USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 816 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 65 GLN : amide:sc= 0 X(o=-1,f=-1.1) USER MOD Set 1.2: A 79 TYR OH : rot 180:sc= -1.01 USER MOD Set 2.1: A 54 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.6!) USER MOD Set 3.1: A 29 TYR OH : rot 70:sc= 0.843 USER MOD Set 3.2: A 97 THR OG1 : rot -113:sc= 0.305 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0124 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= -0.315 (180deg=-0.315) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 153:sc= -0.0513 (180deg=-0.341) USER MOD Single : A 28 GLN : amide:sc=-0.00621 K(o=-0.0062,f=0.95) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.0839 (180deg=-0.578) USER MOD Single : A 33 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-8.9!) USER MOD Single : A 38 SER OG : rot -67:sc= 0.283 USER MOD Single : A 47 ASN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 53 THR OG1 : rot -24:sc= 0.444 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0465 USER MOD Single : A 59 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.21) USER MOD Single : A 63 GLN : amide:sc= -0.0444 K(o=-0.044,f=-0.99) USER MOD Single : A 67 SER OG : rot 112:sc= 1.36 USER MOD Single : A 69 GLN : amide:sc= -0.224 K(o=-0.22,f=-0.76) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.92 USER MOD Single : A 72 SER OG : rot 180:sc= 0.134 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -4.75! C(o=-4.7!,f=-12!) USER MOD Single : A 81 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.151 USER MOD Single : A 89 HIS : no HD1:sc= -1.06 K(o=0.063,f=-7!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 8.976 5.376 -7.543 1.00 33.22 N ATOM 64 CA VAL A 7 8.459 6.022 -8.744 1.00 3.54 C ATOM 65 C VAL A 7 9.143 7.363 -8.985 1.00 52.15 C ATOM 66 O VAL A 7 9.713 7.600 -10.051 1.00 3.54 O ATOM 67 CB VAL A 7 6.938 6.243 -8.652 1.00 43.40 C ATOM 68 CG1 VAL A 7 6.426 6.954 -9.895 1.00 12.33 C ATOM 69 CG2 VAL A 7 6.218 4.918 -8.452 1.00 44.43 C ATOM 0 HA VAL A 7 8.672 5.354 -9.579 1.00 3.54 H new ATOM 0 HB VAL A 7 6.732 6.876 -7.789 1.00 43.40 H new ATOM 0 HG11 VAL A 7 5.349 7.102 -9.812 1.00 12.33 H new ATOM 0 HG12 VAL A 7 6.919 7.922 -9.990 1.00 12.33 H new ATOM 0 HG13 VAL A 7 6.643 6.349 -10.775 1.00 12.33 H new ATOM 0 HG21 VAL A 7 5.144 5.093 -8.389 1.00 44.43 H new ATOM 0 HG22 VAL A 7 6.429 4.258 -9.294 1.00 44.43 H new ATOM 0 HG23 VAL A 7 6.564 4.451 -7.530 1.00 44.43 H new ATOM 79 N LEU A 8 9.083 8.238 -7.988 1.00 44.12 N ATOM 80 CA LEU A 8 9.697 9.558 -8.090 1.00 3.13 C ATOM 81 C LEU A 8 10.992 9.619 -7.284 1.00 31.45 C ATOM 82 O LEU A 8 11.097 9.023 -6.213 1.00 73.54 O ATOM 83 CB LEU A 8 8.727 10.633 -7.600 1.00 35.10 C ATOM 84 CG LEU A 8 7.358 10.663 -8.282 1.00 22.14 C ATOM 85 CD1 LEU A 8 6.569 11.885 -7.841 1.00 51.15 C ATOM 86 CD2 LEU A 8 7.516 10.646 -9.796 1.00 44.12 C ATOM 0 H LEU A 8 8.616 8.058 -7.099 1.00 44.12 H new ATOM 0 HA LEU A 8 9.933 9.742 -9.138 1.00 3.13 H new ATOM 0 HB2 LEU A 8 8.574 10.496 -6.529 1.00 35.10 H new ATOM 0 HB3 LEU A 8 9.198 11.607 -7.733 1.00 35.10 H new ATOM 0 HG LEU A 8 6.805 9.772 -7.984 1.00 22.14 H new ATOM 0 HD11 LEU A 8 5.598 11.889 -8.336 1.00 51.15 H new ATOM 0 HD12 LEU A 8 6.425 11.855 -6.761 1.00 51.15 H new ATOM 0 HD13 LEU A 8 7.117 12.788 -8.109 1.00 51.15 H new ATOM 0 HD21 LEU A 8 6.532 10.668 -10.265 1.00 44.12 H new ATOM 0 HD22 LEU A 8 8.088 11.519 -10.112 1.00 44.12 H new ATOM 0 HD23 LEU A 8 8.041 9.740 -10.097 1.00 44.12 H new ATOM 98 N SER A 9 11.974 10.346 -7.808 1.00 20.33 N ATOM 99 CA SER A 9 13.262 10.485 -7.138 1.00 21.23 C ATOM 100 C SER A 9 13.247 11.665 -6.171 1.00 2.12 C ATOM 101 O SER A 9 12.264 12.400 -6.086 1.00 43.02 O ATOM 102 CB SER A 9 14.379 10.669 -8.168 1.00 34.35 C ATOM 103 OG SER A 9 14.512 12.030 -8.538 1.00 12.10 O ATOM 0 H SER A 9 11.902 10.847 -8.693 1.00 20.33 H new ATOM 0 HA SER A 9 13.448 9.574 -6.569 1.00 21.23 H new ATOM 0 HB2 SER A 9 15.321 10.307 -7.756 1.00 34.35 H new ATOM 0 HB3 SER A 9 14.166 10.068 -9.052 1.00 34.35 H new ATOM 0 HG SER A 9 15.233 12.121 -9.195 1.00 12.10 H new ATOM 109 N GLY A 10 14.346 11.838 -5.443 1.00 60.42 N ATOM 110 CA GLY A 10 14.439 12.930 -4.491 1.00 1.33 C ATOM 111 C GLY A 10 14.052 14.264 -5.098 1.00 10.32 C ATOM 112 O GLY A 10 13.389 15.077 -4.455 1.00 52.32 O ATOM 0 H GLY A 10 15.173 11.243 -5.495 1.00 60.42 H new ATOM 0 HA2 GLY A 10 13.792 12.721 -3.639 1.00 1.33 H new ATOM 0 HA3 GLY A 10 15.459 12.990 -4.110 1.00 1.33 H new ATOM 116 N GLY A 11 14.468 14.491 -6.341 1.00 44.45 N ATOM 117 CA GLY A 11 14.152 15.737 -7.013 1.00 65.42 C ATOM 118 C GLY A 11 12.702 15.809 -7.450 1.00 23.05 C ATOM 119 O GLY A 11 12.009 16.785 -7.166 1.00 23.42 O ATOM 0 H GLY A 11 15.018 13.834 -6.894 1.00 44.45 H new ATOM 0 HA2 GLY A 11 14.369 16.571 -6.346 1.00 65.42 H new ATOM 0 HA3 GLY A 11 14.797 15.850 -7.884 1.00 65.42 H new ATOM 123 N GLU A 12 12.244 14.772 -8.146 1.00 72.30 N ATOM 124 CA GLU A 12 10.868 14.725 -8.625 1.00 0.55 C ATOM 125 C GLU A 12 9.883 14.787 -7.461 1.00 2.03 C ATOM 126 O GLU A 12 8.837 15.431 -7.553 1.00 64.51 O ATOM 127 CB GLU A 12 10.632 13.450 -9.439 1.00 3.11 C ATOM 128 CG GLU A 12 11.724 13.168 -10.458 1.00 22.40 C ATOM 129 CD GLU A 12 11.462 11.908 -11.259 1.00 11.03 C ATOM 130 OE1 GLU A 12 11.411 10.819 -10.651 1.00 45.43 O ATOM 131 OE2 GLU A 12 11.308 12.010 -12.495 1.00 43.12 O ATOM 0 H GLU A 12 12.805 13.956 -8.390 1.00 72.30 H new ATOM 0 HA GLU A 12 10.703 15.593 -9.264 1.00 0.55 H new ATOM 0 HB2 GLU A 12 10.555 12.603 -8.757 1.00 3.11 H new ATOM 0 HB3 GLU A 12 9.676 13.531 -9.956 1.00 3.11 H new ATOM 0 HG2 GLU A 12 11.809 14.016 -11.138 1.00 22.40 H new ATOM 0 HG3 GLU A 12 12.681 13.075 -9.944 1.00 22.40 H new ATOM 138 N LEU A 13 10.225 14.114 -6.369 1.00 15.13 N ATOM 139 CA LEU A 13 9.371 14.092 -5.186 1.00 43.43 C ATOM 140 C LEU A 13 9.009 15.507 -4.748 1.00 25.45 C ATOM 141 O LEU A 13 7.846 15.807 -4.479 1.00 4.04 O ATOM 142 CB LEU A 13 10.071 13.355 -4.043 1.00 42.35 C ATOM 143 CG LEU A 13 9.157 12.740 -2.982 1.00 61.35 C ATOM 144 CD1 LEU A 13 8.262 13.805 -2.366 1.00 65.12 C ATOM 145 CD2 LEU A 13 8.320 11.621 -3.581 1.00 1.44 C ATOM 0 H LEU A 13 11.087 13.576 -6.277 1.00 15.13 H new ATOM 0 HA LEU A 13 8.451 13.565 -5.441 1.00 43.43 H new ATOM 0 HB2 LEU A 13 10.684 12.561 -4.470 1.00 42.35 H new ATOM 0 HB3 LEU A 13 10.750 14.051 -3.550 1.00 42.35 H new ATOM 0 HG LEU A 13 9.781 12.318 -2.194 1.00 61.35 H new ATOM 0 HD11 LEU A 13 7.619 13.349 -1.613 1.00 65.12 H new ATOM 0 HD12 LEU A 13 8.879 14.573 -1.899 1.00 65.12 H new ATOM 0 HD13 LEU A 13 7.646 14.257 -3.144 1.00 65.12 H new ATOM 0 HD21 LEU A 13 7.676 11.196 -2.811 1.00 1.44 H new ATOM 0 HD22 LEU A 13 7.706 12.019 -4.389 1.00 1.44 H new ATOM 0 HD23 LEU A 13 8.977 10.845 -3.973 1.00 1.44 H new ATOM 157 N ASP A 14 10.013 16.375 -4.682 1.00 4.13 N ATOM 158 CA ASP A 14 9.802 17.760 -4.280 1.00 32.02 C ATOM 159 C ASP A 14 8.685 18.398 -5.101 1.00 60.42 C ATOM 160 O ASP A 14 7.762 19.000 -4.552 1.00 52.22 O ATOM 161 CB ASP A 14 11.093 18.564 -4.442 1.00 50.25 C ATOM 162 CG ASP A 14 11.282 19.584 -3.336 1.00 13.25 C ATOM 163 OD1 ASP A 14 10.533 20.585 -3.318 1.00 43.34 O ATOM 164 OD2 ASP A 14 12.176 19.382 -2.490 1.00 62.54 O ATOM 0 H ASP A 14 10.982 16.143 -4.902 1.00 4.13 H new ATOM 0 HA ASP A 14 9.509 17.767 -3.230 1.00 32.02 H new ATOM 0 HB2 ASP A 14 11.943 17.882 -4.453 1.00 50.25 H new ATOM 0 HB3 ASP A 14 11.081 19.074 -5.405 1.00 50.25 H new ATOM 169 N LYS A 15 8.777 18.265 -6.420 1.00 34.43 N ATOM 170 CA LYS A 15 7.775 18.828 -7.318 1.00 65.32 C ATOM 171 C LYS A 15 6.399 18.232 -7.039 1.00 34.55 C ATOM 172 O LYS A 15 5.425 18.960 -6.846 1.00 22.21 O ATOM 173 CB LYS A 15 8.167 18.574 -8.775 1.00 63.41 C ATOM 