USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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: B 16 SER OG : rot 180:sc= 0.0572 USER MOD Set 1.2: B 19 THR OG1 : rot -150:sc= -0.377 USER MOD Single : A 5 THR OG1 : rot -19:sc= 1.15 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -122:sc= 1.2 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.6) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 40:sc= 0.291 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.24 (180deg=1.21) USER MOD Single : A 42 MET CE :methyl 150:sc= -2.27 (180deg=-4.77!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : B 5 THR OG1 : rot 32:sc= 1.82 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 TYR OH : rot 30:sc= -0.0847 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -1.4 K(o=-1.4,f=-6.3!) USER MOD Single : B 21 SER OG : rot 174:sc= -0.245! USER MOD Single : B 37 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.14) USER MOD Single : B 42 MET CE :methyl 151:sc= -1.98 (180deg=-4.65!) USER MOD ----------------------------------------------------------------- ATOM 72 N THR A 5 -7.780 2.149 -11.164 1.00 3.14 N ATOM 73 CA THR A 5 -7.650 2.238 -9.731 1.00 3.01 C ATOM 74 C THR A 5 -8.998 1.867 -9.180 1.00 2.85 C ATOM 75 O THR A 5 -9.980 1.871 -9.922 1.00 2.89 O ATOM 76 CB THR A 5 -7.266 3.649 -9.242 1.00 3.29 C ATOM 77 OG1 THR A 5 -8.188 4.624 -9.744 1.00 3.55 O ATOM 78 CG2 THR A 5 -5.853 4.003 -9.664 1.00 3.52 C ATOM 0 HA THR A 5 -6.849 1.580 -9.394 1.00 3.01 H new ATOM 0 HB THR A 5 -7.311 3.650 -8.153 1.00 3.29 H new ATOM 0 HG1 THR A 5 -8.674 4.251 -10.509 1.00 3.55 H new ATOM 0 HG21 THR A 5 -5.606 5.003 -9.307 1.00 3.52 H new ATOM 0 HG22 THR A 5 -5.155 3.283 -9.237 1.00 3.52 H new ATOM 0 HG23 THR A 5 -5.781 3.978 -10.751 1.00 3.52 H new ATOM 86 N LEU A 6 -9.080 1.520 -7.921 1.00 2.72 N ATOM 87 CA LEU A 6 -10.372 1.167 -7.369 1.00 2.62 C ATOM 88 C LEU A 6 -11.343 2.339 -7.484 1.00 2.85 C ATOM 89 O LEU A 6 -12.558 2.159 -7.491 1.00 2.79 O ATOM 90 CB LEU A 6 -10.240 0.676 -5.946 1.00 2.55 C ATOM 91 CG LEU A 6 -10.615 -0.781 -5.757 1.00 2.31 C ATOM 92 CD1 LEU A 6 -10.719 -1.120 -4.281 1.00 2.37 C ATOM 93 CD2 LEU A 6 -11.917 -1.094 -6.481 1.00 2.25 C ATOM 0 H LEU A 6 -8.295 1.473 -7.271 1.00 2.72 H new ATOM 0 HA LEU A 6 -10.784 0.343 -7.952 1.00 2.62 H new ATOM 0 HB2 LEU A 6 -9.211 0.821 -5.617 1.00 2.55 H new ATOM 0 HB3 LEU A 6 -10.870 1.289 -5.301 1.00 2.55 H new ATOM 0 HG LEU A 6 -9.829 -1.399 -6.190 1.00 2.31 H new ATOM 0 HD11 LEU A 6 -10.989 -2.170 -4.167 1.00 2.37 H new ATOM 0 HD12 LEU A 6 -9.759 -0.937 -3.797 1.00 2.37 H new ATOM 0 HD13 LEU A 6 -11.483 -0.496 -3.817 1.00 2.37 H new ATOM 0 HD21 LEU A 6 -12.171 -2.144 -6.335 1.00 2.25 H new ATOM 0 HD22 LEU A 6 -12.715 -0.468 -6.081 1.00 2.25 H new ATOM 0 HD23 LEU A 6 -11.798 -0.894 -7.546 1.00 2.25 H new ATOM 105 N TYR A 7 -10.779 3.534 -7.592 1.00 3.13 N ATOM 106 CA TYR A 7 -11.559 4.761 -7.748 1.00 3.41 C ATOM 107 C TYR A 7 -12.304 4.748 -9.081 1.00 3.42 C ATOM 108 O TYR A 7 -13.439 5.208 -9.187 1.00 3.50 O ATOM 109 CB TYR A 7 -10.652 5.993 -7.700 1.00 3.74 C ATOM 110 CG TYR A 7 -10.098 6.308 -6.335 1.00 3.86 C ATOM 111 CD1 TYR A 7 -10.919 6.781 -5.320 1.00 3.98 C ATOM 112 CD2 TYR A 7 -8.748 6.140 -6.066 1.00 3.89 C ATOM 113 CE1 TYR A 7 -10.405 7.078 -4.071 1.00 4.16 C ATOM 114 CE2 TYR A 7 -8.227 6.434 -4.824 1.00 4.04 C ATOM 115 CZ TYR A 7 -9.058 6.904 -3.829 1.00 4.20 C ATOM 116 OH TYR A 7 -8.540 7.195 -2.589 1.00 4.39 O ATOM 0 H TYR A 7 -9.770 3.684 -7.574 1.00 3.13 H new ATOM 0 HA TYR A 7 -12.273 4.809 -6.926 1.00 3.41 H new ATOM 0 HB2 TYR A 7 -9.821 5.844 -8.390 1.00 3.74 H new ATOM 0 HB3 TYR A 7 -11.213 6.856 -8.058 1.00 3.74 H new ATOM 0 HD1 TYR A 7 -11.973 6.919 -5.509 1.00 3.98 H new ATOM 0 HD2 TYR A 7 -8.094 5.773 -6.843 1.00 3.89 H new ATOM 0 HE1 TYR A 7 -11.054 7.444 -3.290 1.00 4.16 H new ATOM 0 HE2 TYR A 7 -7.173 6.297 -4.631 1.00 4.04 H new ATOM 0 HH TYR A 7 -7.576 7.016 -2.587 1.00 4.39 H new ATOM 126 N ASP A 8 -11.633 4.198 -10.084 1.00 3.37 N ATOM 127 CA ASP A 8 -12.151 4.105 -11.446 1.00 3.45 C ATOM 128 C ASP A 8 -13.349 3.190 -11.484 1.00 3.21 C ATOM 129 O ASP A 8 -14.374 3.512 -12.083 1.00 3.31 O ATOM 130 CB ASP A 8 -11.064 3.586 -12.392 1.00 3.49 C ATOM 131 CG ASP A 8 -10.018 4.630 -12.722 1.00 3.79 C ATOM 132 OD1 ASP A 8 -10.343 5.603 -13.438 1.00 4.13 O ATOM 133 OD2 ASP A 8 -8.861 4.467 -12.269 1.00 3.72 O ATOM 0 H ASP A 8 -10.701 3.798 -9.975 1.00 3.37 H new ATOM 0 HA ASP A 8 -12.455 5.099 -11.773 1.00 3.45 H new ATOM 0 HB2 ASP A 8 -10.577 2.723 -11.938 1.00 3.49 H new ATOM 0 HB3 ASP A 8 -11.529 3.241 -13.316 1.00 3.49 H new ATOM 138 N VAL A 9 -13.221 2.053 -10.817 1.00 2.91 N ATOM 139 CA VAL A 9 -14.286 1.085 -10.769 1.00 2.70 C ATOM 140 C VAL A 9 -15.438 1.667 -9.985 1.00 2.72 C ATOM 141 O VAL A 9 -16.598 1.516 -10.340 1.00 2.70 O ATOM 142 CB VAL A 9 -13.811 -0.215 -10.110 1.00 2.43 C ATOM 143 CG1 VAL A 9 -14.954 -1.188 -9.960 1.00 2.28 C ATOM 144 CG2 VAL A 9 -12.686 -0.841 -10.913 1.00 2.45 C ATOM 0 H VAL A 9 -12.383 1.785 -10.302 1.00 2.91 H new ATOM 0 HA VAL A 9 -14.604 0.852 -11.785 1.00 2.70 H new ATOM 0 HB VAL A 9 -13.434 0.027 -9.116 1.00 2.43 H new ATOM 0 HG11 VAL A 9 -14.594 -2.103 -9.490 1.00 2.28 H new ATOM 0 HG12 VAL A 9 -15.731 -0.743 -9.339 1.00 2.28 H new ATOM 0 HG13 VAL A 9 -15.364 -1.422 -10.942 1.00 2.28 H new ATOM 0 HG21 VAL A 9 -12.363 -1.763 -10.429 1.00 2.45 H new ATOM 0 HG22 VAL A 9 -13.038 -1.064 -11.920 1.00 2.45 H new ATOM 0 HG23 VAL A 9 -11.848 -0.146 -10.968 1.00 2.45 H new ATOM 154 N ALA A 10 -15.079 2.358 -8.925 1.00 2.80 N ATOM 155 CA ALA A 10 -16.045 3.000 -8.048 1.00 2.91 C ATOM 156 C ALA A 10 -16.889 4.011 -8.811 1.00 3.14 C ATOM 157 O ALA A 10 -18.121 3.992 -8.745 1.00 3.12 O ATOM 158 CB ALA A 10 -15.296 3.667 -6.907 1.00 3.09 C ATOM 0 H ALA A 10 -14.108 2.493 -8.643 1.00 2.80 H new ATOM 0 HA ALA A 10 -16.728 2.250 -7.648 1.00 2.91 H new ATOM 0 HB1 ALA A 10 -16.008 4.153 -6.240 1.00 3.09 H new ATOM 0 HB2 ALA A 10 -14.734 2.916 -6.352 1.00 3.09 H new ATOM 0 HB3 ALA A 10 -14.608 4.411 -7.309 1.00 3.09 H new ATOM 164 N GLU A 11 -16.219 4.851 -9.573 1.00 3.37 N ATOM 165 CA GLU A 11 -16.881 5.880 -10.353 1.00 3.64 C ATOM 166 C GLU A 11 -17.739 5.234 -11.424 1.00 3.52 C ATOM 167 O GLU A 11 -18.917 5.555 -11.583 1.00 3.57 O ATOM 168 CB GLU A 11 -15.842 6.802 -10.994 1.00 3.95 C ATOM 169 CG GLU A 11 -16.206 8.274 -10.940 1.00 4.31 C ATOM 170 CD GLU A 11 -17.356 8.633 -11.861 1.00 4.89 C ATOM 171 OE1 GLU A 11 -17.219 8.468 -13.093 1.00 5.24 O ATOM 172 OE2 GLU A 11 -18.402 9.091 -11.360 1.00 5.23 O ATOM 0 H GLU A 11 -15.204 4.841 -9.670 1.00 3.37 H new ATOM 0 HA GLU A 11 -17.517 6.474 -9.697 1.00 3.64 H new ATOM 0 HB2 GLU A 11 -14.884 6.657 -10.494 1.00 3.95 H new ATOM 0 HB3 GLU A 11 -15.705 6.510 -12.035 1.00 3.95 H new ATOM 0 HG2 GLU A 11 -16.470 8.540 -9.917 1.00 4.31 H new ATOM 0 HG3 GLU A 11 -15.333 8.869 -11.209 1.00 4.31 H new ATOM 179 N TYR A 12 -17.124 4.322 -12.151 1.00 3.40 N ATOM 180 CA TYR A 12 -17.783 