1.00 72.21 C ATOM 838 CD1 LEU A 53 -5.252 0.481 -11.160 1.00 12.23 C ATOM 839 CD2 LEU A 53 -3.040 1.458 -11.849 1.00 33.44 C ATOM 0 H LEU A 53 -4.458 4.135 -9.624 1.00 53.21 H new ATOM 0 HA LEU A 53 -3.315 4.037 -12.234 1.00 34.22 H new ATOM 0 HB2 LEU A 53 -6.002 3.111 -11.165 1.00 62.42 H new ATOM 0 HB3 LEU A 53 -5.365 2.707 -12.747 1.00 62.42 H new ATOM 0 HG LEU A 53 -4.136 1.935 -10.075 1.00 72.21 H new ATOM 0 HD11 LEU A 53 -4.720 -0.367 -10.729 1.00 12.23 H new ATOM 0 HD12 LEU A 53 -6.160 0.669 -10.586 1.00 12.23 H new ATOM 0 HD13 LEU A 53 -5.516 0.257 -12.194 1.00 12.23 H new ATOM 0 HD21 LEU A 53 -2.545 0.592 -11.410 1.00 33.44 H new ATOM 0 HD22 LEU A 53 -3.239 1.267 -12.903 1.00 33.44 H new ATOM 0 HD23 LEU A 53 -2.394 2.331 -11.754 1.00 33.44 H new ATOM 851 N LEU A 54 -5.660 6.221 -11.739 1.00 31.33 N ATOM 852 CA LEU A 54 -6.264 7.428 -12.307 1.00 34.43 C ATOM 853 C LEU A 54 -5.298 8.614 -12.170 1.00 1.35 C ATOM 854 O LEU A 54 -5.374 9.391 -11.215 1.00 0.43 O ATOM 855 CB LEU A 54 -7.593 7.744 -11.604 1.00 54.15 C ATOM 856 CG LEU A 54 -8.649 6.627 -11.650 1.00 12.32 C ATOM 857 CD1 LEU A 54 -9.891 7.024 -10.855 1.00 61.32 C ATOM 858 CD2 LEU A 54 -9.019 6.290 -13.094 1.00 2.35 C ATOM 0 H LEU A 54 -5.806 6.115 -10.735 1.00 31.33 H new ATOM 0 HA LEU A 54 -6.464 7.254 -13.364 1.00 34.43 H new ATOM 0 HB2 LEU A 54 -7.385 7.980 -10.560 1.00 54.15 H new ATOM 0 HB3 LEU A 54 -8.018 8.641 -12.055 1.00 54.15 H new ATOM 0 HG LEU A 54 -8.220 5.736 -11.191 1.00 12.32 H new ATOM 0 HD11 LEU A 54 -10.625 6.219 -10.901 1.00 61.32 H new ATOM 0 HD12 LEU A 54 -9.616 7.205 -9.816 1.00 61.32 H new ATOM 0 HD13 LEU A 54 -10.320 7.931 -11.280 1.00 61.32 H new ATOM 0 HD21 LEU A 54 -9.767 5.497 -13.102 1.00 2.35 H new ATOM 0 HD22 LEU A 54 -9.424 7.176 -13.582 1.00 2.35 H new ATOM 0 HD23 LEU A 54 -8.130 5.955 -13.629 1.00 2.35 H new ATOM 870 N GLU A 55 -4.369 8.724 -13.116 1.00 32.33 N ATOM 871 CA GLU A 55 -3.310 9.747 -13.063 1.00 12.10 C ATOM 872 C GLU A 55 -3.493 10.850 -14.133 1.00 24.40 C ATOM 873 O GLU A 55 -4.366 11.726 -13.944 1.00 37.72 O ATOM 874 CB GLU A 55 -1.922 9.068 -13.176 1.00 11.54 C ATOM 875 CG GLU A 55 -1.921 7.705 -13.882 1.00 31.42 C ATOM 876 CD GLU A 55 -2.267 7.772 -15.364 1.00 43.12 C ATOM 877 OE1 GLU A 55 -1.338 7.928 -16.189 1.00 62.11 O ATOM 878 OE2 GLU A 55 -3.464 7.651 -15.712 1.00 62.25 O ATOM 0 H GLU A 55 -4.322 8.118 -13.935 1.00 32.33 H new ATOM 0 HA GLU A 55 -3.381 10.252 -12.100 1.00 12.10 H new ATOM 0 HB2 GLU A 55 -1.249 9.738 -13.711 1.00 11.54 H new ATOM 0 HB3 GLU A 55 -1.514 8.941 -12.173 1.00 11.54 H new ATOM 0 HG2 GLU A 55 -0.937 7.251 -13.770 1.00 31.42 H new ATOM 0 HG3 GLU A 55 -2.634 7.049 -13.383 1.00 31.42 H new TER 885 GLU A 55