174 CG LYS A 15 7.938 19.770 -9.683 1.00 22.42 C ATOM 175 CD LYS A 15 8.155 19.412 -11.144 1.00 61.23 C ATOM 176 CE LYS A 15 9.548 19.802 -11.612 1.00 23.34 C ATOM 177 NZ LYS A 15 10.012 18.951 -12.743 1.00 13.33 N ATOM 0 H LYS A 15 9.536 17.772 -6.891 1.00 34.43 H new ATOM 0 HA LYS A 15 7.728 19.903 -7.143 1.00 65.32 H new ATOM 0 HB2 LYS A 15 9.219 18.293 -8.816 1.00 63.41 H new ATOM 0 HB3 LYS A 15 7.596 17.726 -9.154 1.00 63.41 H new ATOM 0 HG2 LYS A 15 6.923 20.143 -9.546 1.00 22.42 H new ATOM 0 HG3 LYS A 15 8.615 20.577 -9.401 1.00 22.42 H new ATOM 0 HD2 LYS A 15 8.010 18.341 -11.283 1.00 61.23 H new ATOM 0 HD3 LYS A 15 7.409 19.917 -11.758 1.00 61.23 H new ATOM 0 HE2 LYS A 15 9.548 20.847 -11.920 1.00 23.34 H new ATOM 0 HE3 LYS A 15 10.248 19.715 -10.781 1.00 23.34 H new ATOM 0 HZ1 LYS A 15 10.965 19.249 -13.033 1.00 13.33 H new ATOM 0 HZ2 LYS A 15 10.037 17.956 -12.441 1.00 13.33 H new ATOM 0 HZ3 LYS A 15 9.358 19.054 -13.545 1.00 13.33 H new ATOM 191 N TRP A 16 6.327 16.906 -7.020 1.00 74.04 N ATOM 192 CA TRP A 16 5.069 16.214 -6.764 1.00 54.53 C ATOM 193 C TRP A 16 4.333 16.840 -5.584 1.00 14.20 C ATOM 194 O TRP A 16 3.163 17.207 -5.696 1.00 42.14 O ATOM 195 CB TRP A 16 5.326 14.731 -6.490 1.00 13.13 C ATOM 196 CG TRP A 16 4.076 13.952 -6.211 1.00 3.05 C ATOM 197 CD1 TRP A 16 3.655 13.485 -4.999 1.00 60.30 C ATOM 198 CD2 TRP A 16 3.087 13.549 -7.165 1.00 50.14 C ATOM 199 NE1 TRP A 16 2.463 12.817 -5.141 1.00 12.45 N ATOM 200 CE2 TRP A 16 2.093 12.842 -6.460 1.00 51.31 C ATOM 201 CE3 TRP A 16 2.943 13.718 -8.544 1.00 21.13 C ATOM 202 CZ2 TRP A 16 0.974 12.305 -7.090 1.00 42.32 C ATOM 203 CZ3 TRP A 16 1.832 13.184 -9.168 1.00 72.43 C ATOM 204 CH2 TRP A 16 0.858 12.485 -8.442 1.00 50.32 C ATOM 0 H TRP A 16 7.124 16.289 -7.179 1.00 74.04 H new ATOM 0 HA TRP A 16 4.443 16.310 -7.651 1.00 54.53 H new ATOM 0 HB2 TRP A 16 5.834 14.293 -7.349 1.00 13.13 H new ATOM 0 HB3 TRP A 16 6.001 14.638 -5.639 1.00 13.13 H new ATOM 0 HD1 TRP A 16 4.182 13.621 -4.066 1.00 60.30 H new ATOM 0 HE1 TRP A 16 1.938 12.374 -4.387 1.00 12.45 H new ATOM 0 HE3 TRP A 16 3.687 14.257 -9.112 1.00 21.13 H new ATOM 0 HZ2 TRP A 16 0.224 11.765 -6.532 1.00 42.32 H new ATOM 0 HZ3 TRP A 16 1.712 13.307 -10.234 1.00 72.43 H new ATOM 0 HH2 TRP A 16 0.000 12.081 -8.959 1.00 50.32 H new ATOM 215 N GLU A 17 5.025 16.959 -4.456 1.00 74.43 N ATOM 216 CA GLU A 17 4.435 17.542 -3.256 1.00 55.01 C ATOM 217 C GLU A 17 4.119 19.020 -3.468 1.00 42.43 C ATOM 218 O GLU A 17 3.337 19.612 -2.724 1.00 73.50 O ATOM 219 CB GLU A 17 5.379 17.376 -2.064 1.00 43.03 C ATOM 220 CG GLU A 17 5.263 16.024 -1.380 1.00 43.14 C ATOM 221 CD GLU A 17 5.609 16.086 0.096 1.00 53.43 C ATOM 222 OE1 GLU A 17 4.813 16.663 0.867 1.00 12.24 O ATOM 223 OE2 GLU A 17 6.673 15.558 0.480 1.00 22.04 O ATOM 0 H GLU A 17 5.994 16.660 -4.347 1.00 74.43 H new ATOM 0 HA GLU A 17 3.504 17.016 -3.048 1.00 55.01 H new ATOM 0 HB2 GLU A 17 6.406 17.516 -2.402 1.00 43.03 H new ATOM 0 HB3 GLU A 17 5.173 18.161 -1.336 1.00 43.03 H new ATOM 0 HG2 GLU A 17 4.246 15.648 -1.496 1.00 43.14 H new ATOM 0 HG3 GLU A 17 5.924 15.313 -1.875 1.00 43.14 H new ATOM 230 N LYS A 18 4.735 19.610 -4.486 1.00 12.12 N ATOM 231 CA LYS A 18 4.522 21.019 -4.798 1.00 53.44 C ATOM 232 C LYS A 18 3.364 21.190 -5.775 1.00 53.21 C ATOM 233 O LYS A 18 3.045 22.307 -6.185 1.00 10.50 O ATOM 234 CB LYS A 18 5.795 21.631 -5.386 1.00 55.13 C ATOM 235 CG LYS A 18 6.072 23.042 -4.898 1.00 35.44 C ATOM 236 CD LYS A 18 7.562 23.295 -4.738 1.00 11.42 C ATOM 237 CE LYS A 18 8.188 23.778 -6.038 1.00 52.31 C ATOM 238 NZ LYS A 18 9.489 23.105 -6.310 1.00 33.44 N ATOM 0 H LYS A 18 5.387 19.134 -5.110 1.00 12.12 H new ATOM 0 HA LYS A 18 4.272 21.537 -3.872 1.00 53.44 H new ATOM 0 HB2 LYS A 18 6.644 20.995 -5.134 1.00 55.13 H new ATOM 0 HB3 LYS A 18 5.715 21.640 -6.473 1.00 55.13 H new ATOM 0 HG2 LYS A 18 5.654 23.760 -5.603 1.00 35.44 H new ATOM 0 HG3 LYS A 18 5.570 23.203 -3.944 1.00 35.44 H new ATOM 0 HD2 LYS A 18 7.724 24.038 -3.957 1.00 11.42 H new ATOM 0 HD3 LYS A 18 8.055 22.379 -4.414 1.00 11.42 H new ATOM 0 HE2 LYS A 18 7.502 23.590 -6.864 1.00 52.31 H new ATOM 0 HE3 LYS A 18 8.340 24.856 -5.990 1.00 52.31 H new ATOM 0 HZ1 LYS A 18 9.884 23.461 -7.204 1.00 33.44 H new ATOM 0 HZ2 LYS A 18 10.152 23.305 -5.535 1.00 33.44 H new ATOM 0 HZ3 LYS A 18 9.340 22.078 -6.382 1.00 33.44 H new ATOM 252 N ILE A 19 2.737 20.078 -6.144 1.00 40.10 N ATOM 253 CA ILE A 19 1.614 20.106 -7.072 1.00 53.31 C ATOM 254 C ILE A 19 0.285 20.026 -6.328 1.00 54.23 C ATOM 255 O ILE A 19 0.076 19.136 -5.504 1.00 55.03 O ATOM 256 CB ILE A 19 1.691 18.950 -8.087 1.00 71.33 C ATOM 257 CG1 ILE A 19 2.979 19.049 -8.907 1.00 22.53 C ATOM 258 CG2 ILE A 19 0.474 18.964 -8.998 1.00 1.23 C ATOM 259 CD1 ILE A 19 3.411 17.733 -9.514 1.00 24.04 C ATOM 0 H ILE A 19 2.988 19.146 -5.814 1.00 40.10 H new ATOM 0 HA ILE A 19 1.672 21.053 -7.608 1.00 53.31 H new ATOM 0 HB ILE A 19 1.701 18.006 -7.542 1.00 71.33 H new ATOM 0 HG12 ILE A 19 2.837 19.779 -9.704 1.00 22.53 H new ATOM 0 HG13 ILE A 19 3.778 19.425 -8.269 1.00 22.53 H new ATOM 0 HG21 ILE A 19 0.543 18.141 -9.710 1.00 1.23 H new ATOM 0 HG22 ILE A 19 -0.430 18.851 -8.399 1.00 1.23 H new ATOM 0 HG23 ILE A 19 0.435 19.909 -9.539 1.00 1.23 H new ATOM 0 HD11 ILE A 19 4.330 17.878 -10.081 1.00 24.04 H new ATOM 0 HD12 ILE A 19 3.585 17.006 -8.721 1.00 24.04 H new ATOM 0 HD13 ILE A 19 2.629 17.365 -10.178 1.00 24.04 H new ATOM 271 N ARG A 20 -0.612 20.960 -6.626 1.00 74.12 N ATOM 272 CA ARG A 20 -1.921 20.995 -5.986 1.00 32.02 C ATOM 273 C ARG A 20 -2.869 19.987 -6.631 1.00 22.41 C ATOM 274 O ARG A 20 -2.739 19.666 -7.813 1.00 1.12 O ATOM 275 CB ARG A 20 -2.519 22.401 -6.074 1.00 42.51 C ATOM 276 CG ARG A 20 -2.390 23.198 -4.786 1.00 23.45 C ATOM 277 CD ARG A 20 -2.453 24.695 -5.050 1.00 55.55 C ATOM 278 NE ARG A 20 -1.664 25.454 -4.084 1.00 34.44 N ATOM 279 CZ ARG A 20 -0.336 25.444 -4.051 1.00 3.31 C ATOM 280 NH1 ARG A 20 0.347 24.716 -4.924 1.00 41.41 N ATOM 281 NH2 ARG A 20 0.312 26.162 -3.142 1.00 51.23 N ATOM 0 H ARG A 20 -0.456 21.703 -7.307 1.00 74.12 H new ATOM 0 HA ARG A 20 -1.791 20.728 -4.937 1.00 32.02 H new ATOM 0 HB2 ARG A 20 -2.027 22.946 -6.880 1.00 42.51 H new ATOM 0 HB3 ARG A 20 -3.573 22.323 -6.339 1.00 42.51 H new ATOM 0 HG2 ARG A 20 -3.188 22.914 -4.100 1.00 23.45 H new ATOM 0 HG3 ARG A 20 -1.447 22.953 -4.298 1.00 23.45 H new ATOM 0 HD2 ARG A 20 -2.090 24.901 -6.057 1.00 55.55 H new ATOM 0 HD3 ARG A 20 -3.491 25.027 -5.011 1.00 55.55 H new ATOM 0 HE ARG A 20 -2.159 26.023 -3.397 1.00 34.44 H new ATOM 0 HH11 ARG A 20 -0.147 24.162 -5.623 1.00 41.41 H new ATOM 0 HH12 ARG A 20 1.367 24.710 -4.896 1.00 41.41 H new ATOM 0 HH21 ARG A 20 -0.210 26.722 -2.468 1.00 51.23 H new ATOM 0 HH22 ARG A 20 1.332 26.154 -3.118 1.00 51.23 H new ATOM 295 N LEU A 21 -3.820 19.492 -5.847 1.00 32.33 N ATOM 296 CA LEU A 21 -4.789 18.520 -6.341 1.00 22.04 C ATOM 297 C LEU A 21 -5.919 19.213 -7.096 1.00 2.13 C ATOM 298 O LEU A 21 -6.314 18.778 -8.178 1.00 75.24 O ATOM 299 CB LEU A 21 -5.360 17.705 -5.179 1.00 14.15 C ATOM 300 CG LEU A 21 -4.382 16.767 -4.472 1.00 22.34 C ATOM 301 CD1 LEU A 21 -4.708 16.676 -2.990 1.00 54.13 C ATOM 302 CD2 LEU A 21 -4.408 15.387 -5.112 1.00 71.31 C ATOM 0 H LEU A 21 -3.941 19.747 -4.867 1.00 32.33 H new ATOM 0 HA LEU A 21 -4.276 17.849 -7.030 1.00 22.04 H new ATOM 0 HB2 LEU A 21 -5.766 18.397 -4.441 1.00 14.15 H new ATOM 0 HB3 LEU A 21 -6.195 17.112 -5.553 1.00 14.15 H new ATOM 0 HG LEU A 21 -3.377 17.175 -4.578 1.00 22.34 H new ATOM 0 HD11 LEU A 21 -4.002 16.004 -2.503 1.00 54.13 H new ATOM 0 HD12 LEU A 21 -4.636 17.666 -2.540 1.00 54.13 H new ATOM 0 HD13 LEU A 21 -5.720 16.292 -2.863 1.00 54.13 H new ATOM 0 HD21 LEU A 21 -3.705 14.733 -4.595 1.00 