3.601 -13.221 1.00 3.35 C ATOM 181 C TYR A 12 -18.966 2.778 -12.704 1.00 3.08 C ATOM 182 O TYR A 12 -19.927 2.536 -13.436 1.00 3.11 O ATOM 183 CB TYR A 12 -16.764 2.695 -13.898 1.00 3.31 C ATOM 184 CG TYR A 12 -17.267 2.023 -15.142 1.00 3.39 C ATOM 185 CD1 TYR A 12 -17.587 2.751 -16.276 1.00 3.70 C ATOM 186 CD2 TYR A 12 -17.401 0.651 -15.179 1.00 3.19 C ATOM 187 CE1 TYR A 12 -18.035 2.122 -17.418 1.00 3.82 C ATOM 188 CE2 TYR A 12 -17.844 0.007 -16.312 1.00 3.34 C ATOM 189 CZ TYR A 12 -18.162 0.750 -17.434 1.00 3.64 C ATOM 190 OH TYR A 12 -18.603 0.125 -18.573 1.00 3.82 O ATOM 0 H TYR A 12 -16.148 4.059 -12.015 1.00 3.40 H new ATOM 0 HA TYR A 12 -18.181 4.320 -13.936 1.00 3.35 H new ATOM 0 HB2 TYR A 12 -15.881 3.284 -14.148 1.00 3.31 H new ATOM 0 HB3 TYR A 12 -16.447 1.931 -13.189 1.00 3.31 H new ATOM 0 HD1 TYR A 12 -17.484 3.826 -16.265 1.00 3.70 H new ATOM 0 HD2 TYR A 12 -17.154 0.071 -14.302 1.00 3.19 H new ATOM 0 HE1 TYR A 12 -18.285 2.701 -18.295 1.00 3.82 H new ATOM 0 HE2 TYR A 12 -17.942 -1.068 -16.325 1.00 3.34 H new ATOM 0 HH TYR A 12 -19.406 -0.398 -18.369 1.00 3.82 H new ATOM 200 N ALA A 13 -18.907 2.359 -11.443 1.00 2.87 N ATOM 201 CA ALA A 13 -19.989 1.568 -10.866 1.00 2.66 C ATOM 202 C ALA A 13 -21.080 2.496 -10.362 1.00 2.78 C ATOM 203 O ALA A 13 -22.256 2.134 -10.280 1.00 2.70 O ATOM 204 CB ALA A 13 -19.480 0.733 -9.717 1.00 2.47 C ATOM 0 H ALA A 13 -18.132 2.551 -10.808 1.00 2.87 H new ATOM 0 HA ALA A 13 -20.386 0.906 -11.636 1.00 2.66 H new ATOM 0 HB1 ALA A 13 -20.301 0.150 -9.299 1.00 2.47 H new ATOM 0 HB2 ALA A 13 -18.701 0.059 -10.074 1.00 2.47 H new ATOM 0 HB3 ALA A 13 -19.070 1.386 -8.947 1.00 2.47 H new ATOM 210 N GLY A 14 -20.659 3.698 -10.010 1.00 3.02 N ATOM 211 CA GLY A 14 -21.572 4.701 -9.524 1.00 3.22 C ATOM 212 C GLY A 14 -21.739 4.594 -8.038 1.00 3.21 C ATOM 213 O GLY A 14 -22.826 4.801 -7.495 1.00 3.28 O ATOM 0 H GLY A 14 -19.685 3.998 -10.054 1.00 3.02 H new ATOM 0 HA2 GLY A 14 -21.201 5.693 -9.782 1.00 3.22 H new ATOM 0 HA3 GLY A 14 -22.540 4.586 -10.012 1.00 3.22 H new ATOM 217 N VAL A 15 -20.646 4.233 -7.395 1.00 3.16 N ATOM 218 CA VAL A 15 -20.605 4.040 -5.958 1.00 3.22 C ATOM 219 C VAL A 15 -19.318 4.596 -5.389 1.00 3.39 C ATOM 220 O VAL A 15 -18.296 4.604 -6.068 1.00 3.33 O ATOM 221 CB VAL A 15 -20.706 2.558 -5.602 1.00 2.96 C ATOM 222 CG1 VAL A 15 -22.113 2.057 -5.803 1.00 2.89 C ATOM 223 CG2 VAL A 15 -19.749 1.777 -6.458 1.00 2.72 C ATOM 0 H VAL A 15 -19.753 4.064 -7.859 1.00 3.16 H new ATOM 0 HA VAL A 15 -21.456 4.569 -5.529 1.00 3.22 H new ATOM 0 HB VAL A 15 -20.447 2.425 -4.552 1.00 2.96 H new ATOM 0 HG11 VAL A 15 -22.163 0.999 -5.544 1.00 2.89 H new ATOM 0 HG12 VAL A 15 -22.794 2.620 -5.165 1.00 2.89 H new ATOM 0 HG13 VAL A 15 -22.401 2.189 -6.846 1.00 2.89 H new ATOM 0 HG21 VAL A 15 -19.817 0.718 -6.207 1.00 2.72 H new ATOM 0 HG22 VAL A 15 -20.002 1.918 -7.509 1.00 2.72 H new ATOM 0 HG23 VAL A 15 -18.732 2.127 -6.279 1.00 2.72 H new ATOM 233 N SER A 16 -19.371 5.104 -4.175 1.00 3.63 N ATOM 234 CA SER A 16 -18.179 5.643 -3.549 1.00 3.82 C ATOM 235 C SER A 16 -17.083 4.591 -3.515 1.00 3.58 C ATOM 236 O SER A 16 -17.345 3.386 -3.483 1.00 3.34 O ATOM 237 CB SER A 16 -18.469 6.151 -2.143 1.00 4.13 C ATOM 238 OG SER A 16 -19.512 7.107 -2.158 1.00 4.34 O ATOM 0 H SER A 16 -20.216 5.156 -3.606 1.00 3.63 H new ATOM 0 HA SER A 16 -17.841 6.491 -4.145 1.00 3.82 H new ATOM 0 HB2 SER A 16 -18.745 5.316 -1.500 1.00 4.13 H new ATOM 0 HB3 SER A 16 -17.568 6.596 -1.719 1.00 4.13 H new ATOM 0 HG SER A 16 -19.683 7.419 -1.245 1.00 4.34 H new ATOM 244 N TYR A 17 -15.867 5.066 -3.527 1.00 3.68 N ATOM 245 CA TYR A 17 -14.690 4.217 -3.504 1.00 3.49 C ATOM 246 C TYR A 17 -14.718 3.234 -2.351 1.00 3.42 C ATOM 247 O TYR A 17 -14.549 2.030 -2.537 1.00 3.16 O ATOM 248 CB TYR A 17 -13.479 5.100 -3.339 1.00 3.71 C ATOM 249 CG TYR A 17 -12.229 4.311 -3.155 1.00 3.56 C ATOM 250 CD1 TYR A 17 -11.595 3.780 -4.251 1.00 3.31 C ATOM 251 CD2 TYR A 17 -11.689 4.088 -1.895 1.00 3.69 C ATOM 252 CE1 TYR A 17 -10.453 3.057 -4.121 1.00 3.18 C ATOM 253 CE2 TYR A 17 -10.534 3.353 -1.751 1.00 3.55 C ATOM 254 CZ TYR A 17 -9.914 2.840 -2.871 1.00 3.28 C ATOM 255 OH TYR A 17 -8.758 2.111 -2.743 1.00 3.16 O ATOM 0 H TYR A 17 -15.655 6.063 -3.553 1.00 3.68 H new ATOM 0 HA TYR A 17 -14.661 3.649 -4.434 1.00 3.49 H new ATOM 0 HB2 TYR A 17 -13.377 5.741 -4.215 1.00 3.71 H new ATOM 0 HB3 TYR A 17 -13.623 5.755 -2.480 1.00 3.71 H new ATOM 0 HD1 TYR A 17 -12.012 3.940 -5.234 1.00 3.31 H new ATOM 0 HD2 TYR A 17 -12.179 4.494 -1.022 1.00 3.69 H new ATOM 0 HE1 TYR A 17 -9.967 2.652 -4.997 1.00 3.18 H new ATOM 0 HE2 TYR A 17 -10.117 3.180 -0.770 1.00 3.55 H new ATOM 0 HH TYR A 17 -8.512 2.052 -1.796 1.00 3.16 H new ATOM 265 N GLN A 18 -14.955 3.769 -1.169 1.00 3.70 N ATOM 266 CA GLN A 18 -14.974 2.977 0.051 1.00 3.76 C ATOM 267 C GLN A 18 -16.058 1.895 -0.004 1.00 3.60 C ATOM 268 O GLN A 18 -15.993 0.898 0.718 1.00 3.59 O ATOM 269 CB GLN A 18 -15.163 3.883 1.272 1.00 4.16 C ATOM 270 CG GLN A 18 -14.501 5.256 1.159 1.00 4.57 C ATOM 271 CD GLN A 18 -12.985 5.183 1.133 1.00 5.01 C ATOM 272 OE1 GLN A 18 -12.387 4.273 1.699 1.00 5.50 O ATOM 273 NE2 GLN A 18 -12.354 6.146 0.479 1.00 5.22 N ATOM 0 H GLN A 18 -15.140 4.762 -1.025 1.00 3.70 H new ATOM 0 HA GLN A 18 -14.013 2.472 0.142 1.00 3.76 H new ATOM 0 HB2 GLN A 18 -16.231 4.023 1.442 1.00 4.16 H new ATOM 0 HB3 GLN A 18 -14.765 3.374 2.150 1.00 4.16 H new ATOM 0 HG2 GLN A 18 -14.851 5.749 0.252 1.00 4.57 H new ATOM 0 HG3 GLN A 18 -14.815 5.875 1.999 1.00 4.57 H new ATOM 0 HE21 GLN A 18 -12.887 6.885 0.021 1.00 5.22 H new ATOM 0 HE22 GLN A 18 -11.335 6.148 0.433 1.00 5.22 H new ATOM 282 N THR A 19 -17.049 2.096 -0.866 1.00 3.52 N ATOM 283 CA THR A 19 -18.125 1.141 -1.039 1.00 3.39 C ATOM 284 C THR A 19 -17.613 -0.118 -1.723 1.00 3.07 C ATOM 285 O THR A 19 -17.614 -1.198 -1.136 1.00 3.08 O ATOM 286 CB THR A 19 -19.249 1.764 -1.889 1.00 3.36 C ATOM 287 OG1 THR A 19 -19.484 3.101 -1.438 1.00 3.65 O ATOM 288 CG2 THR A 19 -20.531 0.957 -1.807 1.00 3.31 C ATOM 0 H THR A 19 -17.124 2.922 -1.459 1.00 3.52 H new ATOM 0 HA THR A 19 -18.515 0.878 -0.056 1.00 3.39 H new ATOM 0 HB THR A 19 -18.932 1.766 -2.932 1.00 3.36 H new ATOM 0 HG1 THR A 19 -20.197 3.507 -1.974 1.00 3.65 H new ATOM 0 HG21 THR A 19 -21.298 1.430 -2.420 1.00 3.31 H new ATOM 0 HG22 THR A 19 -20.348 -0.054 -2.170 1.00 3.31 H new ATOM 0 HG23 THR A 19 -20.869 0.915 -0.772 1.00 3.31 H new ATOM 296 N VAL A 20 -17.136 0.042 -2.948 1.00 2.85 N ATOM 297 CA VAL A 20 -16.631 -1.076 -3.730 1.00 2.58 C ATOM 298 C VAL A 20 -15.325 -1.621 -3.161 1.00 2.57 C ATOM 299 O VAL A 20 -15.032 -2.809 -3.294 1.00 2.46 O ATOM 300 CB VAL A 20 -16.511 -0.715 -5.232 1.00 2.42 C ATOM 301 CG1 VAL A 20 -16.919 0.720 -5.479 1.00 2.61 C ATOM 302 CG2 VAL A 20 -15.128 -0.939 -5.802 1.00 2.31 C ATOM 0 H VAL A 20 -17.088 0.942 -3.425 1.00 2.85 H new ATOM 0 HA VAL A 20 -17.363 -1.880 -3.657 1.00 2.58 H new ATOM 0 HB VAL A 20 -17.190 -1.395 -5.746 1.00 2.42 H new ATOM 0 HG11 