71.31 H new ATOM 0 HD22 LEU A 21 -5.413 14.971 -5.038 1.00 71.31 H new ATOM 0 HD23 LEU A 21 -4.125 15.467 -6.161 1.00 71.31 H new ATOM 314 N ARG A 22 -6.433 20.295 -6.520 1.00 43.15 N ATOM 315 CA ARG A 22 -7.516 21.048 -7.138 1.00 34.41 C ATOM 316 C ARG A 22 -7.011 22.382 -7.680 1.00 22.10 C ATOM 317 O ARG A 22 -5.939 22.865 -7.311 1.00 53.42 O ATOM 318 CB ARG A 22 -8.640 21.290 -6.128 1.00 51.00 C ATOM 319 CG ARG A 22 -9.753 20.257 -6.197 1.00 12.21 C ATOM 320 CD ARG A 22 -9.597 19.195 -5.120 1.00 71.11 C ATOM 321 NE ARG A 22 -10.867 18.549 -4.800 1.00 72.42 N ATOM 322 CZ ARG A 22 -10.969 17.459 -4.048 1.00 25.11 C ATOM 323 NH1 ARG A 22 -9.881 16.896 -3.541 1.00 21.15 N ATOM 324 NH2 ARG A 22 -12.160 16.930 -3.802 1.00 4.03 N ATOM 0 H ARG A 22 -6.116 20.669 -5.626 1.00 43.15 H new ATOM 0 HA ARG A 22 -7.904 20.460 -7.970 1.00 34.41 H new ATOM 0 HB2 ARG A 22 -8.219 21.292 -5.122 1.00 51.00 H new ATOM 0 HB3 ARG A 22 -9.063 22.280 -6.298 1.00 51.00 H new ATOM 0 HG2 ARG A 22 -10.717 20.752 -6.084 1.00 12.21 H new ATOM 0 HG3 ARG A 22 -9.751 19.784 -7.179 1.00 12.21 H new ATOM 0 HD2 ARG A 22 -8.882 18.443 -5.453 1.00 71.11 H new ATOM 0 HD3 ARG A 22 -9.185 19.650 -4.219 1.00 71.11 H new ATOM 0 HE ARG A 22 -11.723 18.958 -5.175 1.00 72.42 H new ATOM 0 HH11 ARG A 22 -8.963 17.300 -3.728 1.00 21.15 H new ATOM 0 HH12 ARG A 22 -9.962 16.059 -2.964 1.00 21.15 H new ATOM 0 HH21 ARG A 22 -12.999 17.360 -4.191 1.00 4.03 H new ATOM 0 HH22 ARG A 22 -12.237 16.093 -3.224 1.00 4.03 H new ATOM 338 N PRO A 23 -7.798 22.994 -8.577 1.00 41.11 N ATOM 339 CA PRO A 23 -7.451 24.280 -9.189 1.00 50.54 C ATOM 340 C PRO A 23 -7.523 25.433 -8.195 1.00 63.23 C ATOM 341 O PRO A 23 -6.599 26.240 -8.097 1.00 43.33 O ATOM 342 CB PRO A 23 -8.508 24.449 -10.282 1.00 32.34 C ATOM 343 CG PRO A 23 -9.670 23.643 -9.814 1.00 13.44 C ATOM 344 CD PRO A 23 -9.088 22.477 -9.063 1.00 1.02 C ATOM 0 HA PRO A 23 -6.427 24.291 -9.562 1.00 50.54 H new ATOM 0 HB2 PRO A 23 -8.779 25.497 -10.411 1.00 32.34 H new ATOM 0 HB3 PRO A 23 -8.142 24.093 -11.245 1.00 32.34 H new ATOM 0 HG2 PRO A 23 -10.322 24.235 -9.172 1.00 13.44 H new ATOM 0 HG3 PRO A 23 -10.274 23.303 -10.655 1.00 13.44 H new ATOM 0 HD2 PRO A 23 -9.732 22.167 -8.240 1.00 1.02 H new ATOM 0 HD3 PRO A 23 -8.955 21.609 -9.709 1.00 1.02 H new ATOM 352 N GLY A 24 -8.626 25.504 -7.457 1.00 73.32 N ATOM 353 CA GLY A 24 -8.798 26.564 -6.478 1.00 11.53 C ATOM 354 C GLY A 24 -8.730 26.052 -5.053 1.00 2.11 C ATOM 355 O GLY A 24 -9.541 26.433 -4.211 1.00 53.05 O ATOM 0 H GLY A 24 -9.404 24.847 -7.519 1.00 73.32 H new ATOM 0 HA2 GLY A 24 -8.027 27.320 -6.626 1.00 11.53 H new ATOM 0 HA3 GLY A 24 -9.759 27.052 -6.640 1.00 11.53 H new ATOM 359 N GLY A 25 -7.760 25.184 -4.783 1.00 33.40 N ATOM 360 CA GLY A 25 -7.609 24.633 -3.449 1.00 43.40 C ATOM 361 C GLY A 25 -6.242 24.912 -2.858 1.00 62.14 C ATOM 362 O GLY A 25 -5.487 25.734 -3.379 1.00 41.23 O ATOM 0 H GLY A 25 -7.076 24.853 -5.464 1.00 33.40 H new ATOM 0 HA2 GLY A 25 -8.376 25.052 -2.797 1.00 43.40 H new ATOM 0 HA3 GLY A 25 -7.774 23.556 -3.483 1.00 43.40 H new ATOM 366 N LYS A 26 -5.921 24.229 -1.764 1.00 2.12 N ATOM 367 CA LYS A 26 -4.636 24.407 -1.099 1.00 25.23 C ATOM 368 C LYS A 26 -4.041 23.062 -0.695 1.00 62.44 C ATOM 369 O LYS A 26 -3.056 23.003 0.042 1.00 0.33 O ATOM 370 CB LYS A 26 -4.794 25.298 0.135 1.00 34.41 C ATOM 371 CG LYS A 26 -5.082 26.752 -0.199 1.00 50.01 C ATOM 372 CD LYS A 26 -5.911 27.420 0.887 1.00 4.21 C ATOM 373 CE LYS A 26 -5.141 27.513 2.196 1.00 73.12 C ATOM 374 NZ LYS A 26 -5.009 28.921 2.663 1.00 14.25 N ATOM 0 H LYS A 26 -6.534 23.546 -1.319 1.00 2.12 H new ATOM 0 HA LYS A 26 -3.956 24.889 -1.802 1.00 25.23 H new ATOM 0 HB2 LYS A 26 -5.603 24.909 0.753 1.00 34.41 H new ATOM 0 HB3 LYS A 26 -3.883 25.244 0.731 1.00 34.41 H new ATOM 0 HG2 LYS A 26 -4.143 27.291 -0.324 1.00 50.01 H new ATOM 0 HG3 LYS A 26 -5.612 26.810 -1.150 1.00 50.01 H new ATOM 0 HD2 LYS A 26 -6.201 28.419 0.562 1.00 4.21 H new ATOM 0 HD3 LYS A 26 -6.831 26.856 1.043 1.00 4.21 H new ATOM 0 HE2 LYS A 26 -5.649 26.923 2.959 1.00 73.12 H new ATOM 0 HE3 LYS A 26 -4.150 27.079 2.066 1.00 73.12 H new ATOM 0 HZ1 LYS A 26 -4.479 28.942 3.557 1.00 14.25 H new ATOM 0 HZ2 LYS A 26 -4.502 29.478 1.946 1.00 14.25 H new ATOM 0 HZ3 LYS A 26 -5.955 29.327 2.812 1.00 14.25 H new ATOM 388 N LYS A 27 -4.644 21.983 -1.182 1.00 43.22 N ATOM 389 CA LYS A 27 -4.174 20.638 -0.874 1.00 44.13 C ATOM 390 C LYS A 27 -3.156 20.167 -1.907 1.00 3.10 C ATOM 391 O LYS A 27 -3.474 20.041 -3.089 1.00 3.42 O ATOM 392 CB LYS A 27 -5.352 19.663 -0.821 1.00 51.45 C ATOM 393 CG LYS A 27 -6.406 20.038 0.206 1.00 51.23 C ATOM 394 CD LYS A 27 -6.126 19.396 1.554 1.00 44.52 C ATOM 395 CE LYS A 27 -5.874 20.442 2.629 1.00 11.14 C ATOM 396 NZ LYS A 27 -7.057 21.324 2.831 1.00 62.11 N ATOM 0 H LYS A 27 -5.460 22.014 -1.793 1.00 43.22 H new ATOM 0 HA LYS A 27 -3.689 20.665 0.102 1.00 44.13 H new ATOM 0 HB2 LYS A 27 -5.817 19.614 -1.806 1.00 51.45 H new ATOM 0 HB3 LYS A 27 -4.977 18.665 -0.596 1.00 51.45 H new ATOM 0 HG2 LYS A 27 -6.437 21.122 0.318 1.00 51.23 H new ATOM 0 HG3 LYS A 27 -7.388 19.726 -0.149 1.00 51.23 H new ATOM 0 HD2 LYS A 27 -6.972 18.772 1.843 1.00 44.52 H new ATOM 0 HD3 LYS A 27 -5.259 18.740 1.473 1.00 44.52 H new ATOM 0 HE2 LYS A 27 -5.626 19.946 3.567 1.00 11.14 H new ATOM 0 HE3 LYS A 27 -5.012 21.048 2.351 1.00 11.14 H new ATOM 0 HZ1 LYS A 27 -7.055 21.690 3.805 1.00 62.11 H new ATOM 0 HZ2 LYS A 27 -7.015 22.119 2.162 1.00 62.11 H new ATOM 0 HZ3 LYS A 27 -7.928 20.780 2.667 1.00 62.11 H new ATOM 410 N GLN A 28 -1.934 19.908 -1.453 1.00 22.35 N ATOM 411 CA GLN A 28 -0.871 19.451 -2.341 1.00 53.01 C ATOM 412 C GLN A 28 -0.955 17.944 -2.558 1.00 2.33 C ATOM 413 O GLN A 28 -1.772 17.261 -1.939 1.00 60.31 O ATOM 414 CB GLN A 28 0.497 19.820 -1.764 1.00 12.35 C ATOM 415 CG GLN A 28 0.980 21.201 -2.178 1.00 54.41 C ATOM 416 CD GLN A 28 1.753 21.902 -1.079 1.00 63.30 C ATOM 417 OE1 GLN A 28 2.955 21.692 -0.920 1.00 64.53 O ATOM 418 NE2 GLN A 28 1.065 22.741 -0.313 1.00 23.15 N ATOM 0 H GLN A 28 -1.655 20.007 -0.477 1.00 22.35 H new ATOM 0 HA GLN A 28 -0.997 19.946 -3.304 1.00 53.01 H new ATOM 0 HB2 GLN A 28 0.448 19.772 -0.676 1.00 12.35 H new ATOM 0 HB3 GLN A 28 1.229 19.078 -2.083 1.00 12.35 H new ATOM 0 HG2 GLN A 28 1.612 21.111 -3.061 1.00 54.41 H new ATOM 0 HG3 GLN A 28 0.123 21.812 -2.461 1.00 54.41 H new ATOM 0 HE21 GLN A 28 0.069 22.885 -0.481 1.00 23.15 H new ATOM 0 HE22 GLN A 28 1.532 23.242 0.443 1.00 23.15 H new ATOM 427 N TYR A 29 -0.105 17.431 -3.441 1.00 32.20 N ATOM 428 CA TYR A 29 -0.085 16.004 -3.743 1.00 75.43 C ATOM 429 C TYR A 29 0.782 15.248 -2.741 1.00 3.44 C ATOM 430 O TYR A 29 1.767 15.780 -2.228 1.00 42.00 O ATOM 431 CB TYR A 29 0.432 15.769 -5.162 1.00 30.22 C ATOM 432 CG TYR A 29 -0.665 15.525 -6.174 1.00 42.23 C ATOM 433 CD1 TYR A 29 -1.340 14.310 -6.216 1.00 32.22 C ATOM 434 CD2 TYR A 29 -1.026 16.507 -7.088 1.00 40.44 C ATOM 435 CE1 TYR A 29 -2.343 14.082 -7.138 1.00 23.52 C ATOM 436 CE2 TYR A 29 -2.029 16.287 -8.013 1.00 25.20 C ATOM 437 CZ TYR A 29 -2.683 15.074 -8.035 1.00 74.21 C ATOM 438 OH TYR A 29 -3.681 14.851 -8.956 1.00 73.45 O ATOM 0 H TYR A 29 0.579 17.982 -3.960 1.00 32.20 H new ATOM 0 HA TYR A 29 -1.105 15.628 -3.669 1.00 75.43 H new ATOM 0 HB2 TYR A 29 1.017 16.634 -5.474 1.00 30.22 H new ATOM 0 HB3 TYR A 29 1.107 14.913 -5.157 1.00 30.22 H new ATOM 0 HD1 TYR A 29 -1.076 13.531 -5.516 1.00 32.22 H new ATOM 0 HD2 TYR A 29 -0.514 17.458 -7.075 1.00 40.44 H new ATOM 0 HE1 TYR A 29 -2.858 13.133 -7.157 1.00 23.52 H new ATOM 0 HE2 TYR A 29 -2.299 17.062 -8.715 1.00 25.20 H new ATOM 0 HH TYR A 29 -4.546 14.812 -8.498 1.00 73.45 H new ATOM 448 N LYS A 30 0.410 14.003 -2.468 1.00 52.51 N ATOM 449 CA LYS A 30 1.153 13.169 -1.530 1.00 31.40 C ATOM 450 C LYS A 30 1.295 11.747 -2.060 1.00 13.42 C ATOM 451 O LYS A 30 0.621 11.359 -3.016 1.00 24.43 O ATOM 452 CB LYS A 30 0.454 13.150 -0.168 1.00 63.51 C ATOM 453 CG LYS A 30 1.238 13.851 0.928 1.00 5.11 C ATOM 454 CD LYS A 30 1.806 12.860 1.929 1.00 0.41 C ATOM 455 CE LYS A 30 2.324 13.560 3.176 1.00 20.32 C ATOM 456 NZ LYS A 30 2.662 12.592 4.256 1.00 30.42 N ATOM 0 H LYS A 30 -0.403 13.548 -2.883 1.00 52.51 H new ATOM 0 HA LYS A 30 2.149 13.595 -1.414 1.00 31.40 H new ATOM 0 HB2 LYS A 30 -0.523 13.624 -0.264 1.00 63.51 H new ATOM 0 HB3 LYS A 30 0.279 12.115 0.127 1.00 63.51 H new ATOM 0 HG2 LYS A 30 2.050 14.427 0.484 1.00 5.11 H new ATOM 0 HG3 LYS A 30 0.590 14.559 1.444 1.00 5.11 H new ATOM 0 HD2 LYS A 30 1.035 12.141 2.208 1.00 0.41 H new ATOM 0 HD3 LYS A 30 2.615 12.296 1.465 1.00 0.41 H new ATOM 0 HE2 LYS A 30 3.208 14.145 2.923 1.00 20.32 H new ATOM 0 HE3 LYS A 30 1.571 14.260 3.538 1.00 20.32 H new ATOM 0 HZ1 LYS A 30 3.011 13.109 5.088 1.00 30.42 H new ATOM 0 HZ2 LYS A 30 1.813 12.051 4.516 1.00 30.42 H new ATOM 0 HZ3 LYS A 30 3.399 11.940 3.919 1.00 30.42 H new ATOM 470 N LEU A 31 2.172 10.970 -1.433 1.00 64.22 N ATOM 471 CA LEU A 31 2.400 9.589 -1.841 1.00 4.40 C ATOM 472 C LEU A 31 1.084 8.824 -1.934 1.00 5.45 C ATOM 473 O LEU A 31 0.890 8.008 -2.835 1.00 4.54 O ATOM 474 CB LEU A 31 3.339 8.893 -0.853 1.00 35.43 C ATOM 475 CG LEU A 31 4.320 7.887 -1.455 1.00 41.32 C ATOM 476 CD1 LEU A 31 5.426 8.605 -2.211 1.00 61.55 C ATOM 477 CD2 LEU A 31 4.905 6.997 -0.367 1.00 32.13 C ATOM 0 H LEU A 31 2.737 11.274 -0.640 1.00 64.22 H new ATOM 0 HA LEU A 31 2.863 9.599 -2.828 1.00 4.40 H new ATOM 0 HB2 LEU A 31 3.911 9.657 -0.326 1.00 35.43 H new ATOM 0 HB3 LEU A 31 2.733 8.378 -0.108 1.00 35.43 H new ATOM 0 HG LEU A 31 3.778 7.257 -2.160 1.00 41.32 H new ATOM 0 HD11 LEU A 31 6.114 7.872 -2.632 1.00 61.55 H new ATOM 0 HD12 LEU A 31 4.991 9.198 -3.015 1.00 61.55 H new ATOM 0 HD13 LEU A 31 5.967 9.260 -1.528 1.00 61.55 H new ATOM 0 HD21 LEU A 31 5.601 6.287 -0.813 1.00 32.13 H new ATOM 0 HD22 LEU A 31 5.432 7.612 0.362 1.00 32.13 H new ATOM 0 HD23 LEU A 31 4.101 6.454 0.130 1.00 32.13 H new ATOM 489 N LYS A 32 0.180 9.095 -0.999 1.00 24.51 N ATOM 490 CA LYS A 32 -1.120 8.436 -0.977 1.00 73.20 C ATOM 491 C LYS A 32 -1.754 8.434 -2.364 1.00 62.31 C ATOM 492 O LYS A 32 -2.512 7.528 -2.710 1.00 20.33 O ATOM 493 CB LYS A 32 -2.050 9.132 0.019 1.00 13.10 C ATOM 494 CG LYS A 32 -1.568 9.055 1.457 1.00 53.34 C ATOM 495 CD LYS A 32 -1.465 7.616 1.935 1.00 3.54 C ATOM 496 CE LYS A 32 -2.186 7.414 3.258 1.00 73.34 C ATOM 497 NZ LYS A 32 -1.743 8.394 4.287 1.00 43.11 N ATOM 0 H LYS A 32 0.324 9.767 -0.246 1.00 24.51 H new ATOM 0 HA LYS A 32 -0.970 7.403 -0.665 1.00 73.20 H new ATOM 0 HB2 LYS A 32 -2.154 10.179 -0.265 1.00 13.10 H new ATOM 0 HB3 LYS A 32 -3.041 8.683 -0.048 1.00 13.10 H new ATOM 0 HG2 LYS A 32 -0.594 9.538 1.542 1.00 53.34 H new ATOM 0 HG3 LYS A 32 -2.254 9.605 2.101 1.00 53.34 H new ATOM 0 HD2 LYS A 32 -1.890 6.951 1.183 1.00 3.54 H new ATOM 0 HD3 LYS A 32 -0.416 7.343 2.046 1.00 3.54 H new ATOM 0 HE2 LYS A 32 -3.261 7.510 3.104 1.00 73.34 H new ATOM 0 HE3 LYS A 32 -2.005 6.402 3.619 1.00 73.34 H new ATOM 0 HZ1 LYS A 32 -1.840 7.972 5.233 1.00 43.11 H new ATOM 0 HZ2 LYS A 32 -0.748 8.646 4.121 1.00 43.11 H new ATOM 0 HZ3 LYS A 32 -2.331 9.250 4.228 1.00 43.11 H new ATOM 511 N HIS A 33 -1.436 9.454 -3.155 1.00 33.53 N ATOM 512 CA HIS A 33 -1.973 9.570 -4.507 1.00 34.43 C ATOM 513 C HIS A 33 -1.189 8.693 -5.479 1.00 62.43 C ATOM 514 O HIS A 33 -1.827 8.110 -6.356 1.00 5.04 O ATOM 515 CB HIS A 33 -1.934 11.026 -4.973 1.00 72.43 C ATOM 516 CG HIS A 33 -2.706 11.958 -4.089 1.00 13.12 C ATOM 517 ND1 HIS A 33 -2.110 12.940 -3.326 1.00 33.25 N ATOM 518 CD2 HIS A 33 -4.035 12.053 -3.849 1.00 14.32 C ATOM 519 CE1 HIS A 33 -3.039 13.598 -2.656 1.00 62.23 C ATOM 520 NE2 HIS A 33 -4.216 13.080 -2.957 1.00 52.20 N ATOM 0 H HIS A 33 -0.810 10.212 -2.884 1.00 33.53 H new ATOM 0 HA HIS A 33 -3.008 9.230 -4.490 1.00 34.43 H new ATOM 0 HB2 HIS A 33 -0.896 11.357 -5.018 1.00 72.43 H new ATOM 0 HB3 HIS A 33 -2.332 11.086 -5.986 1.00 72.43 H new ATOM 0 HD2 HIS A 33 -4.809 11.435 -4.280 1.00 14.32 H new ATOM 0 HE1 HIS A 33 -2.866 14.420 -1.977 1.00 62.23 H new ATOM 0 HE2 HIS A 33 -5.114 13.392 -2.587 1.00 52.20 H new ATOM 528 N ILE A 34 0.130 8.588 -5.352 1.00 71.30 N ATOM 529 CA ILE A 34 0.920 7.761 -6.256 1.00 71.34 C ATOM 530 C ILE A 34 0.757 6.280 -5.930 1.00 65.04 C ATOM 531 O ILE A 34 0.325 5.493 -6.771 1.00 52.13 O ATOM 532 CB ILE A 34 2.414 8.129 -6.192 1.00 5.31 C ATOM 533 CG1 ILE A 34 2.603 9.630 -6.416 1.00 22.45 C ATOM 534 CG2 ILE A 34 3.200 7.331 -7.223 1.00 33.23 C ATOM 535 CD1 ILE A 34 3.982 10.128 -6.042 1.00 72.31 C ATOM 0 H ILE A 34 0.673 9.065 -4.633 1.00 71.30 H new ATOM 0 HA ILE A 34 0.550 7.951 -7.264 1.00 71.34 H new ATOM 0 HB ILE A 34 2.792 7.879 -5.201 1.00 5.31 H new ATOM 0 HG12 ILE A 34 2.415 9.859 -7.465 1.00 22.45 H new ATOM 0 HG13 ILE A 34 1.859 10.173 -5.833 1.00 22.45 H new ATOM 0 HG21 ILE A 34 4.254 7.602 -7.166 1.00 33.23 H new ATOM 0 HG22 ILE A 34 3.087 6.266 -7.021 1.00 33.23 H new ATOM 0 HG23 ILE A 34 2.822 7.553 -8.221 1.00 33.23 H new ATOM 0 HD11 ILE A 34 4.044 11.200 -6.227 1.00 72.31 H new ATOM 0 HD12 ILE A 34 4.166 9.931 -4.986 1.00 72.31 H new ATOM 0 HD13 ILE A 34 4.731 9.612 -6.643 1.00 72.31 H new ATOM 547 N VAL A 35 1.107 5.908 -4.702 1.00 11.11 N ATOM 548 CA VAL A 35 0.997 4.522 -4.264 1.00 65.54 C ATOM 549 C VAL A 35 -0.368 3.941 -4.614 1.00 61.01 C ATOM 550 O VAL A 35 -0.480 2.771 -4.976 1.00 14.32 O ATOM 551 CB VAL A 35 1.224 4.394 -2.745 1.00 31.33 C ATOM 552 CG1 VAL A 35 1.101 2.943 -2.307 1.00 35.31 C ATOM 553 CG2 VAL A 35 2.581 4.964 -2.360 1.00 55.01 C ATOM 0 H VAL A 35 1.469 6.547 -3.994 1.00 11.11 H new ATOM 0 HA VAL A 35 1.771 3.962 -4.788 1.00 65.54 H new ATOM 0 HB VAL A 35 0.455 4.969 -2.230 1.00 31.33 H new ATOM 0 HG11 VAL A 35 1.264 2.872 -1.232 1.00 35.31 H new ATOM 0 HG12 VAL A 35 0.104 2.574 -2.548 1.00 35.31 H new ATOM 0 HG13 VAL A 35 1.846 2.341 -2.827 1.00 35.31 H new ATOM 0 HG21 VAL A 35 2.725 4.866 -1.284 1.00 55.01 H new ATOM 0 HG22 VAL A 35 3.366 4.418 -2.883 1.00 55.01 H new ATOM 0 HG23 VAL A 35 2.625 6.017 -2.637 1.00 55.01 H new ATOM 563 N TRP A 36 -1.401 4.767 -4.504 1.00 61.51 N ATOM 564 CA TRP A 36 -2.760 4.336 -4.809 1.00 11.44 C ATOM 565 C TRP A 36 -2.863 3.839 -6.247 1.00 74.32 C ATOM 566 O TRP A 36 -3.336 2.731 -6.499 1.00 74.43 O ATOM 567 CB TRP A 36 -3.745 5.483 -4.581 1.00 34.25 C ATOM 568 CG TRP A 36 -5.149 5.151 -4.987 1.00 13.51 C ATOM 569 CD1 TRP A 36 -5.958 4.198 -4.437 1.00 52.32 C ATOM 570 CD2 TRP A 36 -5.909 5.768 -6.033 1.00 62.25 C ATOM 571 NE1 TRP A 36 -7.174 4.185 -5.076 1.00 71.41 N ATOM 572 CE2 TRP A 36 -7.169 5.140 -6.059 1.00 60.12 C ATOM 573 CE3 TRP A 36 -5.647 6.792 -6.947 1.00 4.53 C ATOM 574 CZ2 TRP A 36 -8.162 5.503 -6.965 1.00 74.11 C ATOM 575 CZ3 TRP A 36 -6.633 7.150 -7.846 1.00 43.42 C ATOM 576 CH2 TRP A 36 -7.878 6.508 -7.850 1.00 74.35 C ATOM 0 H TRP A 36 -1.324 5.739 -4.206 1.00 61.51 H new ATOM 0 HA TRP A 36 -3.012 3.513 -4.140 1.00 11.44 H new ATOM 0 HB2 TRP A 36 -3.735 5.757 -3.526 1.00 34.25 H new ATOM 0 HB3 TRP A 36 -3.410 6.357 -5.140 1.00 34.25 H new ATOM 0 HD1 TRP A 36 -5.682 3.549 -3.619 1.00 52.32 H new ATOM 0 HE1 TRP A 36 -7.954 3.566 -4.855 1.00 71.41 H new ATOM 0 HE3 TRP A 36 -4.691 7.294 -6.951 1.00 4.53 H new ATOM 0 HZ2 TRP A 36 -9.122 5.009 -6.969 1.00 74.11 H new ATOM 0 HZ3 TRP A 36 -6.441 7.939 -8.558 1.00 43.42 H new ATOM 0 HH2 TRP A 36 -8.628 6.812 -8.565 1.00 74.35 H new ATOM 587 N ALA A 37 -2.417 4.665 -7.188 1.00 72.15 N ATOM 588 CA ALA A 37 -2.458 4.309 -8.600 1.00 14.52 C ATOM 589 C ALA A 37 -1.555 