VAL A 20 -16.825 0.947 -6.541 1.00 2.61 H new ATOM 0 HG12 VAL A 20 -17.954 0.863 -5.167 1.00 2.61 H new ATOM 0 HG13 VAL A 20 -16.272 1.386 -4.907 1.00 2.61 H new ATOM 0 HG21 VAL A 20 -15.120 -0.665 -6.857 1.00 2.31 H new ATOM 0 HG22 VAL A 20 -14.408 -0.324 -5.262 1.00 2.31 H new ATOM 0 HG23 VAL A 20 -14.858 -1.990 -5.698 1.00 2.31 H new ATOM 312 N SER A 21 -14.547 -0.756 -2.532 1.00 2.73 N ATOM 313 CA SER A 21 -13.294 -1.172 -1.915 1.00 2.74 C ATOM 314 C SER A 21 -13.574 -2.258 -0.878 1.00 2.85 C ATOM 315 O SER A 21 -12.896 -3.287 -0.833 1.00 2.78 O ATOM 316 CB SER A 21 -12.591 0.024 -1.261 1.00 2.97 C ATOM 317 OG SER A 21 -11.322 -0.338 -0.742 1.00 3.19 O ATOM 0 H SER A 21 -14.758 0.237 -2.434 1.00 2.73 H new ATOM 0 HA SER A 21 -12.634 -1.572 -2.685 1.00 2.74 H new ATOM 0 HB2 SER A 21 -12.471 0.822 -1.994 1.00 2.97 H new ATOM 0 HB3 SER A 21 -13.214 0.419 -0.459 1.00 2.97 H new ATOM 0 HG SER A 21 -10.900 0.446 -0.334 1.00 3.19 H new ATOM 323 N ARG A 22 -14.606 -2.034 -0.068 1.00 3.06 N ATOM 324 CA ARG A 22 -14.994 -2.982 0.955 1.00 3.25 C ATOM 325 C ARG A 22 -15.615 -4.203 0.293 1.00 3.12 C ATOM 326 O ARG A 22 -15.570 -5.306 0.827 1.00 3.25 O ATOM 327 CB ARG A 22 -15.964 -2.322 1.952 1.00 3.54 C ATOM 328 CG ARG A 22 -17.292 -3.045 2.114 1.00 3.73 C ATOM 329 CD ARG A 22 -18.456 -2.196 1.632 1.00 3.83 C ATOM 330 NE ARG A 22 -18.760 -1.100 2.550 1.00 3.92 N ATOM 331 CZ ARG A 22 -19.996 -0.739 2.893 1.00 4.17 C ATOM 332 NH1 ARG A 22 -21.041 -1.352 2.354 1.00 4.31 N ATOM 333 NH2 ARG A 22 -20.189 0.245 3.759 1.00 4.44 N ATOM 0 H ARG A 22 -15.187 -1.197 -0.107 1.00 3.06 H new ATOM 0 HA ARG A 22 -14.117 -3.302 1.518 1.00 3.25 H new ATOM 0 HB2 ARG A 22 -15.478 -2.260 2.925 1.00 3.54 H new ATOM 0 HB3 ARG A 22 -16.159 -1.300 1.627 1.00 3.54 H new ATOM 0 HG2 ARG A 22 -17.268 -3.980 1.555 1.00 3.73 H new ATOM 0 HG3 ARG A 22 -17.440 -3.304 3.162 1.00 3.73 H new ATOM 0 HD2 ARG A 22 -18.223 -1.789 0.648 1.00 3.83 H new ATOM 0 HD3 ARG A 22 -19.338 -2.825 1.516 1.00 3.83 H new ATOM 0 HE ARG A 22 -17.980 -0.581 2.952 1.00 3.92 H new ATOM 0 HH11 ARG A 22 -20.899 -2.101 1.676 1.00 4.31 H new ATOM 0 HH12 ARG A 22 -21.987 -1.075 2.617 1.00 4.31 H new ATOM 0 HH21 ARG A 22 -19.389 0.730 4.166 1.00 4.44 H new ATOM 0 HH22 ARG A 22 -21.137 0.518 4.018 1.00 4.44 H new ATOM 347 N VAL A 23 -16.178 -3.980 -0.891 1.00 2.91 N ATOM 348 CA VAL A 23 -16.821 -5.026 -1.662 1.00 2.82 C ATOM 349 C VAL A 23 -15.791 -6.050 -2.113 1.00 2.72 C ATOM 350 O VAL A 23 -15.953 -7.250 -1.905 1.00 2.86 O ATOM 351 CB VAL A 23 -17.538 -4.437 -2.901 1.00 2.62 C ATOM 352 CG1 VAL A 23 -17.945 -5.527 -3.869 1.00 2.56 C ATOM 353 CG2 VAL A 23 -18.750 -3.606 -2.499 1.00 2.76 C ATOM 0 H VAL A 23 -16.198 -3.064 -1.339 1.00 2.91 H new ATOM 0 HA VAL A 23 -17.562 -5.509 -1.025 1.00 2.82 H new ATOM 0 HB VAL A 23 -16.827 -3.781 -3.403 1.00 2.62 H new ATOM 0 HG11 VAL A 23 -18.446 -5.082 -4.729 1.00 2.56 H new ATOM 0 HG12 VAL A 23 -17.059 -6.065 -4.204 1.00 2.56 H new ATOM 0 HG13 VAL A 23 -18.624 -6.220 -3.372 1.00 2.56 H new ATOM 0 HG21 VAL A 23 -19.230 -3.207 -3.393 1.00 2.76 H new ATOM 0 HG22 VAL A 23 -19.457 -4.233 -1.956 1.00 2.76 H new ATOM 0 HG23 VAL A 23 -18.431 -2.782 -1.860 1.00 2.76 H new ATOM 363 N VAL A 24 -14.716 -5.546 -2.701 1.00 2.54 N ATOM 364 CA VAL A 24 -13.632 -6.380 -3.195 1.00 2.46 C ATOM 365 C VAL A 24 -12.931 -7.119 -2.051 1.00 2.68 C ATOM 366 O VAL A 24 -12.254 -8.123 -2.270 1.00 2.72 O ATOM 367 CB VAL A 24 -12.624 -5.520 -4.014 1.00 2.28 C ATOM 368 CG1 VAL A 24 -11.215 -5.569 -3.439 1.00 2.42 C ATOM 369 CG2 VAL A 24 -12.620 -5.951 -5.477 1.00 2.15 C ATOM 0 H VAL A 24 -14.571 -4.547 -2.849 1.00 2.54 H new ATOM 0 HA VAL A 24 -14.055 -7.137 -3.855 1.00 2.46 H new ATOM 0 HB VAL A 24 -12.959 -4.485 -3.947 1.00 2.28 H new ATOM 0 HG11 VAL A 24 -10.552 -4.953 -4.047 1.00 2.42 H new ATOM 0 HG12 VAL A 24 -11.226 -5.191 -2.417 1.00 2.42 H new ATOM 0 HG13 VAL A 24 -10.857 -6.598 -3.441 1.00 2.42 H new ATOM 0 HG21 VAL A 24 -11.910 -5.340 -6.034 1.00 2.15 H new ATOM 0 HG22 VAL A 24 -12.329 -6.999 -5.547 1.00 2.15 H new ATOM 0 HG23 VAL A 24 -13.618 -5.823 -5.897 1.00 2.15 H new ATOM 508 N THR A 34 -25.580 -2.904 -6.053 1.00 2.54 N ATOM 509 CA THR A 34 -24.294 -2.305 -5.792 1.00 2.50 C ATOM 510 C THR A 34 -23.165 -3.253 -6.148 1.00 2.40 C ATOM 511 O THR A 34 -22.222 -2.868 -6.831 1.00 2.28 O ATOM 512 CB THR A 34 -24.161 -1.909 -4.329 1.00 2.73 C ATOM 513 OG1 THR A 34 -25.357 -1.239 -3.910 1.00 2.86 O ATOM 514 CG2 THR A 34 -22.951 -1.013 -4.159 1.00 2.75 C ATOM 0 HA THR A 34 -24.226 -1.414 -6.416 1.00 2.50 H new ATOM 0 HB THR A 34 -24.024 -2.796 -3.710 1.00 2.73 H new ATOM 0 HG1 THR A 34 -26.137 -1.688 -4.298 1.00 2.86 H new ATOM 0 HG21 THR A 34 -22.854 -0.728 -3.111 1.00 2.75 H new ATOM 0 HG22 THR A 34 -22.055 -1.548 -4.474 1.00 2.75 H new ATOM 0 HG23 THR A 34 -23.073 -0.118 -4.769 1.00 2.75 H new ATOM 522 N ARG A 35 -23.288 -4.500 -5.725 1.00 2.51 N ATOM 523 CA ARG A 35 -22.260 -5.485 -5.997 1.00 2.50 C ATOM 524 C ARG A 35 -22.187 -5.730 -7.494 1.00 2.38 C ATOM 525 O ARG A 35 -21.115 -5.944 -8.052 1.00 2.33 O ATOM 526 CB ARG A 35 -22.549 -6.800 -5.269 1.00 2.77 C ATOM 527 CG ARG A 35 -22.523 -6.685 -3.757 1.00 2.94 C ATOM 528 CD ARG A 35 -22.807 -8.025 -3.094 1.00 3.35 C ATOM 529 NE ARG A 35 -23.700 -7.892 -1.941 1.00 3.39 N ATOM 530 CZ ARG A 35 -23.978 -8.883 -1.087 1.00 3.73 C ATOM 531 NH1 ARG A 35 -23.511 -10.109 -1.305 1.00 4.16 N ATOM 532 NH2 ARG A 35 -24.748 -8.650 -0.030 1.00 3.92 N ATOM 0 H ARG A 35 -24.086 -4.851 -5.195 1.00 2.51 H new ATOM 0 HA ARG A 35 -21.306 -5.102 -5.635 1.00 2.50 H new ATOM 0 HB2 ARG A 35 -23.527 -7.168 -5.579 1.00 2.77 H new ATOM 0 HB3 ARG A 35 -21.816 -7.544 -5.579 1.00 2.77 H new ATOM 0 HG2 ARG A 35 -21.549 -6.317 -3.435 1.00 2.94 H new ATOM 0 HG3 ARG A 35 -23.263 -5.953 -3.433 1.00 2.94 H new ATOM 0 HD2 ARG A 35 -23.255 -8.701 -3.822 1.00 3.35 H new ATOM 0 HD3 ARG A 35 -21.868 -8.477 -2.774 1.00 3.35 H new ATOM 0 HE ARG A 35 -24.138 -6.985 -1.779 1.00 3.39 H new ATOM 0 HH11 ARG A 35 -22.937 -10.298 -2.127 1.00 4.16 H new ATOM 0 HH12 ARG A 35 -23.726 -10.861 -0.650 1.00 4.16 H new ATOM 0 HH21 ARG A 35 -25.126 -7.716 0.129 1.00 3.92 H new ATOM 0 HH22 ARG A 35 -24.961 -9.405 0.622 1.00 3.92 H new ATOM 546 N GLU A 36 -23.347 -5.657 -8.133 1.00 2.39 N ATOM 547 CA GLU A 36 -23.459 -5.882 -9.562 1.00 2.38 C ATOM 548 C GLU A 36 -22.713 -4.820 -10.347 1.00 2.27 C ATOM 549 O GLU A 36 -22.018 -5.130 -11.308 1.00 2.33 O ATOM 550 CB GLU A 36 -24.923 -5.876 -10.006 1.00 2.47 C ATOM 551 CG GLU A 36 -25.831 -6.801 -9.217 1.00 2.59 C ATOM 552 CD GLU A 36 -27.213 -6.895 -9.838 1.00 3.03 C ATOM 553 OE1 GLU A 36 -27.312 -7.357 -10.999 1.00 3.21 O ATOM 554 OE2 GLU A 36 -28.198 -6.486 -9.188 1.00 3.55 O ATOM 0 H GLU A 36 -24.232 -5.441 -7.674 1.00 2.39 H new ATOM 0 HA GLU A 36 -23.018 -6.858 -9.763 1.00 2.38 H new ATOM 0 HB2 GLU A 36 -25.308 -4.859 -9.928 1.00 2.47 H new ATOM 0 HB3 GLU A 36 -24.970 -6.155 -11.059 1.00 2.47 H new ATOM 0 HG2 GLU A 36 -25.385 -7.795 -9.169 