3.114 -8.891 1.00 54.13 C ATOM 590 O ALA A 37 -1.905 2.236 -9.679 1.00 33.32 O ATOM 591 CB ALA A 37 -2.054 5.499 -9.457 1.00 22.03 C ATOM 0 H ALA A 37 -2.023 5.586 -6.997 1.00 72.15 H new ATOM 0 HA ALA A 37 -3.481 4.028 -8.849 1.00 14.52 H new ATOM 0 HB1 ALA A 37 -2.089 5.218 -10.510 1.00 22.03 H new ATOM 0 HB2 ALA A 37 -2.742 6.326 -9.279 1.00 22.03 H new ATOM 0 HB3 ALA A 37 -1.041 5.807 -9.198 1.00 22.03 H new ATOM 597 N SER A 38 -0.391 3.088 -8.249 1.00 32.01 N ATOM 598 CA SER A 38 0.564 2.004 -8.442 1.00 72.22 C ATOM 599 C SER A 38 -0.026 0.673 -7.987 1.00 13.44 C ATOM 600 O SER A 38 0.196 -0.364 -8.614 1.00 42.23 O ATOM 601 CB SER A 38 1.855 2.291 -7.674 1.00 5.01 C ATOM 602 OG SER A 38 1.905 1.553 -6.465 1.00 4.11 O ATOM 0 H SER A 38 -0.087 3.806 -7.591 1.00 32.01 H new ATOM 0 HA SER A 38 0.790 1.937 -9.506 1.00 72.22 H new ATOM 0 HB2 SER A 38 2.715 2.037 -8.294 1.00 5.01 H new ATOM 0 HB3 SER A 38 1.923 3.357 -7.456 1.00 5.01 H new ATOM 0 HG SER A 38 1.211 1.878 -5.854 1.00 4.11 H new ATOM 608 N ARG A 39 -0.779 0.709 -6.893 1.00 31.10 N ATOM 609 CA ARG A 39 -1.401 -0.494 -6.353 1.00 75.22 C ATOM 610 C ARG A 39 -2.586 -0.925 -7.211 1.00 55.43 C ATOM 611 O ARG A 39 -3.166 -1.988 -6.995 1.00 12.53 O ATOM 612 CB ARG A 39 -1.861 -0.253 -4.913 1.00 3.31 C ATOM 613 CG ARG A 39 -2.443 -1.488 -4.246 1.00 72.20 C ATOM 614 CD ARG A 39 -2.486 -1.336 -2.734 1.00 42.55 C ATOM 615 NE ARG A 39 -3.812 -1.621 -2.192 1.00 44.12 N ATOM 616 CZ ARG A 39 -4.059 -1.775 -0.896 1.00 64.24 C ATOM 617 NH1 ARG A 39 -3.075 -1.672 -0.014 1.00 41.44 N ATOM 618 NH2 ARG A 39 -5.292 -2.032 -0.480 1.00 41.11 N ATOM 0 H ARG A 39 -0.973 1.558 -6.363 1.00 31.10 H new ATOM 0 HA ARG A 39 -0.659 -1.292 -6.362 1.00 75.22 H new ATOM 0 HB2 ARG A 39 -1.015 0.103 -4.325 1.00 3.31 H new ATOM 0 HB3 ARG A 39 -2.609 0.540 -4.907 1.00 3.31 H new ATOM 0 HG2 ARG A 39 -3.450 -1.667 -4.624 1.00 72.20 H new ATOM 0 HG3 ARG A 39 -1.845 -2.361 -4.508 1.00 72.20 H new ATOM 0 HD2 ARG A 39 -1.757 -2.009 -2.281 1.00 42.55 H new ATOM 0 HD3 ARG A 39 -2.194 -0.321 -2.463 1.00 42.55 H new ATOM 0 HE ARG A 39 -4.591 -1.706 -2.845 1.00 44.12 H new ATOM 0 HH11 ARG A 39 -2.126 -1.474 -0.330 1.00 41.44 H new ATOM 0 HH12 ARG A 39 -3.267 -1.791 0.981 1.00 41.44 H new ATOM 0 HH21 ARG A 39 -6.052 -2.112 -1.156 1.00 41.11 H new ATOM 0 HH22 ARG A 39 -5.480 -2.150 0.516 1.00 41.11 H new ATOM 632 N GLU A 40 -2.941 -0.091 -8.184 1.00 54.20 N ATOM 633 CA GLU A 40 -4.058 -0.388 -9.073 1.00 75.23 C ATOM 634 C GLU A 40 -3.568 -1.031 -10.367 1.00 40.43 C ATOM 635 O GLU A 40 -4.169 -1.984 -10.866 1.00 21.13 O ATOM 636 CB GLU A 40 -4.839 0.890 -9.390 1.00 73.35 C ATOM 637 CG GLU A 40 -6.332 0.665 -9.559 1.00 13.10 C ATOM 638 CD GLU A 40 -7.075 0.660 -8.237 1.00 20.23 C ATOM 639 OE1 GLU A 40 -6.442 0.359 -7.204 1.00 72.13 O ATOM 640 OE2 GLU A 40 -8.288 0.956 -8.237 1.00 14.53 O ATOM 0 H GLU A 40 -2.472 0.794 -8.376 1.00 54.20 H new ATOM 0 HA GLU A 40 -4.717 -1.092 -8.565 1.00 75.23 H new ATOM 0 HB2 GLU A 40 -4.677 1.612 -8.590 1.00 73.35 H new ATOM 0 HB3 GLU A 40 -4.441 1.332 -10.304 1.00 73.35 H new ATOM 0 HG2 GLU A 40 -6.743 1.445 -10.199 1.00 13.10 H new ATOM 0 HG3 GLU A 40 -6.497 -0.285 -10.068 1.00 13.10 H new ATOM 647 N LEU A 41 -2.474 -0.503 -10.906 1.00 14.42 N ATOM 648 CA LEU A 41 -1.903 -1.026 -12.142 1.00 25.34 C ATOM 649 C LEU A 41 -1.691 -2.533 -12.051 1.00 13.41 C ATOM 650 O LEU A 41 -1.902 -3.259 -13.022 1.00 63.15 O ATOM 651 CB LEU A 41 -0.574 -0.330 -12.446 1.00 53.52 C ATOM 652 CG LEU A 41 -0.636 1.187 -12.623 1.00 51.15 C ATOM 653 CD1 LEU A 41 0.755 1.753 -12.863 1.00 60.31 C ATOM 654 CD2 LEU A 41 -1.569 1.554 -13.768 1.00 2.24 C ATOM 0 H LEU A 41 -1.965 0.286 -10.507 1.00 14.42 H new ATOM 0 HA LEU A 41 -2.606 -0.826 -12.951 1.00 25.34 H new ATOM 0 HB2 LEU A 41 0.123 -0.553 -11.638 1.00 53.52 H new ATOM 0 HB3 LEU A 41 -0.159 -0.765 -13.355 1.00 53.52 H new ATOM 0 HG LEU A 41 -1.031 1.625 -11.706 1.00 51.15 H new ATOM 0 HD11 LEU A 41 0.692 2.834 -12.987 1.00 60.31 H new ATOM 0 HD12 LEU A 41 1.394 1.522 -12.010 1.00 60.31 H new ATOM 0 HD13 LEU A 41 1.178 1.309 -13.764 1.00 60.31 H new ATOM 0 HD21 LEU A 41 -1.600 2.638 -13.879 1.00 2.24 H new ATOM 0 HD22 LEU A 41 -1.205 1.105 -14.692 1.00 2.24 H new ATOM 0 HD23 LEU A 41 -2.571 1.182 -13.554 1.00 2.24 H new ATOM 666 N GLU A 42 -1.276 -2.997 -10.876 1.00 34.12 N ATOM 667 CA GLU A 42 -1.038 -4.420 -10.658 1.00 23.42 C ATOM 668 C GLU A 42 -2.276 -5.239 -11.010 1.00 72.31 C ATOM 669 O GLU A 42 -2.175 -6.403 -11.395 1.00 22.21 O ATOM 670 CB GLU A 42 -0.639 -4.675 -9.204 1.00 61.14 C ATOM 671 CG GLU A 42 0.693 -5.390 -9.054 1.00 1.02 C ATOM 672 CD GLU A 42 0.544 -6.898 -9.003 1.00 53.02 C ATOM 673 OE1 GLU A 42 -0.088 -7.462 -9.921 1.00 30.24 O ATOM 674 OE2 GLU A 42 1.058 -7.514 -8.047 1.00 43.42 O ATOM 0 H GLU A 42 -1.098 -2.409 -10.061 1.00 34.12 H new ATOM 0 HA GLU A 42 -0.222 -4.731 -11.311 1.00 23.42 H new ATOM 0 HB2 GLU A 42 -0.591 -3.722 -8.677 1.00 61.14 H new ATOM 0 HB3 GLU A 42 -1.416 -5.268 -8.722 1.00 61.14 H new ATOM 0 HG2 GLU A 42 1.341 -5.121 -9.888 1.00 1.02 H new ATOM 0 HG3 GLU A 42 1.185 -5.046 -8.144 1.00 1.02 H new ATOM 681 N ARG A 43 -3.445 -4.621 -10.872 1.00 20.22 N ATOM 682 CA ARG A 43 -4.704 -5.292 -11.173 1.00 44.53 C ATOM 683 C ARG A 43 -5.162 -4.979 -12.594 1.00 24.24 C ATOM 684 O ARG A 43 -6.076 -5.616 -13.118 1.00 22.11 O ATOM 685 CB ARG A 43 -5.783 -4.870 -10.174 1.00 3.51 C ATOM 686 CG ARG A 43 -6.709 -6.003 -9.764 1.00 73.03 C ATOM 687 CD ARG A 43 -6.759 -6.163 -8.252 1.00 63.31 C ATOM 688 NE ARG A 43 -7.474 -7.372 -7.851 1.00 22.44 N ATOM 689 CZ ARG A 43 -7.386 -7.909 -6.640 1.00 15.14 C ATOM 690 NH1 ARG A 43 -6.621 -7.348 -5.715 1.00 24.51 N ATOM 691 NH2 ARG A 43 -8.068 -9.011 -6.352 1.00 54.42 N ATOM 0 H ARG A 43 -3.546 -3.657 -10.554 1.00 20.22 H new ATOM 0 HA ARG A 43 -4.542 -6.367 -11.091 1.00 44.53 H new ATOM 0 HB2 ARG A 43 -5.303 -4.464 -9.284 1.00 3.51 H new ATOM 0 HB3 ARG A 43 -6.377 -4.067 -10.611 1.00 3.51 H new ATOM 0 HG2 ARG A 43 -7.712 -5.810 -10.144 1.00 73.03 H new ATOM 0 HG3 ARG A 43 -6.370 -6.934 -10.218 1.00 73.03 H new ATOM 0 HD2 ARG A 43 -5.743 -6.195 -7.857 1.00 63.31 H new ATOM 0 HD3 ARG A 43 -7.245 -5.292 -7.812 1.00 63.31 H new ATOM 0 HE ARG A 43 -8.073 -7.828 -8.539 1.00 22.44 H new ATOM 0 HH11 ARG A 43 -6.097 -6.500 -5.932 1.00 24.51 H new ATOM 0 HH12 ARG A 43 -6.556 -7.764 -4.786 1.00 24.51 H new ATOM 0 HH21 ARG A 43 -8.659 -9.445 -7.061 1.00 54.42 H new ATOM 0 HH22 ARG A 43 -8.001 -9.424 -5.422 1.00 54.42 H new ATOM 705 N PHE A 44 -4.519 -3.994 -13.214 1.00 51.23 N ATOM 706 CA PHE A 44 -4.861 -3.596 -14.574 1.00 24.51 C ATOM 707 C PHE A 44 -3.944 -4.276 -15.587 1.00 21.30 C ATOM 708 O PHE A 44 -3.810 -3.821 -16.723 1.00 73.54 O ATOM 709 CB PHE A 44 -4.763 -2.075 -14.722 1.00 50.04 C ATOM 710 CG PHE A 44 -6.008 -1.351 -14.296 1.00 71.43 C ATOM 711 CD1 PHE A 44 -7.223 -1.614 -14.908 1.00 51.11 C ATOM 712 CD2 PHE A 44 -5.964 -0.406 -13.282 1.00 3.42 C ATOM 713 CE1 PHE A 44 -8.370 -0.949 -14.517 1.00 0.52 C ATOM 714 CE2 PHE A 44 -7.108 0.260 -12.887 1.00 21.02 C ATOM 715 CZ PHE A 44 -8.312 -0.010 -13.507 1.00 33.12 C ATOM 0 H PHE A 44 -3.759 -3.458 -12.796 1.00 51.23 H new ATOM 0 HA PHE A 44 -5.886 -3.909 -14.771 1.00 24.51 H new ATOM 0 HB2 PHE A 44 -3.922 -1.714 -14.131 1.00 50.04 H new ATOM 0 HB3 PHE A 44 -4.549 -1.832 -15.763 1.00 50.04 H new ATOM 0 HD1 PHE A 44 -7.274 -2.347 -15.700 1.00 51.11 H new ATOM 0 HD2 PHE A 44 -5.025 -0.188 -12.796 1.00 3.42 H new ATOM 0 HE1 PHE A 44 -9.311 -1.164 -15.001 1.00 0.52 H new ATOM 0 HE2 PHE A 44 -7.061 0.991 -12.094 1.00 21.02 H new ATOM 0 HZ PHE A 44 -9.207 0.513 -13.202 1.00 33.12 H new ATOM 725 N ALA A 45 -3.314 -5.368 -15.166 1.00 60.41 N ATOM 726 CA ALA A 45 -2.411 -6.112 -16.035 1.00 71.32 C ATOM 727 C ALA A 45 -1.187 -5.277 -16.399 1.00 13.35 C ATOM 728 O ALA A 45 -0.470 -5.591 -17.349 1.00 32.21 O ATOM 729 CB ALA A 45 -3.139 -6.560 -17.292 1.00 34.14 C ATOM 0 H ALA A 45 -3.413 -5.757 -14.228 1.00 60.41 H new ATOM 0 HA ALA A 45 -2.069 -6.994 -15.493 1.00 71.32 H new ATOM 0 HB1 ALA A 45 -2.453 -7.114 -17.932 1.00 34.14 H new ATOM 0 HB2 ALA A 45 -3.977 -7.201 -17.018 1.00 34.14 H new ATOM 0 HB3 ALA A 45 -3.510 -5.687 -17.829 1.00 34.14 H new ATOM 735 N VAL A 46 -0.955 -4.212 -15.639 1.00 62.25 N ATOM 736 CA VAL A 46 0.182 -3.333 -15.881 1.00 73.20 C ATOM 737 C VAL A 46 1.082 -3.247 -14.654 1.00 62.34 C ATOM 738 O VAL A 46 0.630 -2.903 -13.563 1.00 63.11 O ATOM 739 CB VAL A 46 -0.278 -1.915 -16.267 1.00 35.51 C ATOM 740 CG1 VAL A 46 0.917 -0.984 -16.405 1.00 71.34 C ATOM 741 CG2 VAL A 46 -1.089 -1.949 -17.554 1.00 62.42 C ATOM 0 H VAL A 46 -1.540 -3.937 -14.850 1.00 62.25 H new ATOM 0 HA VAL A 46 0.744 -3.763 -16.710 1.00 73.20 H new ATOM 0 HB VAL A 46 -0.917 -1.531 -15.472 1.00 35.51 H new ATOM 0 HG11 VAL A 46 0.572 0.013 -16.678 1.00 71.34 H new ATOM 0 HG12 VAL A 46 1.452 -0.936 -15.457 1.00 71.34 H new ATOM 0 HG13 VAL A 46 1.585 -1.361 -17.179 1.00 71.34 H new ATOM 0 HG21 VAL A 46 -1.406 -0.938 -17.811 1.00 62.42 H new ATOM 0 HG22 VAL A 46 -0.476 -2.353 -18.360 1.00 62.42 H new ATOM 0 HG23 VAL A 46 -1.967 -2.580 -17.414 1.00 62.42 H new ATOM 751 N ASN A 47 2.359 -3.561 -14.841 1.00 5.33 N ATOM 752 CA ASN A 47 3.325 -3.519 -13.748 1.00 1.34 C ATOM 753 C ASN A 47 3.646 -2.080 -13.360 1.00 32.23 C ATOM 754 O ASN A 47 3.744 -1.190 -14.205 1.00 31.13 O ATOM 755 CB ASN A 47 4.609 -4.250 -14.147 1.00 52.44 C ATOM 756 CG ASN A 47 4.792 -5.552 -13.389 1.00 1.35 C ATOM 757 OD1 ASN A 47 4.028 -6.500 -13.570 1.00 4.23 O ATOM 758 ND2 ASN A 47 5.809 -5.602 -12.537 1.00 34.02 N ATOM 0 H ASN A 47 2.750 -3.847 -15.739 1.00 5.33 H new ATOM 0 HA ASN A 47 2.883 -4.018 -12.886 1.00 1.34 H new ATOM 0 HB2 ASN A 47 4.589 -4.455 -15.217 1.00 52.44 H new ATOM 0 HB3 ASN A 47 5.466 -3.602 -13.962 1.00 52.44 H new ATOM 0 HD21 ASN A 47 5.983 -6.451 -12.000 1.00 34.02 H new ATOM 0 HD22 ASN A 47 6.416 -4.791 -12.420 1.00 34.02 H new ATOM 765 N PRO A 48 3.814 -1.843 -12.050 1.00 53.41 N ATOM 766 CA PRO A 48 4.127 -0.513 -11.520 1.00 22.20 C ATOM 767 C PRO A 48 5.538 -0.062 -11.883 1.00 65.45 C ATOM 768 O PRO A 48 5.930 1.070 -11.603 1.00 34.54 O ATOM 769 CB PRO A 48 3.997 -0.695 -10.006 1.00 52.01 C ATOM 770 CG PRO A 48 4.249 -2.146 -9.775 1.00 23.45 C ATOM 771 CD PRO A 48 3.712 -2.856 -10.987 1.00 44.34 C ATOM 0 HA PRO A 48 3.469 0.254 -11.929 1.00 22.20 H new ATOM 0 HB2 PRO A 48 4.718 -0.078 -9.470 1.00 52.01 H new ATOM 0 HB3 PRO A 48 3.006 -0.405 -9.656 1.00 52.01 H new ATOM 0 HG2 PRO A 48 5.314 -2.342 -9.647 1.00 23.45 H new ATOM 0 HG3 PRO A 48 3.751 -2.489 -8.868 1.00 23.45 H new ATOM 0 HD2 PRO A 48 4.296 -3.746 -11.223 1.00 44.34 H new ATOM 0 HD3 PRO A 48 2.682 -3.181 -10.839 1.00 44.34 H new ATOM 779 N GLY A 49 6.298 -0.956 -12.508 1.00 42.22 N ATOM 780 CA GLY A 49 7.658 -0.630 -12.899 1.00 52.53 C ATOM 781 C GLY A 49 7.710 0.409 -14.000 1.00 22.23 C ATOM 782 O GLY A 49 8.745 1.041 -14.219 1.00 41.12 O ATOM 0 H GLY A 49 5.997 -1.900 -12.751 1.00 42.22 H new ATOM 0 HA2 GLY A 49 8.204 -0.262 -12.030 1.00 52.53 H new ATOM 0 HA3 GLY A 49 8.164 -1.536 -13.234 1.00 52.53 H new ATOM 786 N LEU A 50 6.593 0.588 -14.697 1.00 63.51 N ATOM 787 CA LEU A 50 6.517 1.558 -15.784 1.00 54.33 C ATOM 788 C LEU A 50 6.232 2.957 -15.246 1.00 25.23 C ATOM 789 O LEU A 50 6.438 3.954 -15.940 1.00 61.42 O ATOM 790 CB LEU A 50 5.430 1.151 -16.781 1.00 63.42 C ATOM 791 CG LEU A 50 5.342 -0.340 -17.107 1.00 24.30 C ATOM 792 CD1 LEU A 50 3.955 -0.694 -17.618 1.00 71.10 C ATOM 793 CD2 LEU A 50 6.403 -0.726 -18.127 1.00 25.43 C ATOM 0 H LEU A 50 5.728 0.074 -14.529 1.00 63.51 H new ATOM 0 HA LEU A 50 7.481 1.574 -16.293 1.00 54.33 H new ATOM 0 HB2 LEU A 50 4.466 1.474 -16.388 1.00 63.42 H new ATOM 0 HB3 LEU A 50 5.595 1.696 -17.710 1.00 63.42 H new ATOM 0 HG LEU A 50 5.524 -0.904 -16.192 1.00 24.30 H new ATOM 0 HD11 LEU A 50 3.912 -1.759 -17.845 1.00 71.10 H new ATOM 0 HD12 LEU A 50 3.214 -0.455 -16.855 1.00 71.10 H new ATOM 0 HD13 LEU A 50 3.743 -0.122 -18.521 1.00 71.10 H new ATOM 0 HD21 LEU A 50 6.326 -1.791 -18.347 1.00 25.43 H new ATOM 0 HD22 LEU A 50 6.253 -0.154 -19.043 1.00 25.43 H new ATOM 0 HD23 LEU A 50 7.392 -0.510 -17.723 1.00 25.43 H new ATOM 805 N LEU A 51 5.759 3.024 -14.007 1.00 70.22 N ATOM 806 CA LEU A 51 5.449 4.301 -13.374 1.00 30.53 C ATOM 807 C LEU A 51 6.719 5.106 -13.121 1.00 33.11 C ATOM 808 O LEU A 51 6.673 6.329 -12.984 1.00 52.32 O ATOM 809 CB LEU A 51 4.705 4.072 -12.056 1.00 34.44 C ATOM 810 CG LEU A 51 3.215 3.747 -12.175 1.00 4.24 C ATOM 811 CD1 LEU A 51 2.616 3.482 -10.802 1.00 31.51 C ATOM 812 CD2 LEU A 51 2.476 4.878 -12.874 1.00 53.41 C ATOM 0 H LEU A 51 5.582 2.209 -13.420 1.00 70.22 H new ATOM 0 HA LEU A 51 4.810 4.869 -14.051 1.00 30.53 H new ATOM 0 HB2 LEU A 51 5.193 3.256 -11.523 1.00 34.44 H new ATOM 0 HB3 LEU A 51 4.814 4.965 -11.440 1.00 34.44 H new ATOM 0 HG LEU A 51 3.106 2.844 -12.776 1.00 4.24 H new ATOM 0 HD11 LEU A 51 1.556 3.253 -10.906 1.00 31.51 H new ATOM 0 HD12 LEU A 51 3.126 2.637 -10.339 1.00 31.51 H new ATOM 0 HD13 LEU A 51 2.736 4.366 -10.176 1.00 31.51 H new ATOM 0 HD21 LEU A 51 1.418 4.629 -12.950 1.00 53.41 H new ATOM 0 HD22 LEU A 51 2.592 5.798 -12.301 1.00 53.41 H new ATOM 0 HD23 LEU A 51 2.888 5.019 -13.873 1.00 53.41 H new ATOM 824 N GLU A 52 7.851 4.413 -13.062 1.00 42.04 N ATOM 825 CA GLU A 52 9.134 5.066 -12.827 1.00 52.24 C ATOM 826 C GLU A 52 9.731 5.581 -14.134 1.00 55.04 C ATOM 827 O GLU A 52 10.749 6.272 -14.135 1.00 24.33 O ATOM 828 CB GLU A 52 10.109 4.095 -12.156 1.00 3.12 C ATOM 829 CG GLU A 52 10.543 2.950 -13.056 1.00 0.41 C ATOM 830 CD GLU A 52 12.049 2.784 -13.104 1.00 4.12 C ATOM 831 OE1 GLU A 52 12.723 3.649 -13.702 1.00 41.21 O ATOM 832 OE2 GLU A 52 12.555 1.789 -12.544 1.00 52.13 O ATOM 0 H GLU A 52 7.907 3.401 -13.173 1.00 42.04 H new ATOM 0 HA GLU A 52 8.965 5.916 -12.166 1.00 52.24 H new ATOM 0 HB2 GLU A 52 10.992 4.646 -11.832 1.00 3.12 H new ATOM 0 HB3 GLU A 52 9.642 3.685 -11.260 1.00 3.12 H new ATOM 0 HG2 GLU A 52 10.090 2.024 -12.703 1.00 0.41 H new ATOM 0 HG3 GLU A 52 10.168 3.124 -14.065 1.00 0.41 H new ATOM 839 N THR A 53 9.087 5.240 -15.246 1.00 4.21 N ATOM 840 CA THR A 53 9.553 5.666 -16.560 1.00 44.21 C ATOM 841 C THR A 53 8.516 6.542 -17.253 1.00 50.43 C ATOM 842 O THR A 53 7.395 6.105 -17.514 1.00 71.11 O ATOM 843 CB THR A 53 9.873 4.458 -17.461 1.00 41.32 C ATOM 844 OG1 THR A 53 8.659 3.850 -17.915 1.00 31.12 O ATOM 845 CG2 THR A 53 10.711 3.433 -16.713 1.00 2.51 C ATOM 0 H THR A 53 8.241 4.670 -15.263 1.00 4.21 H new ATOM 0 HA THR A 53 10.464 6.243 -16.401 1.00 44.21 H new ATOM 0 HB THR A 53 10.443 4.814 -18.319 1.00 41.32 H new ATOM 0 HG1 THR A 53 7.935 4.058 -17.288 1.00 31.12 H new ATOM 0 HG21 THR A 53 10.925 2.589 -17.369 1.00 2.51 H new ATOM 0 HG22 THR A 53 11.647 3.891 -16.395 1.00 2.51 H new ATOM 0 HG23 THR A 53 10.163 3.083 -15.838 1.00 2.51 H new ATOM 853 N SER A 54 8.899 7.780 -17.551 1.00 55.54 N ATOM 854 CA SER A 54 8.000 8.718 -18.212 1.00 20.31 C ATOM 855 C SER A 54 7.392 8.098 -19.465 1.00 13.04 C ATOM 856 O SER A 54 6.274 8.432 -19.856 1.00 15.15 O ATOM 857 CB SER A 54 8.747 10.002 -18.576 1.00 64.31 C ATOM 858 OG SER A 54 9.189 9.971 -19.923 1.00 72.14 O ATOM 0 H SER A 54 9.825 8.156 -17.345 1.00 55.54 H new ATOM 0 HA SER A 54 7.193 8.959 -17.519 1.00 20.31 H new ATOM 0 HB2 SER A 54 8.094 10.862 -18.424 1.00 64.31 H new ATOM 0 HB3 SER A 54 9.602 10.130 -17.912 1.00 64.31 H new ATOM 0 HG SER A 54 9.662 10.804 -20.131 1.00 72.14 H new ATOM 864 N GLU A 55 