1.00 2.59 H new ATOM 0 HG3 GLU A 36 -25.916 -6.440 -8.192 1.00 2.59 H new ATOM 561 N LYS A 37 -22.842 -3.566 -9.932 1.00 2.21 N ATOM 562 CA LYS A 37 -22.183 -2.489 -10.650 1.00 2.23 C ATOM 563 C LYS A 37 -20.699 -2.429 -10.330 1.00 2.19 C ATOM 564 O LYS A 37 -19.909 -2.141 -11.217 1.00 2.26 O ATOM 565 CB LYS A 37 -22.861 -1.129 -10.441 1.00 2.31 C ATOM 566 CG LYS A 37 -23.263 -0.815 -9.017 1.00 2.44 C ATOM 567 CD LYS A 37 -24.639 -0.170 -8.980 1.00 2.48 C ATOM 568 CE LYS A 37 -24.673 1.013 -8.037 1.00 2.57 C ATOM 569 NZ LYS A 37 -24.573 2.309 -8.765 1.00 2.84 N ATOM 0 H LYS A 37 -23.385 -3.276 -9.119 1.00 2.21 H new ATOM 0 HA LYS A 37 -22.285 -2.722 -11.710 1.00 2.23 H new ATOM 0 HB2 LYS A 37 -22.185 -0.348 -10.790 1.00 2.31 H new ATOM 0 HB3 LYS A 37 -23.751 -1.085 -11.069 1.00 2.31 H new ATOM 0 HG2 LYS A 37 -23.268 -1.730 -8.425 1.00 2.44 H new ATOM 0 HG3 LYS A 37 -22.530 -0.147 -8.565 1.00 2.44 H new ATOM 0 HD2 LYS A 37 -24.917 0.155 -9.983 1.00 2.48 H new ATOM 0 HD3 LYS A 37 -25.379 -0.907 -8.667 1.00 2.48 H new ATOM 0 HE2 LYS A 37 -25.598 0.991 -7.461 1.00 2.57 H new ATOM 0 HE3 LYS A 37 -23.852 0.933 -7.325 1.00 2.57 H new ATOM 0 HZ1 LYS A 37 -24.668 3.095 -8.090 1.00 2.84 H new ATOM 0 HZ2 LYS A 37 -23.650 2.370 -9.240 1.00 2.84 H new ATOM 0 HZ3 LYS A 37 -25.331 2.368 -9.474 1.00 2.84 H new ATOM 583 N VAL A 38 -20.304 -2.686 -9.081 1.00 2.13 N ATOM 584 CA VAL A 38 -18.877 -2.679 -8.757 1.00 2.10 C ATOM 585 C VAL A 38 -18.193 -3.800 -9.545 1.00 2.10 C ATOM 586 O VAL A 38 -17.165 -3.583 -10.185 1.00 2.14 O ATOM 587 CB VAL A 38 -18.605 -2.828 -7.245 1.00 2.11 C ATOM 588 CG1 VAL A 38 -19.517 -1.913 -6.451 1.00 2.26 C ATOM 589 CG2 VAL A 38 -18.747 -4.261 -6.785 1.00 2.12 C ATOM 0 H VAL A 38 -20.928 -2.895 -8.302 1.00 2.13 H new ATOM 0 HA VAL A 38 -18.467 -1.710 -9.040 1.00 2.10 H new ATOM 0 HB VAL A 38 -17.571 -2.534 -7.065 1.00 2.11 H new ATOM 0 HG11 VAL A 38 -19.313 -2.030 -5.387 1.00 2.26 H new ATOM 0 HG12 VAL A 38 -19.338 -0.878 -6.743 1.00 2.26 H new ATOM 0 HG13 VAL A 38 -20.557 -2.172 -6.652 1.00 2.26 H new ATOM 0 HG21 VAL A 38 -18.547 -4.321 -5.715 1.00 2.12 H new ATOM 0 HG22 VAL A 38 -19.761 -4.609 -6.985 1.00 2.12 H new ATOM 0 HG23 VAL A 38 -18.036 -4.888 -7.323 1.00 2.12 H new ATOM 599 N GLU A 39 -18.801 -4.989 -9.504 1.00 2.16 N ATOM 600 CA GLU A 39 -18.308 -6.150 -10.233 1.00 2.30 C ATOM 601 C GLU A 39 -18.297 -5.845 -11.718 1.00 2.42 C ATOM 602 O GLU A 39 -17.344 -6.178 -12.418 1.00 2.56 O ATOM 603 CB GLU A 39 -19.180 -7.382 -9.966 1.00 2.46 C ATOM 604 CG GLU A 39 -18.543 -8.402 -9.034 1.00 2.53 C ATOM 605 CD GLU A 39 -19.090 -9.805 -9.249 1.00 2.89 C ATOM 606 OE1 GLU A 39 -18.570 -10.523 -10.134 1.00 3.12 O ATOM 607 OE2 GLU A 39 -20.046 -10.195 -8.546 1.00 3.27 O ATOM 0 H GLU A 39 -19.647 -5.169 -8.964 1.00 2.16 H new ATOM 0 HA GLU A 39 -17.297 -6.368 -9.890 1.00 2.30 H new ATOM 0 HB2 GLU A 39 -20.128 -7.057 -9.538 1.00 2.46 H new ATOM 0 HB3 GLU A 39 -19.408 -7.866 -10.916 1.00 2.46 H new ATOM 0 HG2 GLU A 39 -17.464 -8.408 -9.189 1.00 2.53 H new ATOM 0 HG3 GLU A 39 -18.715 -8.102 -8.000 1.00 2.53 H new ATOM 614 N ALA A 40 -19.364 -5.209 -12.195 1.00 2.42 N ATOM 615 CA ALA A 40 -19.447 -4.836 -13.596 1.00 2.60 C ATOM 616 C ALA A 40 -18.323 -3.883 -13.925 1.00 2.65 C ATOM 617 O ALA A 40 -17.499 -4.168 -14.780 1.00 2.86 O ATOM 618 CB ALA A 40 -20.778 -4.181 -13.929 1.00 2.61 C ATOM 0 H ALA A 40 -20.174 -4.945 -11.634 1.00 2.42 H new ATOM 0 HA ALA A 40 -19.364 -5.745 -14.192 1.00 2.60 H new ATOM 0 HB1 ALA A 40 -20.799 -3.917 -14.986 1.00 2.61 H new ATOM 0 HB2 ALA A 40 -21.590 -4.875 -13.712 1.00 2.61 H new ATOM 0 HB3 ALA A 40 -20.901 -3.280 -13.328 1.00 2.61 H new ATOM 624 N ALA A 41 -18.264 -2.779 -13.191 1.00 2.52 N ATOM 625 CA ALA A 41 -17.254 -1.765 -13.408 1.00 2.63 C ATOM 626 C ALA A 41 -15.842 -2.328 -13.476 1.00 2.66 C ATOM 627 O ALA A 41 -15.118 -2.067 -14.432 1.00 2.89 O ATOM 628 CB ALA A 41 -17.339 -0.748 -12.303 1.00 2.54 C ATOM 0 H ALA A 41 -18.914 -2.567 -12.434 1.00 2.52 H new ATOM 0 HA ALA A 41 -17.455 -1.310 -14.378 1.00 2.63 H new ATOM 0 HB1 ALA A 41 -16.582 0.021 -12.457 1.00 2.54 H new ATOM 0 HB2 ALA A 41 -18.328 -0.289 -12.306 1.00 2.54 H new ATOM 0 HB3 ALA A 41 -17.169 -1.238 -11.344 1.00 2.54 H new ATOM 634 N MET A 42 -15.456 -3.117 -12.488 1.00 2.47 N ATOM 635 CA MET A 42 -14.122 -3.692 -12.478 1.00 2.49 C ATOM 636 C MET A 42 -13.947 -4.644 -13.656 1.00 2.73 C ATOM 637 O MET A 42 -12.859 -4.777 -14.197 1.00 2.88 O ATOM 638 CB MET A 42 -13.803 -4.393 -11.155 1.00 2.29 C ATOM 639 CG MET A 42 -14.792 -5.462 -10.761 1.00 2.26 C ATOM 640 SD MET A 42 -14.539 -6.033 -9.077 1.00 2.15 S ATOM 641 CE MET A 42 -14.827 -4.494 -8.216 1.00 2.02 C ATOM 0 H MET A 42 -16.039 -3.372 -11.691 1.00 2.47 H new ATOM 0 HA MET A 42 -13.411 -2.872 -12.579 1.00 2.49 H new ATOM 0 HB2 MET A 42 -12.812 -4.841 -11.225 1.00 2.29 H new ATOM 0 HB3 MET A 42 -13.760 -3.645 -10.363 1.00 2.29 H new ATOM 0 HG2 MET A 42 -15.805 -5.073 -10.862 1.00 2.26 H new ATOM 0 HG3 MET A 42 -14.705 -6.306 -11.446 1.00 2.26 H new ATOM 0 HE1 MET A 42 -15.236 -4.701 -7.227 1.00 2.02 H new ATOM 0 HE2 MET A 42 -13.886 -3.953 -8.114 1.00 2.02 H new ATOM 0 HE3 MET A 42 -15.535 -3.888 -8.781 1.00 2.02 H new ATOM 651 N ALA A 43 -15.032 -5.300 -14.054 1.00 2.80 N ATOM 652 CA ALA A 43 -14.980 -6.263 -15.149 1.00 3.09 C ATOM 653 C ALA A 43 -14.808 -5.563 -16.488 1.00 3.36 C ATOM 654 O ALA A 43 -13.991 -5.970 -17.316 1.00 3.60 O ATOM 655 CB ALA A 43 -16.229 -7.133 -15.163 1.00 3.15 C ATOM 0 H ALA A 43 -15.955 -5.183 -13.637 1.00 2.80 H new ATOM 0 HA ALA A 43 -14.113 -6.903 -14.986 1.00 3.09 H new ATOM 0 HB1 ALA A 43 -16.168 -7.843 -15.988 1.00 3.15 H new ATOM 0 HB2 ALA A 43 -16.305 -7.676 -14.221 1.00 3.15 H new ATOM 0 HB3 ALA A 43 -17.110 -6.503 -15.291 1.00 3.15 H new ATOM 661 N GLU A 44 -15.583 -4.504 -16.686 1.00 3.34 N ATOM 662 CA GLU A 44 -15.549 -3.741 -17.926 1.00 3.63 C ATOM 663 C GLU A 44 -14.236 -2.996 -18.064 1.00 3.73 C ATOM 664 O GLU A 44 -13.624 -2.984 -19.131 1.00 4.02 O ATOM 665 CB GLU A 44 -16.700 -2.741 -17.966 1.00 3.61 C ATOM 666 CG GLU A 44 -18.000 -3.278 -17.406 1.00 3.44 C ATOM 667 CD GLU A 44 -19.216 -2.906 -18.233 1.00 3.74 C ATOM 668 OE1 GLU A 44 -19.427 -3.514 -19.301 1.00 4.09 O ATOM 669 OE2 GLU A 44 -19.973 -1.999 -17.815 1.00 3.86 O ATOM 0 H GLU A 44 -16.248 -4.152 -15.997 1.00 3.34 H new ATOM 0 HA GLU A 44 -15.648 -4.443 -18.754 1.00 3.63 H new ATOM 0 HB2 GLU A 44 -16.415 -1.851 -17.405 1.00 3.61 H new ATOM 0 HB3 GLU A 44 -16.862 -2.429 -18.998 1.00 3.61 H new ATOM 0 HG2 GLU A 44 -17.936 -4.364 -17.338 1.00 3.44 H new ATOM 0 HG3 GLU A 44 -18.132 -2.902 -16.391 1.00 3.44 H new ATOM 676 N LEU A 45 -13.804 -2.375 -16.977 1.00 3.50 N ATOM 677 CA LEU A 45 -12.551 -1.631 -16.989 1.00 3.59 C ATOM 678 C LEU A 45 -11.364 -2.567 -16.830 1.00 3.56 C ATOM 679 O LEU A 45 -10.219 -2.113 -16.821 1.00 3.63 O ATOM 680 CB LEU A 45 -12.510 -0.596 -15.858 1.00 3.41 C ATOM 681 CG LEU A 45 -13.793 0.200 -15.627 1.00 3.38 C ATOM 682 CD1 LEU A 45 -13.533 1.351 -14.666 1.00 3.36 C ATOM 683 CD2 LEU A 45 -14.366 0.697 -16.945 1.00 3.71 C ATOM 0 H LEU A 45 -14.296 -2.370 -16.083 1.00 3.50 H new ATOM 0 HA LEU A 45 -12.492 -1.121 -17.950 1.00 3.59 H new ATOM 0 HB2 LEU A 45 -12.254 -1.110 -14.932 1.00 3.41 H new ATOM 0 HB3 LEU A 45 -11.703 0.107 -16.066 1.00 3.41 H new ATOM 0 HG LEU A 45 -14.535 -0.458 -15.175 1.00 3.38 H new ATOM 0 HD11 LEU A 45 -14.456 1.910 -14.510 1.00 3.36 H new ATOM 0 HD12 LEU A 45 -13.182 0.957 -13.712 1.00 3.36 H new ATOM 0 HD13 LEU A 45 -12.775 2.012 -15.086 1.00 3.36 H new ATOM 0 HD21 LEU A 45 -15.279 1.261 -16.755 1.00 3.71 H new ATOM 0 HD22 LEU A 45 -13.638 1.341 -17.439 1.00 3.71 H new ATOM 0 HD23 LEU A 45 -14.592 -0.154 -17.587 1.00 3.71 H new ATOM 695 N ASN A 46 -11.648 -3.868 -16.698 1.00 3.49 N ATOM 696 CA ASN A 46 -10.612 -4.902 -16.516 1.00 3.50 C ATOM 697 C ASN A 46 -10.059 -4.836 -15.091 1.00 3.19 C ATOM 698 O ASN A 46 -9.949 -5.856 -14.407 1.00 3.08 O ATOM 699 CB ASN A 46 -9.489 -4.764 -17.562 1.00 3.80 C ATOM 700 CG ASN A 46 -8.163 -5.343 -17.099 1.00 3.84 C ATOM 701 OD1 ASN A 46 -7.334 -4.641 -16.528 1.00 4.18 O ATOM 702 ND2 ASN A 46 -7.946 -6.622 -17.356 1.00 3.81 N ATOM 0 H ASN A 46 -12.599 -4.237 -16.714 1.00 3.49 H new ATOM 0 HA ASN A 46 -11.067 -5.881 -16.668 1.00 3.50 H new ATOM 0 HB2 ASN A 46 -9.795 -5.264 -18.481 1.00 3.80 H new ATOM 0 HB3 ASN A 46 -9.353 -3.710 -17.802 1.00 3.80 H new ATOM 0 HD21 ASN A 46 -7.066 -7.056 -17.077 1.00 3.81 H new ATOM 0 HD22 ASN A 46 -8.659 -7.174 -17.833 1.00 3.81 H new ATOM 1030 N THR B 5 6.187 -9.435 6.036 1.00 2.76 N ATOM 1031 CA THR B 5 6.190 -8.240 5.243 1.00 2.63 C ATOM 1032 C THR B 5 7.645 -7.984 4.933 1.00 2.52 C ATOM 1033 O THR B 5 8.504 -8.457 5.673 1.00 2.57 O ATOM 1034 CB THR B 5 5.587 -7.057 6.020 1.00 2.87 C ATOM 1035 OG1 THR B 5 4.895 -7.537 7.180 1.00 3.17 O ATOM 1036 CG2 THR B 5 4.620 -6.285 5.152 1.00 2.93 C ATOM 0 HA THR B 5 5.587 -8.351 4.342 1.00 2.63 H new ATOM 0 HB THR B 5 6.400 -6.397 6.321 1.00 2.87 H new ATOM 0 HG1 THR B 5 5.337 -8.346 7.513 1.00 3.17 H new ATOM 0 HG21 THR B 5 4.205 -5.453 5.721 1.00 2.93 H new ATOM 0 HG22 THR B 5 5.144 -5.901 4.277 1.00 2.93 H new ATOM 0 HG23 THR B 5 3.813 -6.944 4.832 1.00 2.93 H new ATOM 1044 N LEU B 6 7.966 -7.283 3.866 1.00 2.40 N ATOM 1045 CA LEU B 6 9.376 -7.061 3.572 1.00 2.35 C ATOM 1046 C LEU B 6 10.056 -6.313 4.725 1.00 2.56 C ATOM 1047 O LEU B 6 11.273 -6.363 4.888 1.00 2.56 O ATOM 1048 CB LEU B 6 9.542 -6.357 2.243 1.00 2.33 C ATOM 1049 CG LEU B 6 10.300 -7.147 1.194 1.00 2.21 C ATOM 1050 CD1 LEU B 6 10.573 -6.289 -0.028 1.00 2.35 C ATOM 1051 CD2 LEU B 6 11.597 -7.700 1.763 1.00 2.15 C ATOM 0 H LEU B 6 7.305 -6.870 3.208 1.00 2.40 H new ATOM 0 HA LEU B 6 9.875 -8.026 3.481 1.00 2.35 H new ATOM 0 HB2 LEU B 6 8.554 -6.114 1.851 1.00 2.33 H new ATOM 0 HB3 LEU B 6 10.060 -5.413 2.410 1.00 2.33 H new ATOM 0 HG LEU B 6 9.679 -7.989 0.890 1.00 2.21 H new ATOM 0 HD11 LEU B 6 11.118 -6.874 -0.769 1.00 2.35 H new ATOM 0 HD12 LEU B 6 9.628 -5.952 -0.455 1.00 2.35 H new ATOM 0 HD13 LEU B 6 11.169 -5.424 0.261 1.00 2.35 H new ATOM 0 HD21 LEU B 6 12.122 -8.263 0.991 1.00 2.15 H new ATOM 0 HD22 LEU B 6 12.225 -6.877 2.103 1.00 2.15 H new ATOM 0 HD23 LEU B 6 11.374 -8.358 2.603 1.00 2.15 H new ATOM 1063 N TYR B 7 9.236 -5.648 5.532 1.00 2.79 N ATOM 1064 CA TYR B 7 9.700 -4.918 6.716 1.00 3.08 C ATOM 1065 C TYR B 7 10.312 -5.889 7.721 1.00 3.12 C ATOM 1066 O TYR B 7 11.304 -5.596 8.382 1.00 3.25 O ATOM 1067 CB TYR B 7 8.521 -4.228 7.406 1.00 3.33 C ATOM 1068 CG TYR B 7 8.371 -2.754 7.133 1.00 3.53 C ATOM 1069 CD1 TYR B 7 9.448 -1.958 6.757 1.00 3.59 C ATOM 1070 CD2 TYR B 7 7.132 -2.153 7.284 1.00 3.70 C ATOM 1071 CE1 TYR B 7 9.285 -0.606 6.540 1.00 3.84 C ATOM 1072 CE2 TYR B 7 6.962 -0.806 7.064 1.00 3.93 C ATOM 1073 CZ TYR B 7 8.042 -0.036 6.694 1.00 4.03 C ATOM 1074 OH TYR B 7 7.876 1.308 6.477 1.00 4.28 O ATOM 0 H TYR B 7 8.228 -5.597 5.387 1.00 2.79 H new ATOM 0 HA TYR B 7 10.437 -4.183 6.391 1.00 3.08 H new ATOM 0 HB2 TYR B 7 7.602 -4.730 7.102 1.00 3.33 H new ATOM 0 HB3 TYR B 7 8.621 -4.370 8.482 1.00 3.33 H new ATOM 0 HD1 TYR B 7 10.424 -2.404 6.634 1.00 3.59 H new ATOM 0 HD2 TYR B 7 6.284 -2.753 7.580 1.00 3.70 H new ATOM 0 HE1 TYR B 7 10.129 0.003 6.251 1.00 3.84 H new ATOM 0 HE2 TYR B 7 5.988 -0.355 7.181 1.00 3.93 H new ATOM 0 HH TYR B 7 6.938 1.550 6.627 1.00 4.28 H new ATOM 1084 N ASP B 8 9.691 -7.054 7.792 1.00 3.03 N ATOM 1085 CA ASP B 8 10.067 -8.124 8.706 1.00 3.14 C ATOM 1086 C ASP B 8 11.435 -8.657 8.360 1.00 2.96 C ATOM 1087 O ASP B 8 12.282 -8.855 9.231 1.00 3.10 O ATOM 1088 CB ASP B 8 9.014 -9.231 8.633 1.00 3.13 C ATOM 1089 CG ASP B 8 7.720 -8.836 9.309 1.00 3.41 C ATOM 1090 OD1 ASP B 8 7.720 -8.643 10.541 1.00 3.77 O ATOM 1091 OD2 ASP B 8 6.700 -8.705 8.599 1.00 3.29 O ATOM 0 H ASP B 8 8.892 -7.290 7.203 1.00 3.03 H new ATOM 0 HA ASP B 8 10.112 -7.738 9.725 1.00 3.14 H new ATOM 0 HB2 ASP B 8 8.817 -9.474 7.589 1.00 3.13 H new ATOM 0 HB3 ASP B 8 9.406 -10.134 9.102 1.00 3.13 H new ATOM 1096 N VAL B 9 11.651 -8.867 7.074 1.00 2.68 N ATOM 1097 CA VAL B 9 12.915 -9.364 6.589 1.00 2.52 C ATOM 1098 C VAL B 9 13.969 -8.303 6.812 1.00 2.58 C ATOM 1099 O VAL B 9 15.091 -8.583 7.214 1.00 2.60 O ATOM 1100 CB VAL B 9 12.828 -9.705 5.095 1.00 2.28 C ATOM 1101 CG1 VAL B 9 14.178 -10.117 4.557 1.00 2.17 C ATOM 1102 CG2 VAL B 9 11.807 -10.801 4.849 1.00 2.28 C ATOM 0 H VAL B 9 10.958 -8.698 6.345 1.00 2.68 H new ATOM 0 HA VAL B 9 13.176 -10.274 7.130 1.00 2.52 H new ATOM 0 HB VAL B 9 12.505 -8.808 4.567 1.00 2.28 H new ATOM 0 HG11 VAL B 9 14.090 -10.354 3.497 1.00 2.17 H new ATOM 0 HG12 VAL B 9 14.887 -9.300 4.689 1.00 2.17 H new ATOM 0 HG13 VAL B 9 14.532 -10.995 5.097 1.00 2.17 H new ATOM 0 HG21 VAL B 9 11.763 -11.025 3.783 1.00 2.28 H new ATOM 0 HG22 VAL B 9 12.097 -11.698 5.397 1.00 2.28 H new ATOM 0 HG23 VAL B 9 10.827 -10.468 5.190 1.00 2.28 H new ATOM 1112 N ALA B 10 13.559 -7.075 6.564 1.00 2.67 N ATOM 1113 CA ALA B 10 14.426 -5.916 6.717 1.00 2.84 C ATOM 1114 C ALA B 10 14.926 -5.784 8.149 1.00 3.09 C ATOM 1115 O ALA B 10 16.122 -5.612 8.388 1.00 3.13 O ATOM 1116 CB ALA B 10 13.667 -4.674 6.293 1.00 2.99 C ATOM 0 H ALA B 10 12.615 -6.849 6.250 1.00 2.67 H new ATOM 0 HA ALA B 10 15.303 -6.041 6.082 1.00 2.84 H new ATOM 0 HB1 ALA B 10 14.309 -3.800 6.404 1.00 2.99 H new ATOM 0 HB2 ALA B 10 13.363 -4.771 5.251 1.00 2.99 H new ATOM 0 HB3 ALA B 10 12.782 -4.557 6.919 1.00 2.99 H new ATOM 1122 N GLU B 11 14.013 -5.909 9.093 1.00 3.27 N ATOM 1123 CA GLU B 11 14.349 -5.799 10.507 1.00 3.56 C ATOM 1124 C GLU B 11 15.248 -6.954 10.909 1.00 3.49 C ATOM 1125 O GLU B 11 16.290 -6.765 11.537 1.00 3.61 O ATOM 1126 CB GLU B 11 13.088 -5.790 11.378 1.00 3.79 C ATOM 1127 CG GLU B 11 12.326 -4.474 11.354 1.00 4.20 C ATOM 1128 CD GLU B 11 13.099 -3.328 11.979 1.00 4.71 C ATOM 1129 OE1 GLU B 11 13.893 -3.572 12.912 1.00 4.85 O ATOM 1130 OE2 GLU B 11 12.909 -2.173 11.541 1.00 5.21 O ATOM 0 H GLU B 11 13.026 -6.088 8.909 1.00 3.27 H new ATOM 0 HA GLU B 11 