8.136 7.190 -20.090 1.00 25.43 N ATOM 865 CA GLU A 55 7.671 6.523 -21.300 1.00 44.11 C ATOM 866 C GLU A 55 6.701 5.395 -20.961 1.00 73.33 C ATOM 867 O GLU A 55 5.761 5.125 -21.707 1.00 50.31 O ATOM 868 CB GLU A 55 8.858 5.969 -22.092 1.00 35.22 C ATOM 869 CG GLU A 55 8.799 6.285 -23.577 1.00 4.12 C ATOM 870 CD GLU A 55 10.128 6.064 -24.273 1.00 3.40 C ATOM 871 OE1 GLU A 55 10.979 5.341 -23.712 1.00 73.54 O ATOM 872 OE2 GLU A 55 10.318 6.613 -25.378 1.00 44.10 O ATOM 0 H GLU A 55 9.063 6.900 -19.778 1.00 25.43 H new ATOM 0 HA GLU A 55 7.147 7.258 -21.911 1.00 44.11 H new ATOM 0 HB2 GLU A 55 9.781 6.376 -21.679 1.00 35.22 H new ATOM 0 HB3 GLU A 55 8.899 4.888 -21.960 1.00 35.22 H new ATOM 0 HG2 GLU A 55 8.039 5.662 -24.047 1.00 4.12 H new ATOM 0 HG3 GLU A 55 8.490 7.322 -23.712 1.00 4.12 H new ATOM 879 N GLY A 56 6.937 4.740 -19.828 1.00 62.43 N ATOM 880 CA GLY A 56 6.077 3.649 -19.409 1.00 21.33 C ATOM 881 C GLY A 56 4.762 4.136 -18.833 1.00 50.42 C ATOM 882 O GLY A 56 3.792 3.380 -18.758 1.00 23.35 O ATOM 0 H GLY A 56 7.708 4.946 -19.193 1.00 62.43 H new ATOM 0 HA2 GLY A 56 5.878 2.999 -20.261 1.00 21.33 H new ATOM 0 HA3 GLY A 56 6.596 3.047 -18.663 1.00 21.33 H new ATOM 886 N CYS A 57 4.729 5.399 -18.424 1.00 54.44 N ATOM 887 CA CYS A 57 3.523 5.985 -17.849 1.00 33.10 C ATOM 888 C CYS A 57 2.444 6.161 -18.912 1.00 54.11 C ATOM 889 O CYS A 57 1.268 5.893 -18.666 1.00 72.11 O ATOM 890 CB CYS A 57 3.845 7.333 -17.203 1.00 73.03 C ATOM 891 SG CYS A 57 3.422 7.431 -15.447 1.00 13.14 S ATOM 0 H CYS A 57 5.523 6.037 -18.480 1.00 54.44 H new ATOM 0 HA CYS A 57 3.146 5.305 -17.085 1.00 33.10 H new ATOM 0 HB2 CYS A 57 4.910 7.535 -17.321 1.00 73.03 H new ATOM 0 HB3 CYS A 57 3.310 8.117 -17.739 1.00 73.03 H new ATOM 0 HG CYS A 57 3.734 8.608 -14.991 1.00 13.14 H new ATOM 897 N ARG A 58 2.852 6.614 -20.093 1.00 12.33 N ATOM 898 CA ARG A 58 1.920 6.827 -21.193 1.00 73.52 C ATOM 899 C ARG A 58 1.057 5.591 -21.424 1.00 52.35 C ATOM 900 O ARG A 58 -0.157 5.693 -21.596 1.00 21.15 O ATOM 901 CB ARG A 58 2.680 7.179 -22.473 1.00 54.22 C ATOM 902 CG ARG A 58 2.294 8.527 -23.060 1.00 1.33 C ATOM 903 CD ARG A 58 2.303 8.495 -24.581 1.00 4.41 C ATOM 904 NE ARG A 58 1.864 9.762 -25.157 1.00 10.02 N ATOM 905 CZ ARG A 58 2.041 10.090 -26.432 1.00 31.21 C ATOM 906 NH1 ARG A 58 2.644 9.248 -27.259 1.00 2.25 N ATOM 907 NH2 ARG A 58 1.612 11.262 -26.883 1.00 62.23 N ATOM 0 H ARG A 58 3.822 6.841 -20.312 1.00 12.33 H new ATOM 0 HA ARG A 58 1.267 7.658 -20.926 1.00 73.52 H new ATOM 0 HB2 ARG A 58 3.749 7.177 -22.263 1.00 54.22 H new ATOM 0 HB3 ARG A 58 2.500 6.403 -23.217 1.00 54.22 H new ATOM 0 HG2 ARG A 58 1.302 8.808 -22.707 1.00 1.33 H new ATOM 0 HG3 ARG A 58 2.987 9.291 -22.707 1.00 1.33 H new ATOM 0 HD2 ARG A 58 3.309 8.266 -24.933 1.00 4.41 H new ATOM 0 HD3 ARG A 58 1.653 7.693 -24.931 1.00 4.41 H new ATOM 0 HE ARG A 58 1.396 10.432 -24.547 1.00 10.02 H new ATOM 0 HH11 ARG A 58 2.974 8.345 -26.917 1.00 2.25 H new ATOM 0 HH12 ARG A 58 2.778 9.503 -28.238 1.00 2.25 H new ATOM 0 HH21 ARG A 58 1.146 11.912 -26.250 1.00 62.23 H new ATOM 0 HH22 ARG A 58 1.749 11.513 -27.862 1.00 62.23 H new ATOM 921 N GLN A 59 1.694 4.424 -21.424 1.00 11.03 N ATOM 922 CA GLN A 59 0.984 3.167 -21.635 1.00 34.05 C ATOM 923 C GLN A 59 -0.218 3.058 -20.702 1.00 21.25 C ATOM 924 O GLN A 59 -1.227 2.442 -21.045 1.00 54.45 O ATOM 925 CB GLN A 59 1.925 1.983 -21.414 1.00 43.50 C ATOM 926 CG GLN A 59 2.184 1.168 -22.672 1.00 51.41 C ATOM 927 CD GLN A 59 2.571 2.030 -23.857 1.00 53.42 C ATOM 928 OE1 GLN A 59 3.630 2.658 -23.862 1.00 44.00 O ATOM 929 NE2 GLN A 59 1.713 2.065 -24.869 1.00 35.12 N ATOM 0 H GLN A 59 2.699 4.323 -21.281 1.00 11.03 H new ATOM 0 HA GLN A 59 0.625 3.149 -22.664 1.00 34.05 H new ATOM 0 HB2 GLN A 59 2.875 2.352 -21.028 1.00 43.50 H new ATOM 0 HB3 GLN A 59 1.502 1.331 -20.650 1.00 43.50 H new ATOM 0 HG2 GLN A 59 2.979 0.448 -22.477 1.00 51.41 H new ATOM 0 HG3 GLN A 59 1.290 0.596 -22.920 1.00 51.41 H new ATOM 0 HE21 GLN A 59 0.847 1.528 -24.822 1.00 35.12 H new ATOM 0 HE22 GLN A 59 1.920 2.628 -25.694 1.00 35.12 H new ATOM 938 N ILE A 60 -0.102 3.658 -19.523 1.00 23.23 N ATOM 939 CA ILE A 60 -1.179 3.629 -18.541 1.00 12.35 C ATOM 940 C ILE A 60 -2.266 4.641 -18.887 1.00 22.24 C ATOM 941 O ILE A 60 -3.456 4.374 -18.716 1.00 44.11 O ATOM 942 CB ILE A 60 -0.656 3.919 -17.123 1.00 50.44 C ATOM 943 CG1 ILE A 60 0.402 2.887 -16.725 1.00 52.34 C ATOM 944 CG2 ILE A 60 -1.805 3.919 -16.125 1.00 43.52 C ATOM 945 CD1 ILE A 60 1.318 3.357 -15.618 1.00 63.35 C ATOM 0 H ILE A 60 0.728 4.171 -19.224 1.00 23.23 H new ATOM 0 HA ILE A 60 -1.601 2.624 -18.565 1.00 12.35 H new ATOM 0 HB ILE A 60 -0.194 4.906 -17.117 1.00 50.44 H new ATOM 0 HG12 ILE A 60 -0.097 1.971 -16.408 1.00 52.34 H new ATOM 0 HG13 ILE A 60 1.002 2.637 -17.600 1.00 52.34 H new ATOM 0 HG21 ILE A 60 -1.420 4.125 -15.127 1.00 43.52 H new ATOM 0 HG22 ILE A 60 -2.527 4.687 -16.401 1.00 43.52 H new ATOM 0 HG23 ILE A 60 -2.292 2.944 -16.131 1.00 43.52 H new ATOM 0 HD11 ILE A 60 2.042 2.575 -15.388 1.00 63.35 H new ATOM 0 HD12 ILE A 60 1.844 4.256 -15.938 1.00 63.35 H new ATOM 0 HD13 ILE A 60 0.729 3.579 -14.728 1.00 63.35 H new ATOM 957 N LEU A 61 -1.849 5.804 -19.377 1.00 54.13 N ATOM 958 CA LEU A 61 -2.787 6.857 -19.750 1.00 52.43 C ATOM 959 C LEU A 61 -3.522 6.502 -21.038 1.00 3.04 C ATOM 960 O LEU A 61 -4.644 6.948 -21.269 1.00 12.31 O ATOM 961 CB LEU A 61 -2.050 8.187 -19.918 1.00 33.05 C ATOM 962 CG LEU A 61 -1.420 8.771 -18.654 1.00 41.43 C ATOM 963 CD1 LEU A 61 -0.386 9.826 -19.011 1.00 31.34 C ATOM 964 CD2 LEU A 61 -2.491 9.357 -17.746 1.00 71.11 C ATOM 0 H LEU A 61 -0.868 6.041 -19.525 1.00 54.13 H new ATOM 0 HA LEU A 61 -3.522 6.955 -18.951 1.00 52.43 H new ATOM 0 HB2 LEU A 61 -1.265 8.053 -20.662 1.00 33.05 H new ATOM 0 HB3 LEU A 61 -2.750 8.918 -20.322 1.00 33.05 H new ATOM 0 HG LEU A 61 -0.917 7.967 -18.117 1.00 41.43 H new ATOM 0 HD11 LEU A 61 0.052 10.230 -18.098 1.00 31.34 H new ATOM 0 HD12 LEU A 61 0.398 9.376 -19.621 1.00 31.34 H new ATOM 0 HD13 LEU A 61 -0.864 10.630 -19.571 1.00 31.34 H new ATOM 0 HD21 LEU A 61 -2.024 9.768 -16.851 1.00 71.11 H new ATOM 0 HD22 LEU A 61 -3.023 10.148 -18.274 1.00 71.11 H new ATOM 0 HD23 LEU A 61 -3.195 8.575 -17.461 1.00 71.11 H new ATOM 976 N GLY A 62 -2.879 5.693 -21.876 1.00 50.42 N ATOM 977 CA GLY A 62 -3.487 5.289 -23.130 1.00 43.33 C ATOM 978 C GLY A 62 -4.612 4.292 -22.934 1.00 14.41 C ATOM 979 O GLY A 62 -5.525 4.209 -23.756 1.00 75.53 O ATOM 0 H GLY A 62 -1.948 5.311 -21.708 1.00 50.42 H new ATOM 0 HA2 GLY A 62 -3.872 6.170 -23.644 1.00 43.33 H new ATOM 0 HA3 GLY A 62 -2.725 4.851 -23.775 1.00 43.33 H new ATOM 983 N GLN A 63 -4.546 3.533 -21.846 1.00 52.15 N ATOM 984 CA GLN A 63 -5.567 2.535 -21.547 1.00 22.43 C ATOM 985 C GLN A 63 -6.748 3.166 -20.818 1.00 11.40 C ATOM 986 O GLN A 63 -7.823 2.571 -20.724 1.00 25.24 O ATOM 987 CB GLN A 63 -4.974 1.405 -20.702 1.00 25.32 C ATOM 988 CG GLN A 63 -4.644 0.156 -21.503 1.00 24.11 C ATOM 989 CD GLN A 63 -4.942 -1.120 -20.741 1.00 4.53 C ATOM 990 OE1 GLN A 63 -5.024 -1.120 -19.512 1.00 22.43 O ATOM 991 NE2 GLN A 63 -5.107 -2.219 -21.469 1.00 62.23 N ATOM 0 H GLN A 63 -3.797 3.589 -21.156 1.00 52.15 H new ATOM 0 HA GLN A 63 -5.925 2.124 -22.491 1.00 22.43 H new ATOM 0 HB2 GLN A 63 -4.068 1.764 -20.215 1.00 25.32 H new ATOM 0 HB3 GLN A 63 -5.679 1.145 -19.912 1.00 25.32 H new ATOM 0 HG2 GLN A 63 -5.215 0.162 -22.431 1.00 24.11 H new ATOM 0 HG3 GLN A 63 -3.589 0.173 -21.778 1.00 24.11 H new ATOM 0 HE21 GLN A 63 -5.030 -2.174 -22.485 1.00 62.23 H new ATOM 0 HE22 GLN A 63 -5.310 -3.108 -21.012 1.00 62.23 H new ATOM 1000 N LEU A 64 -6.542 4.372 -20.302 1.00 22.32 N ATOM 1001 CA LEU A 64 -7.590 5.085 -19.580 1.00 54.54 C ATOM 1002 C LEU A 64 -8.213 