14.873 -4.856 10.663 1.00 3.56 H new ATOM 0 HB2 GLU B 11 12.424 -6.588 11.046 1.00 3.79 H new ATOM 0 HB3 GLU B 11 13.368 -6.016 12.407 1.00 3.79 H new ATOM 0 HG2 GLU B 11 12.083 -4.220 10.322 1.00 4.20 H new ATOM 0 HG3 GLU B 11 11.381 -4.598 11.883 1.00 4.20 H new ATOM 1137 N TYR B 12 14.820 -8.153 10.541 1.00 3.31 N ATOM 1138 CA TYR B 12 15.557 -9.371 10.837 1.00 3.27 C ATOM 1139 C TYR B 12 16.955 -9.340 10.213 1.00 3.07 C ATOM 1140 O TYR B 12 17.889 -9.946 10.739 1.00 3.12 O ATOM 1141 CB TYR B 12 14.774 -10.573 10.312 1.00 3.15 C ATOM 1142 CG TYR B 12 15.353 -11.914 10.687 1.00 3.21 C ATOM 1143 CD1 TYR B 12 15.498 -12.292 12.013 1.00 3.52 C ATOM 1144 CD2 TYR B 12 15.737 -12.808 9.706 1.00 3.01 C ATOM 1145 CE1 TYR B 12 16.012 -13.530 12.345 1.00 3.62 C ATOM 1146 CE2 TYR B 12 16.251 -14.041 10.021 1.00 3.12 C ATOM 1147 CZ TYR B 12 16.388 -14.404 11.347 1.00 3.42 C ATOM 1148 OH TYR B 12 16.896 -15.640 11.678 1.00 3.57 O ATOM 0 H TYR B 12 13.952 -8.308 10.029 1.00 3.31 H new ATOM 0 HA TYR B 12 15.677 -9.451 11.917 1.00 3.27 H new ATOM 0 HB2 TYR B 12 13.752 -10.516 10.687 1.00 3.15 H new ATOM 0 HB3 TYR B 12 14.719 -10.507 9.225 1.00 3.15 H new ATOM 0 HD1 TYR B 12 15.205 -11.609 12.797 1.00 3.52 H new ATOM 0 HD2 TYR B 12 15.630 -12.530 8.668 1.00 3.01 H new ATOM 0 HE1 TYR B 12 16.119 -13.812 13.382 1.00 3.62 H new ATOM 0 HE2 TYR B 12 16.546 -14.723 9.237 1.00 3.12 H new ATOM 0 HH TYR B 12 16.508 -15.936 12.528 1.00 3.57 H new ATOM 1158 N ALA B 13 17.101 -8.614 9.107 1.00 2.88 N ATOM 1159 CA ALA B 13 18.385 -8.524 8.434 1.00 2.72 C ATOM 1160 C ALA B 13 19.199 -7.400 9.054 1.00 2.94 C ATOM 1161 O ALA B 13 20.436 -7.404 9.015 1.00 2.90 O ATOM 1162 CB ALA B 13 18.190 -8.275 6.955 1.00 2.52 C ATOM 0 H ALA B 13 16.350 -8.085 8.664 1.00 2.88 H new ATOM 0 HA ALA B 13 18.919 -9.467 8.553 1.00 2.72 H new ATOM 0 HB1 ALA B 13 19.162 -8.210 6.466 1.00 2.52 H new ATOM 0 HB2 ALA B 13 17.619 -9.095 6.520 1.00 2.52 H new ATOM 0 HB3 ALA B 13 17.649 -7.340 6.812 1.00 2.52 H new ATOM 1168 N GLY B 14 18.486 -6.432 9.612 1.00 3.18 N ATOM 1169 CA GLY B 14 19.114 -5.305 10.265 1.00 3.46 C ATOM 1170 C GLY B 14 19.388 -4.198 9.292 1.00 3.50 C ATOM 1171 O GLY B 14 20.376 -3.476 9.402 1.00 3.66 O ATOM 0 H GLY B 14 17.466 -6.410 9.622 1.00 3.18 H new ATOM 0 HA2 GLY B 14 18.469 -4.939 11.064 1.00 3.46 H new ATOM 0 HA3 GLY B 14 20.047 -5.624 10.729 1.00 3.46 H new ATOM 1175 N VAL B 15 18.503 -4.084 8.327 1.00 3.38 N ATOM 1176 CA VAL B 15 18.639 -3.113 7.260 1.00 3.45 C ATOM 1177 C VAL B 15 17.306 -2.468 6.899 1.00 3.53 C ATOM 1178 O VAL B 15 16.252 -3.053 7.142 1.00 3.41 O ATOM 1179 CB VAL B 15 19.262 -3.767 6.026 1.00 3.19 C ATOM 1180 CG1 VAL B 15 20.732 -4.036 6.264 1.00 3.17 C ATOM 1181 CG2 VAL B 15 18.551 -5.059 5.715 1.00 2.87 C ATOM 0 H VAL B 15 17.666 -4.663 8.258 1.00 3.38 H new ATOM 0 HA VAL B 15 19.297 -2.322 7.620 1.00 3.45 H new ATOM 0 HB VAL B 15 19.159 -3.088 5.179 1.00 3.19 H new ATOM 0 HG11 VAL B 15 21.165 -4.502 5.379 1.00 3.17 H new ATOM 0 HG12 VAL B 15 21.246 -3.096 6.467 1.00 3.17 H new ATOM 0 HG13 VAL B 15 20.846 -4.704 7.118 1.00 3.17 H new ATOM 0 HG21 VAL B 15 19.000 -5.519 4.835 1.00 2.87 H new ATOM 0 HG22 VAL B 15 18.640 -5.737 6.564 1.00 2.87 H new ATOM 0 HG23 VAL B 15 17.498 -4.857 5.521 1.00 2.87 H new ATOM 1191 N SER B 16 17.356 -1.231 6.413 1.00 3.79 N ATOM 1192 CA SER B 16 16.150 -0.522 6.003 1.00 3.90 C ATOM 1193 C SER B 16 15.338 -1.393 5.059 1.00 3.60 C ATOM 1194 O SER B 16 15.866 -2.293 4.393 1.00 3.35 O ATOM 1195 CB SER B 16 16.521 0.801 5.320 1.00 4.20 C ATOM 1196 OG SER B 16 17.681 1.369 5.907 1.00 4.38 O ATOM 0 H SER B 16 18.219 -0.700 6.294 1.00 3.79 H new ATOM 0 HA SER B 16 15.549 -0.300 6.885 1.00 3.90 H new ATOM 0 HB2 SER B 16 16.694 0.630 4.257 1.00 4.20 H new ATOM 0 HB3 SER B 16 15.689 1.501 5.399 1.00 4.20 H new ATOM 0 HG SER B 16 17.898 2.210 5.454 1.00 4.38 H new ATOM 1202 N TYR B 17 14.054 -1.112 4.993 1.00 3.62 N ATOM 1203 CA TYR B 17 13.165 -1.858 4.140 1.00 3.38 C ATOM 1204 C TYR B 17 13.662 -1.800 2.737 1.00 3.32 C ATOM 1205 O TYR B 17 14.014 -2.802 2.169 1.00 3.10 O ATOM 1206 CB TYR B 17 11.822 -1.198 4.243 1.00 3.51 C ATOM 1207 CG TYR B 17 10.783 -1.798 3.364 1.00 3.30 C ATOM 1208 CD1 TYR B 17 10.231 -2.997 3.725 1.00 3.03 C ATOM 1209 CD2 TYR B 17 10.339 -1.177 2.205 1.00 3.42 C ATOM 1210 CE1 TYR B 17 9.263 -3.568 2.990 1.00 2.87 C ATOM 1211 CE2 TYR B 17 9.351 -1.766 1.438 1.00 3.26 C ATOM 1212 CZ TYR B 17 8.820 -2.970 1.844 1.00 2.94 C ATOM 1213 OH TYR B 17 7.834 -3.582 1.115 1.00 2.85 O ATOM 0 H TYR B 17 13.604 -0.367 5.525 1.00 3.62 H new ATOM 0 HA TYR B 17 13.107 -2.906 4.435 1.00 3.38 H new ATOM 0 HB2 TYR B 17 11.482 -1.249 5.277 1.00 3.51 H new ATOM 0 HB3 TYR B 17 11.928 -0.142 3.994 1.00 3.51 H new ATOM 0 HD1 TYR B 17 10.581 -3.494 4.618 1.00 3.03 H new ATOM 0 HD2 TYR B 17 10.766 -0.232 1.902 1.00 3.42 H new ATOM 0 HE1 TYR B 17 8.832 -4.506 3.307 1.00 2.87 H new ATOM 0 HE2 TYR B 17 9.001 -1.289 0.534 1.00 3.26 H new ATOM 0 HH TYR B 17 7.623 -3.037 0.328 1.00 2.85 H new ATOM 1223 N GLN B 18 13.795 -0.599 2.202 1.00 3.58 N ATOM 1224 CA GLN B 18 14.300 -0.450 0.857 1.00 3.64 C ATOM 1225 C GLN B 18 15.816 -0.740 0.784 1.00 3.63 C ATOM 1226 O GLN B 18 16.456 -0.403 -0.206 1.00 3.77 O ATOM 1227 CB GLN B 18 13.892 0.901 0.261 1.00 3.96 C ATOM 1228 CG GLN B 18 12.399 1.180 0.507 1.00 4.35 C ATOM 1229 CD GLN B 18 12.168 2.113 1.675 1.00 4.69 C ATOM 1230 OE1 GLN B 18 11.904 1.671 2.782 1.00 5.01 O ATOM 1231 NE2 GLN B 18 12.299 3.397 1.438 1.00 5.04 N ATOM 0 H GLN B 18 13.563 0.275 2.675 1.00 3.58 H new ATOM 0 HA GLN B 18 13.833 -1.205 0.225 1.00 3.64 H new ATOM 0 HB2 GLN B 18 14.493 1.695 0.705 1.00 3.96 H new ATOM 0 HB3 GLN B 18 14.096 0.907 -0.810 1.00 3.96 H new ATOM 0 HG2 GLN B 18 11.961 1.613 -0.392 1.00 4.35 H new ATOM 0 HG3 GLN B 18 11.882 0.238 0.691 1.00 4.35 H new ATOM 0 HE21 GLN B 18 12.520 3.722 0.497 1.00 5.04 H new ATOM 0 HE22 GLN B 18 12.180 4.070 2.195 1.00 5.04 H new ATOM 1240 N THR B 19 16.415 -1.234 1.894 1.00 3.52 N ATOM 1241 CA THR B 19 17.775 -1.712 1.837 1.00 3.47 C ATOM 1242 C THR B 19 17.621 -3.010 1.067 1.00 3.18 C ATOM 1243 O THR B 19 18.106 -3.182 -0.054 1.00 3.24 O ATOM 1244 CB THR B 19 18.438 -2.045 3.210 1.00 3.43 C ATOM 1245 OG1 THR B 19 18.696 -0.875 4.012 1.00 3.78 O ATOM 1246 CG2 THR B 19 19.740 -2.739 2.924 1.00 3.34 C ATOM 0 H THR B 19 15.972 -1.302 2.810 1.00 3.52 H new ATOM 0 HA THR B 19 18.419 -0.944 1.409 1.00 3.47 H new ATOM 0 HB THR B 19 17.750 -2.669 3.780 1.00 3.43 H new ATOM 0 HG1 THR B 19 19.480 -1.033 4.578 1.00 3.78 H new ATOM 0 HG21 THR B 19 20.234 -2.988 3.863 1.00 3.34 H new ATOM 0 HG22 THR B 19 19.549 -3.653 2.361 1.00 3.34 H new ATOM 0 HG23 THR B 19 20.383 -2.080 2.340 1.00 3.34 H new ATOM 1254 N VAL B 20 16.865 -3.903 1.697 1.00 2.93 N ATOM 1255 CA VAL B 20 16.532 -5.214 1.159 1.00 2.66 C ATOM 1256 C VAL B 20 15.481 -5.171 0.044 1.00 2.69 C ATOM 1257 O VAL B 20 15.528 -5.985 -0.877 1.00 2.62 O ATOM 1258 CB VAL B 20 16.086 -6.179 2.281 1.00 2.44 C ATOM 1259 CG1 VAL B 20 16.127 -5.499 3.629 1.00 2.57 C ATOM 1260 CG2 VAL B 20 14.712 -6.764 2.055 1.00 2.33 C ATOM 0 H VAL B 20 16.458 -3.730 2.616 1.00 2.93 H new ATOM 0 HA VAL B 20 17.450 -5.589 0.706 1.00 2.66 H new ATOM 0 HB VAL B 20 16.799 -7.003 2.261 1.00 2.44 H new ATOM 0 HG11 VAL B 20 15.808 -6.200 4.400 1.00 2.57 H new ATOM 0 HG12 VAL B 20 17.144 -5.167 3.838 1.00 2.57 H new ATOM 0 HG13 VAL B 20 15.458 -4.638 3.623 1.00 2.57 H new ATOM 0 HG21 VAL B 20 14.461 -7.432 2.879 1.00 2.33 H new ATOM 0 HG22 VAL B 20 13.978 -5.960 2.003 1.00 2.33 H new ATOM 0 HG23 VAL B 20 14.704 -7.323 1.119 1.00 2.33 H new ATOM 1270 N SER B 21 14.504 -4.270 0.142 1.00 2.83 N ATOM 1271 CA SER B 21 13.456 -4.166 -0.880 1.00 2.87 C ATOM 1272 C SER B 21 14.062 -3.841 -2.224 1.00 3.09 C ATOM 1273 O SER B 21 13.596 -4.309 -3.263 1.00 3.10 O ATOM 1274 CB SER B 21 12.416 -3.115 -0.495 1.00 3.04 C ATOM 1275 OG SER B 21 11.723 -3.505 0.673 1.00 3.23 O ATOM 0 H SER B 21 14.414 -3.606 0.911 1.00 2.83 H new ATOM 0 HA SER B 21 12.952 -5.130 -0.947 1.00 2.87 H new ATOM 0 HB2 SER B 21 12.905 -2.155 -0.331 1.00 3.04 H new ATOM 0 HB3 SER B 21 11.710 -2.977 -1.314 1.00 3.04 H new ATOM 0 HG SER B 21 11.133 -2.778 0.962 1.00 3.23 H new ATOM 1281 N ARG B 22 15.118 -3.046 -2.195 1.00 3.32 N ATOM 1282 CA ARG B 22 15.830 -2.682 -3.396 1.00 3.59 C ATOM 1283 C ARG B 22 16.506 -3.941 -3.915 1.00 3.45 C ATOM 1284 O ARG B 22 16.620 -4.160 -5.118 1.00 3.63 O ATOM 1285 CB ARG B 22 16.838 -1.580 -3.059 1.00 3.86 C ATOM 1286 CG ARG B 22 18.150 -1.657 -3.810 1.00 4.07 C ATOM 1287 CD ARG B 22 19.277 -1.039 -2.996 1.00 4.20 C ATOM 1288 NE ARG B 22 18.945 0.305 -2.506 1.00 4.64 N ATOM 1289 CZ ARG B 22 19.841 1.278 -2.309 1.00 4.85 C ATOM 1290 NH1 ARG B 22 21.130 1.070 -2.560 1.00 4.70 N ATOM 1291 NH2 ARG B 22 19.447 2.467 -1.863 1.00 5.40 N ATOM 0 H ARG B 22 15.500 -2.640 -1.341 1.00 3.32 H new ATOM 0 HA ARG B 22 15.168 -2.290 -4.168 1.00 3.59 H new ATOM 0 HB2 ARG B 22 16.377 -0.613 -3.262 1.00 3.86 H new ATOM 0 HB3 ARG B 22 17.047 -1.615 -1.990 1.00 3.86 H new ATOM 0 HG2 ARG B 22 18.385 -2.698 -4.034 1.00 4.07 H new ATOM 0 HG3 ARG B 22 18.059 -1.139 -4.765 1.00 4.07 H new ATOM 0 HD2 ARG B 22 19.505 -1.685 -2.148 1.00 4.20 H new ATOM 0 HD3 ARG B 22 20.177 -0.987 -3.609 1.00 4.20 H new ATOM 0 HE ARG B 22 17.967 0.510 -2.303 1.00 4.64 H new ATOM 0 HH11 ARG B 22 21.442 0.163 -2.906 1.00 4.70 H new ATOM 0 HH12 ARG B 22 21.807 1.818 -2.407 1.00 4.70 H new ATOM 0 HH21 ARG B 22 18.460 2.638 -1.671 1.00 5.40 H new ATOM 0 HH22 ARG B 22 20.132 3.208 -1.713 1.00 5.40 H new ATOM 1305 N VAL B 23 16.905 -4.776 -2.958 1.00 3.17 N ATOM 1306 CA VAL B 23 17.539 -6.051 -3.212 1.00 3.05 C ATOM 1307 C VAL B 23 16.546 -6.982 -3.902 1.00 3.00 C ATOM 1308 O VAL B 23 16.836 -7.574 -4.941 1.00 3.18 O ATOM 1309 CB VAL B 23 18.011 -6.683 -1.879 1.00 2.77 C ATOM 1310 CG1 VAL B 23 18.400 -8.134 -2.051 1.00 2.66 C ATOM 1311 CG2 VAL B 23 19.152 -5.884 -1.261 1.00 2.87 C ATOM 0 H VAL B 23 16.790 -4.573 -1.965 1.00 3.17 H new ATOM 0 HA VAL B 23 18.405 -5.900 -3.857 1.00 3.05 H new ATOM 0 HB VAL B 23 17.165 -6.650 -1.193 1.00 2.77 H new ATOM 0 HG11 VAL B 23 18.725 -8.540 -1.093 1.00 2.66 H new ATOM 0 HG12 VAL B 23 17.542 -8.700 -2.412 1.00 2.66 H new ATOM 0 HG13 VAL B 23 19.214 -8.209 -2.772 1.00 2.66 H new ATOM 0 HG21 VAL B 23 19.461 -6.353 -0.327 1.00 2.87 H new ATOM 0 HG22 VAL B 23 19.995 -5.861 -1.951 1.00 2.87 H new ATOM 0 HG23 VAL B 23 18.817 -4.866 -1.062 1.00 2.87 H new ATOM 1321 N VAL B 24 15.361 -7.068 -3.313 1.00 2.81 N ATOM 1322 CA VAL B 24 14.276 -7.896 -3.822 1.00 2.77 C ATOM 1323 C VAL B 24 13.761 -7.393 -5.173 1.00 3.04 C ATOM 1324 O VAL B 24 13.176 -8.155 -5.950 1.00 3.12 O ATOM 1325 CB VAL B 24 13.115 -7.977 -2.781 1.00 2.53 C ATOM 1326 CG1 VAL B 24 11.744 -7.860 -3.433 1.00 2.54 C ATOM 1327 CG2 VAL B 24 13.203 -9.274 -1.981 1.00 2.32 C ATOM 0 H VAL B 24 15.124 -6.560 -2.461 1.00 2.81 H new ATOM 0 HA VAL B 24 14.674 -8.898 -3.980 1.00 2.77 H new ATOM 0 HB VAL B 24 13.232 -7.127 -2.108 1.00 2.53 H new ATOM 0 HG11 VAL B 24 10.971 -7.922 -2.667 1.00 2.54 H new ATOM 0 HG12 VAL B 24 11.667 -6.903 -3.950 1.00 2.54 H new ATOM 0 HG13 VAL B 24 11.611 -8.671 -4.149 1.00 2.54 H new ATOM 0 HG21 VAL B 24 12.386 -9.313 -1.260 1.00 2.32 H new ATOM 0 HG22 VAL B 24 13.131 -10.125 -2.658 1.00 2.32 H new ATOM 0 HG23 VAL B 24 14.155 -9.311 -1.452 1.00 2.32 H new ATOM 1480 N ARG B 35 22.981 -8.173 0.691 1.00 2.50 N ATOM 1481 CA ARG B 35 22.141 -9.136 -0.005 1.00 2.44 C ATOM 1482 C ARG B 35 22.066 -10.442 0.767 1.00 2.25 C ATOM 1483 O ARG B 35 21.009 -11.043 0.886 1.00 2.20 O ATOM 1484 CB ARG B 35 22.673 -9.390 -1.417 1.00 2.67 C ATOM 1485 CG ARG B 35 22.512 -8.200 -2.346 1.00 2.98 C ATOM 1486 CD ARG B 35 22.928 -8.536 -3.771 1.00 3.19 C ATOM 1487 NE ARG B 35 24.353 -8.858 -3.873 1.00 3.34 N ATOM 1488 CZ ARG B 35 25.222 -8.172 -4.620 1.00 3.60 C ATOM 1489 NH1 ARG B 35 24.822 -7.125 -5.332 1.00 3.81 N ATOM 1490 NH2 ARG B 35 26.497 -8.537 -4.668 1.00 3.91 N ATOM 0 HA ARG B 35 21.137 -8.719 -0.078 1.00 2.44 H new ATOM 0 HB2 ARG B 35 23.729 -9.654 -1.357 1.00 2.67 H new ATOM 0 HB3 ARG B 35 22.153 -10.248 -1.844 1.00 2.67 H new ATOM 0 HG2 ARG B 35 21.473 -7.871 -2.339 1.00 2.98 H new ATOM 0 HG3 ARG B 35 23.113 -7.368 -1.978 1.00 2.98 H new ATOM 0 HD2 ARG B 35 22.340 -9.381 -4.129 1.00 3.19 H new ATOM 0 HD3 ARG B 35 22.701 -7.692 -4.422 1.00 3.19 H new ATOM 0 HE ARG B 35 24.703 -9.655 -3.341 1.00 3.34 H new ATOM 0 HH11 ARG B 35 23.843 -6.838 -5.312 1.00 3.81 H new ATOM 0 HH12 ARG B 35 25.493 -6.608 -5.899 1.00 3.81 H new ATOM 0 HH21 ARG B 35 26.817 -9.344 -4.133 1.00 3.91 H new ATOM 0 HH22 ARG B 35 27.157 -8.010 -5.240 1.00 3.91 H new ATOM 1504 N GLU B 36 23.193 -10.845 1.316 1.00 2.21 N ATOM 1505 CA GLU B 36 23.287 -12.085 2.071 1.00 2.13 C ATOM 1506 C GLU B 36 22.501 -11.999 3.376 1.00 2.03 C ATOM 1507 O GLU B 36 21.947 -12.991 3.845 1.00 2.06 O ATOM 1508 CB GLU B 36 24.753 -12.411 2.330 1.00 2.14 C ATOM 1509 CG GLU B 36 25.609 -12.248 1.085 1.00 2.40 C ATOM 1510 CD GLU B 36 27.025 -12.745 1.272 1.00 2.61 C ATOM 1511 OE1 GLU B 36 27.203 -13.877 1.772 1.00 2.82 O ATOM 1512 OE2 GLU B 36 27.969 -12.012 0.914 1.00 2.94 O ATOM 0 H GLU B 36 24.069 -10.327 1.254 1.00 2.21 H new ATOM 0 HA GLU B 36 22.844 -12.890 1.484 1.00 2.13 H new ATOM 0 HB2 GLU B 36 25.134 -11.761 3.118 1.00 2.14 H new ATOM 0 HB3 GLU B 36 24.836 -13.435 2.694 1.00 2.14 H new ATOM 0 HG2 GLU B 36 25.146 -12.789 0.259 1.00 2.40 H new ATOM 0 HG3 GLU B 36 25.634 -11.195 0.803 1.00 2.40 H new ATOM 1519 N LYS B 37 22.452 -10.805 3.952 1.00 2.03 N ATOM 1520 CA LYS B 37 21.729 -10.583 5.197 1.00 2.06 C ATOM 1521 C LYS B 37 20.229 -10.597 4.948 1.00 2.07 C ATOM 1522 O LYS B 37 19.472 -11.210 5.699 1.00 2.14 O ATOM 1523 CB LYS B 37 22.146 -9.257 5.833 1.00 2.19 C ATOM 1524 CG LYS B 37 22.913 -9.424 7.135 1.00 2.53 C ATOM 1525 CD LYS B 37 24.044 -8.416 7.251 1.00 2.52 C ATOM 1526 CE LYS B 37 23.525 -6.990 7.359 1.00 2.77 C ATOM 1527 NZ LYS B 37 22.976 -6.695 8.712 1.00 3.10 N ATOM 0 H LYS B 37 22.906 -9.973 3.575 1.00 2.03 H new ATOM 0 HA LYS B 37 21.978 -11.390 5.886 1.00 2.06 H new ATOM 0 HB2 LYS B 37 22.762 -8.702 5.126 1.00 2.19 H new ATOM 0 HB3 LYS B 37 21.256 -8.657 6.019 1.00 2.19 H new ATOM 0 HG2 LYS B 37 22.231 -9.305 7.977 1.00 2.53 H new ATOM 0 HG3 LYS B 37 23.318 -10.434 7.192 1.00 2.53 H new ATOM 0 HD2 LYS B 37 24.649 -8.649 8.127 1.00 2.52 H new ATOM 0 HD3 LYS B 37 24.696 -8.500 6.381 1.00 2.52 H new ATOM 0 HE2 LYS B 37 24.333 -6.293 7.136 1.00 2.77 H new ATOM 0 HE3 LYS B 37 22.749 -6.829 6.610 1.00 2.77 H new ATOM 0 HZ1 LYS B 37 22.886 -5.666 8.833 1.00 3.10 H new ATOM 0 HZ2 LYS B 37 22.040 -7.138 8.811 1.00 3.10 H new ATOM 0 HZ3 LYS B 37 23.618 -7.074 9.437 1.00 3.10 H new ATOM 1541 N VAL B 38 19.804 -9.924 3.887 1.00 2.07 N ATOM 1542 CA VAL B 38 18.390 -9.880 3.537 1.00 2.08 C ATOM 1543 C VAL B 38 17.944 -11.269 3.089 1.00 2.04 C ATOM 1544 O VAL B 38 16.876 -11.744 3.472 1.00 2.07 O ATOM 1545 CB VAL B 38 18.112 -8.826 2.452 1.00 2.17 C ATOM 1546 CG1 VAL B 38 18.870 -7.545 2.766 1.00 2.33 C ATOM 1547 CG2 VAL B 38 18.458 -9.329 1.071 1.00 2.21 C ATOM 0 H VAL B 38 20.414 -9.404 3.257 1.00 2.07 H new ATOM 0 HA VAL B 38 17.815 -9.585 4.415 1.00 2.08 H new ATOM 0 HB VAL B 38 17.042 -8.618 2.455 1.00 2.17 H new ATOM 0 HG11 VAL B 38 18.668 -6.804 1.993 1.00 2.33 H new ATOM 0 HG12 VAL B 38 18.547 -7.159 3.733 1.00 2.33 H new ATOM 0 HG13 VAL B 38 19.939 -7.754 2.798 1.00 2.33 H new ATOM 0 HG21 VAL B 38 18.246 -8.552 0.337 1.00 2.21 H new ATOM 0 HG22 VAL B 38 19.517 -9.586 1.032 1.00 2.21 H new ATOM 0 HG23 VAL B 38 17.862 -10.213 0.846 1.00 2.21 H new ATOM 1557 N GLU B 39 18.793 -11.909 2.286 1.00 2.06 N ATOM 1558 CA GLU B 39 18.555 -13.264 1.802 1.00 2.17 C ATOM 1559 C GLU B 39 18.386 -14.202 2.982 1.00 2.25 C ATOM 1560 O GLU B 39 17.489 -15.043 2.991 1.00 2.39 O ATOM 1561 CB GLU B 39 19.714 -13.749 0.926 1.00 2.31 C ATOM 1562 CG GLU B 39 19.425 -13.695 -0.565 1.00 2.51 C ATOM 1563 CD GLU B 39 20.410 -14.522 -1.377 1.00 2.75 C ATOM 1564 OE1 GLU B 39 20.412 -15.764 -1.221 1.00 2.96 O ATOM 1565 OE2 GLU B 39 21.191 -13.939 -2.165 1.00 3.00 O ATOM 0 H GLU B 39 19.666 -11.500 1.953 1.00 2.06 H new ATOM 0 HA GLU B 39 17.647 -13.257 1.198 1.00 2.17 H new ATOM 0 HB2 GLU B 39 20.595 -13.142 1.137 1.00 2.31 H new ATOM 0 HB3 GLU B 39 19.960 -14.775 1.201 1.00 2.31 H new ATOM 0 HG2 GLU B 39 18.413 -14.056 -0.749 1.00 2.51 H new ATOM 0 HG3 GLU B 39 19.460 -12.659 -0.902 1.00 2.51 H new ATOM 1572 N ALA B 40 19.254 -14.055 3.982 1.00 2.22 N ATOM 1573 CA ALA B 40 19.160 -14.883 5.173 1.00 2.38 C ATOM 1574 C ALA B 40 17.852 -14.602 5.877 1.00 2.45 C ATOM 1575 O ALA B 40 17.079 -15.513 6.159 1.00 2.65 O ATOM 1576 CB ALA B 40 20.312 -14.626 6.130 1.00 2.37 C ATOM 0 H ALA B 40 20.018 -13.379 3.988 1.00 2.22 H new ATOM 0 HA ALA B 40 19.208 -15.926 4.861 1.00 2.38 H new ATOM 0 HB1 ALA B 40 20.205 -15.264 7.007 1.00 2.37 H new ATOM 0 HB2 ALA B 40 21.256 -14.849 5.632 1.00 2.37 H new ATOM 0 HB3 ALA B 40 20.303 -13.581 6.438 1.00 2.37 H new ATOM 1582 N ALA B 41 17.600 -13.324 6.130 1.00 2.34 N ATOM 1583 CA ALA B 41 16.393 -12.906 6.811 1.00 2.45 C ATOM 1584 C ALA B 41 15.120 -13.446 6.170 1.00 2.47 C ATOM 1585 O ALA B 41 14.293 -14.055 6.847 1.00 2.68 O ATOM 1586 CB ALA B 41 16.342 -11.403 6.851 1.00 2.39 C ATOM 0 H ALA B 41 18.223 -12.559 5.870 1.00 2.34 H new ATOM 0 HA ALA B 41 16.434 -13.321 7.818 1.00 2.45 H new ATOM 0 HB1 ALA B 41 15.434 -11.083 7.363 1.00 2.39 H new ATOM 0 HB2 ALA B 41 17.213 -11.023 7.385 1.00 2.39 H new ATOM 0 HB3 ALA B 41 16.342 -11.012 5.834 1.00 2.39 H new ATOM 1592 N MET B 42 14.971 -13.245 4.870 1.00 2.31 N ATOM 1593 CA MET B 42 13.789 -13.717 4.166 1.00 2.35 C ATOM 1594 C MET B 42 13.722 -15.239 4.196 1.00 2.59 C ATOM 1595 O MET B 42 12.643 -15.813 4.227 1.00 2.74 O ATOM 1596 CB MET B 42 13.728 -13.196 2.729 1.00 2.21 C ATOM 1597 CG MET B 42 14.932 -13.544 1.892 1.00 2.23 C ATOM 1598 SD MET B 42 14.967 -12.630 0.342 1.00 2.21 S ATOM 1599 CE MET B 42 14.916 -10.963 0.985 1.00 2.06 C ATOM 0 H MET B 42 15.650 -12.761 4.283 1.00 2.31 H new ATOM 0 HA MET B 42 12.918 -13.318 4.687 1.00 2.35 H new ATOM 0 HB2 MET B 42 12.837 -13.597 2.247 1.00 2.21 H new ATOM 0 HB3 MET B 42 13.617 -12.112 2.752 1.00 2.21 H new ATOM 0 HG2 MET B 42 15.839 -13.332 2.458 1.00 2.23 H new ATOM 0 HG3 MET B 42 14.930 -14.613 1.682 1.00 2.23 H new ATOM 0 HE1 MET B 42 15.425 -10.291 0.294 1.00 2.06 H new ATOM 0 HE2 MET B 42 13.879 -10.648 1.099 1.00 2.06 H new ATOM 0 HE3 MET B 42 15.413 -10.932 1.955 1.00 2.06 H new ATOM 1609 N ALA B 43 14.884 -15.886 4.204 1.00 2.65 N ATOM 1610 CA ALA B 43 14.938 -17.344 4.191 1.00 2.94 C ATOM 1611 C ALA B 43 14.460 -17.925 5.514 1.00 3.17 C ATOM 1612 O ALA B 43 13.719 -18.909 5.543 1.00 3.43 O ATOM 1613 CB ALA B 43 16.347 -17.829 3.882 1.00 2.97 C ATOM 0 H ALA B 43 15.795 -15.427 4.219 1.00 2.65 H new ATOM 0 HA ALA B 43 14.268 -17.692 3.405 1.00 2.94 H new ATOM 0 HB1 ALA B 43 16.364 -18.919 3.877 1.00 2.97 H new ATOM 0 HB2 ALA B 43 16.654 -17.457 2.904 1.00 2.97 H new ATOM 0 HB3 ALA B 43 17.034 -17.459 4.643 1.00 2.97 H new ATOM 1619 N GLU B 44 14.888 -17.308 6.605 1.00 3.13 N ATOM 1620 CA GLU B 44 14.517 -17.762 7.939 1.00 3.41 C ATOM 1621 C GLU B 44 13.052 -17.505 8.212 1.00 3.51 C ATOM 1622 O GLU B 44 12.336 -18.361 8.732 1.00 3.81 O ATOM 1623 CB GLU B 44 15.341 -17.027 8.977 1.00 3.38 C ATOM 1624 CG GLU B 44 16.824 -17.076 8.712 1.00 3.23 C ATOM 1625 CD GLU B 44 17.417 -18.456 8.968 1.00 3.42 C ATOM 1626 OE1 GLU B 44 16.936 -19.153 9.894 1.00 3.67 O ATOM 1627 OE2 GLU B 44 18.355 -18.851 8.247 1.00 3.57 O ATOM 0 H GLU B 44 15.495 -16.488 6.594 1.00 3.13 H new ATOM 0 HA GLU B 44 14.706 -18.834 7.994 1.00 3.41 H new ATOM 0 HB2 GLU B 44 15.021 -15.986 9.013 1.00 3.38 H new ATOM 0 HB3 GLU B 44 15.141 -17.456 9.959 1.00 3.38 H new ATOM 0 HG2 GLU B 44 17.015 -16.788 7.678 1.00 3.23 H new ATOM 0 HG3 GLU B 44 17.327 -16.345 9.345 1.00 3.23 H new ATOM 1634 N LEU B 45 12.613 -16.314 7.855 1.00 3.28 N ATOM 1635 CA LEU B 45 11.227 -15.926 8.065 1.00 3.36 C ATOM 1636 C LEU B 45 10.333 -16.501 6.974 1.00 3.35 C ATOM 1637 O LEU B 45 9.125 -16.256 6.965 1.00 3.40 O ATOM 1638 CB LEU B 45 11.096 -14.399 8.087 1.00 3.17 C ATOM 1639 CG LEU B 45 12.180 -13.649 8.870 1.00 3.15 C ATOM 1640 CD1 LEU B 45 11.789 -12.189 9.045 1.00 3.11 C ATOM 1641 CD2 LEU B 45 12.439 -14.310 10.217 1.00 3.47 C ATOM 0 H LEU B 45 13.193 -15.597 7.419 1.00 3.28 H new ATOM 0 HA LEU B 45 10.908 -16.326 9.027 1.00 3.36 H new ATOM 0 HB2 LEU B 45 11.101 -14.038 7.059 1.00 3.17 H new ATOM 0 HB3 LEU B 45 10.125 -14.142 8.510 1.00 3.17 H new ATOM 0 HG LEU B 45 13.107 -13.691 8.299 1.00 3.15 H new ATOM 0 HD11 LEU B 45 12.567 -11.668 9.603 1.00 3.11 H new ATOM 0 HD12 LEU B 45 11.671 -11.724 8.066 1.00 3.11 H new ATOM 0 HD13 LEU B 45 10.848 -12.127 9.592 1.00 3.11 H new ATOM 0 HD21 LEU B 45 13.212 -13.757 10.751 1.00 3.47 H new ATOM 0 HD22 LEU B 45 11.521 -14.310 10.805 1.00 3.47 H new ATOM 0 HD23 LEU B 45 12.769 -15.337 10.061 1.00 3.47 H new