6.169 -20.453 1.00 34.13 C ATOM 1003 O LEU A 64 -9.419 6.405 -20.399 1.00 13.23 O ATOM 1004 CB LEU A 64 -7.024 5.707 -18.301 1.00 0.45 C ATOM 1005 CG LEU A 64 -6.320 4.745 -17.342 1.00 20.52 C ATOM 1006 CD1 LEU A 64 -5.604 5.516 -16.245 1.00 62.14 C ATOM 1007 CD2 LEU A 64 -7.317 3.764 -16.744 1.00 74.24 C ATOM 0 H LEU A 64 -5.659 4.877 -20.370 1.00 22.32 H new ATOM 0 HA LEU A 64 -8.366 4.367 -19.315 1.00 54.54 H new ATOM 0 HB2 LEU A 64 -6.319 6.489 -18.582 1.00 0.45 H new ATOM 0 HB3 LEU A 64 -7.840 6.191 -17.764 1.00 0.45 H new ATOM 0 HG LEU A 64 -5.577 4.179 -17.904 1.00 20.52 H new ATOM 0 HD11 LEU A 64 -5.109 4.816 -15.572 1.00 62.14 H new ATOM 0 HD12 LEU A 64 -4.861 6.178 -16.691 1.00 62.14 H new ATOM 0 HD13 LEU A 64 -6.328 6.108 -15.684 1.00 62.14 H new ATOM 0 HD21 LEU A 64 -6.799 3.087 -16.064 1.00 74.24 H new ATOM 0 HD22 LEU A 64 -8.083 4.312 -16.196 1.00 74.24 H new ATOM 0 HD23 LEU A 64 -7.785 3.188 -17.543 1.00 74.24 H new ATOM 1019 N GLN A 65 -7.382 6.823 -21.258 1.00 63.13 N ATOM 1020 CA GLN A 65 -7.852 7.882 -22.144 1.00 12.45 C ATOM 1021 C GLN A 65 -9.135 7.465 -22.856 1.00 72.34 C ATOM 1022 O GLN A 65 -10.185 8.093 -22.714 1.00 63.00 O ATOM 1023 CB GLN A 65 -6.775 8.231 -23.173 1.00 40.12 C ATOM 1024 CG GLN A 65 -6.254 9.653 -23.048 1.00 22.13 C ATOM 1025 CD GLN A 65 -5.527 10.119 -24.295 1.00 73.52 C ATOM 1026 OE1 GLN A 65 -6.063 10.052 -25.401 1.00 4.12 O ATOM 1027 NE2 GLN A 65 -4.300 10.596 -24.121 1.00 71.20 N ATOM 0 H GLN A 65 -6.380 6.639 -21.315 1.00 63.13 H new ATOM 0 HA GLN A 65 -8.063 8.762 -21.537 1.00 12.45 H new ATOM 0 HB2 GLN A 65 -5.942 7.537 -23.065 1.00 40.12 H new ATOM 0 HB3 GLN A 65 -7.181 8.088 -24.174 1.00 40.12 H new ATOM 0 HG2 GLN A 65 -7.088 10.325 -22.845 1.00 22.13 H new ATOM 0 HG3 GLN A 65 -5.580 9.715 -22.194 1.00 22.13 H new ATOM 0 HE21 GLN A 65 -3.895 10.633 -23.186 1.00 71.20 H new ATOM 0 HE22 GLN A 65 -3.762 10.926 -24.923 1.00 71.20 H new ATOM 1036 N PRO A 66 -9.052 6.381 -23.641 1.00 40.31 N ATOM 1037 CA PRO A 66 -10.197 5.856 -24.390 1.00 34.11 C ATOM 1038 C PRO A 66 -11.252 5.236 -23.479 1.00 21.44 C ATOM 1039 O PRO A 66 -12.333 4.860 -23.931 1.00 13.11 O ATOM 1040 CB PRO A 66 -9.574 4.787 -25.290 1.00 25.22 C ATOM 1041 CG PRO A 66 -8.340 4.361 -24.572 1.00 71.00 C ATOM 1042 CD PRO A 66 -7.834 5.583 -23.857 1.00 1.42 C ATOM 0 HA PRO A 66 -10.719 6.641 -24.937 1.00 34.11 H new ATOM 0 HB2 PRO A 66 -10.255 3.949 -25.439 1.00 25.22 H new ATOM 0 HB3 PRO A 66 -9.340 5.187 -26.277 1.00 25.22 H new ATOM 0 HG2 PRO A 66 -8.556 3.558 -23.867 1.00 71.00 H new ATOM 0 HG3 PRO A 66 -7.594 3.980 -25.270 1.00 71.00 H new ATOM 0 HD2 PRO A 66 -7.350 5.326 -22.915 1.00 1.42 H new ATOM 0 HD3 PRO A 66 -7.100 6.124 -24.455 1.00 1.42 H new ATOM 1050 N SER A 67 -10.930 5.134 -22.194 1.00 63.42 N ATOM 1051 CA SER A 67 -11.849 4.557 -21.219 1.00 2.22 C ATOM 1052 C SER A 67 -12.548 5.650 -20.418 1.00 73.23 C ATOM 1053 O SER A 67 -13.542 5.397 -19.736 1.00 43.20 O ATOM 1054 CB SER A 67 -11.098 3.617 -20.274 1.00 62.43 C ATOM 1055 OG SER A 67 -10.403 2.616 -20.996 1.00 44.33 O ATOM 0 H SER A 67 -10.040 5.443 -21.803 1.00 63.42 H new ATOM 0 HA SER A 67 -12.605 3.989 -21.761 1.00 2.22 H new ATOM 0 HB2 SER A 67 -10.394 4.190 -19.671 1.00 62.43 H new ATOM 0 HB3 SER A 67 -11.802 3.150 -19.585 1.00 62.43 H new ATOM 0 HG SER A 67 -9.438 2.762 -20.911 1.00 44.33 H new ATOM 1061 N LEU A 68 -12.023 6.867 -20.506 1.00 74.54 N ATOM 1062 CA LEU A 68 -12.597 8.001 -19.790 1.00 11.11 C ATOM 1063 C LEU A 68 -14.099 8.097 -20.035 1.00 70.11 C ATOM 1064 O LEU A 68 -14.833 8.669 -19.230 1.00 50.15 O ATOM 1065 CB LEU A 68 -11.914 9.300 -20.221 1.00 31.32 C ATOM 1066 CG LEU A 68 -10.570 9.605 -19.560 1.00 41.12 C ATOM 1067 CD1 LEU A 68 -9.840 10.705 -20.314 1.00 43.21 C ATOM 1068 CD2 LEU A 68 -10.770 9.996 -18.103 1.00 61.31 C ATOM 0 H LEU A 68 -11.201 7.094 -21.066 1.00 74.54 H new ATOM 0 HA LEU A 68 -12.431 7.847 -18.724 1.00 11.11 H new ATOM 0 HB2 LEU A 68 -11.766 9.268 -21.300 1.00 31.32 H new ATOM 0 HB3 LEU A 68 -12.592 10.128 -20.017 1.00 31.32 H new ATOM 0 HG LEU A 68 -9.958 8.704 -19.594 1.00 41.12 H new ATOM 0 HD11 LEU A 68 -8.886 10.908 -19.828 1.00 43.21 H new ATOM 0 HD12 LEU A 68 -9.664 10.387 -21.341 1.00 43.21 H new ATOM 0 HD13 LEU A 68 -10.447 11.611 -20.314 1.00 43.21 H new ATOM 0 HD21 LEU A 68 -9.803 10.210 -17.648 1.00 61.31 H new ATOM 0 HD22 LEU A 68 -11.401 10.883 -18.048 1.00 61.31 H new ATOM 0 HD23 LEU A 68 -11.249 9.176 -17.569 1.00 61.31 H new ATOM 1080 N GLN A 69 -14.549 7.532 -21.151 1.00 62.43 N ATOM 1081 CA GLN A 69 -15.964 7.553 -21.501 1.00 31.22 C ATOM 1082 C GLN A 69 -16.662 6.285 -21.020 1.00 12.11 C ATOM 1083 O GLN A 69 -17.782 6.334 -20.511 1.00 34.03 O ATOM 1084 CB GLN A 69 -16.135 7.702 -23.013 1.00 2.14 C ATOM 1085 CG GLN A 69 -17.486 8.266 -23.421 1.00 50.23 C ATOM 1086 CD GLN A 69 -18.300 7.292 -24.249 1.00 61.42 C ATOM 1087 OE1 GLN A 69 -17.751 6.513 -25.029 1.00 72.13 O ATOM 1088 NE2 GLN A 69 -19.617 7.331 -24.085 1.00 53.32 N ATOM 0 H GLN A 69 -13.954 7.054 -21.828 1.00 62.43 H new ATOM 0 HA GLN A 69 -16.423 8.409 -21.005 1.00 31.22 H new ATOM 0 HB2 GLN A 69 -15.349 8.352 -23.397 1.00 2.14 H new ATOM 0 HB3 GLN A 69 -16.001 6.728 -23.483 1.00 2.14 H new ATOM 0 HG2 GLN A 69 -18.048 8.535 -22.527 1.00 50.23 H new ATOM 0 HG3 GLN A 69 -17.335 9.183 -23.990 1.00 50.23 H new ATOM 0 HE21 GLN A 69 -20.030 7.993 -23.428 1.00 53.32 H new ATOM 0 HE22 GLN A 69 -20.216 6.699 -24.616 1.00 53.32 H new ATOM 1097 N THR A 70 -15.992 5.148 -21.186 1.00 54.24 N ATOM 1098 CA THR A 70 -16.550 3.867 -20.770 1.00 44.51 C ATOM 1099 C THR A 70 -16.569 3.742 -19.252 1.00 50.25 C ATOM 1100 O THR A 70 -17.619 3.518 -18.650 1.00 54.11 O ATOM 1101 CB THR A 70 -15.750 2.690 -21.361 1.00 42.34 C ATOM 1102 OG1 THR A 70 -14.377 2.782 -20.964 1.00 44.33 O ATOM 1103 CG2 THR A 70 -15.846 2.677 -22.878 1.00 45.20 C ATOM 0 H THR A 70 -15.064 5.089 -21.605 1.00 54.24 H new ATOM 0 HA THR A 70 -17.572 3.829 -21.147 1.00 44.51 H new ATOM 0 HB THR A 70 -16.176 1.762 -20.979 1.00 42.34 H new ATOM 0 HG1 THR A 70 -13.876 2.030 -21.342 1.00 44.33 H new ATOM 0 HG21 THR A 70 -15.273 1.837 -23.272 1.00 45.20 H new ATOM 0 HG22 THR A 70 -16.890 2.576 -23.176 1.00 45.20 H new ATOM 0 HG23 THR A 70 -15.444 3.609 -23.276 1.00 45.20 H new ATOM 1111 N GLY A 71 -15.400 3.888 -18.635 1.00 73.23 N ATOM 1112 CA GLY A 71 -15.306 3.790 -17.190 1.00 55.02 C ATOM 1113 C GLY A 71 -16.062 4.897 -16.482 1.00 43.12 C ATOM 1114 O GLY A 71 -16.455 5.885 -17.103 1.00 1.31 O ATOM 0 H GLY A 71 -14.517 4.072 -19.110 1.00 73.23 H new ATOM 0 HA2 GLY A 71 -15.697 2.825 -16.868 1.00 55.02 H new ATOM 0 HA3 GLY A 71 -14.257 3.824 -16.894 1.00 55.02 H new ATOM 1118 N SER A 72 -16.267 4.733 -15.179 1.00 32.35 N ATOM 1119 CA SER A 72 -16.986 5.724 -14.387 1.00 25.43 C ATOM 1120 C SER A 72 -16.021 6.741 -13.785 1.00 34.41 C ATOM 1121 O SER A 72 -14.885 6.878 -14.238 1.00 54.03 O ATOM 1122 CB SER A 72 -17.783 5.039 -13.275 1.00 32.34 C ATOM 1123 OG SER A 72 -16.971 4.803 -12.138 1.00 10.12 O ATOM 0 H SER A 72 -15.945 3.923 -14.649 1.00 32.35 H new ATOM 0 HA SER A 72 -17.676 6.250 -15.047 1.00 25.43 H new ATOM 0 HB2 SER A 72 -18.633 5.661 -12.996 1.00 32.34 H new ATOM 0 HB3 SER A 72 -18.186 4.095 -13.641 1.00 32.34 H new ATOM 0 HG SER A 72 -17.503 4.366 -11.441 1.00 10.12 H new ATOM 1129 N GLU A 73 -16.484 7.452 -12.762 1.00 63.11 N ATOM 1130 CA GLU A 73 -15.663 8.458 -12.097 1.00 3.01 C ATOM 1131 C GLU A 73 -14.431 7.821 -11.461 1.00 2.22 C ATOM 1132 O GLU A 73 -13.447 8.501 -11.173 1.00 72.41 O ATOM 1133 CB GLU A 73 -16.479 9.192 -11.032 1.00 42.14 C ATOM 1134 CG GLU A 73 -16.054 10.637 -10.827 1.00 10.15 C ATOM 1135 CD GLU A 73 -15.766 10.961 -9.374 1.00 11.45 C ATOM 1136 OE1 GLU A 73 -16.510 10.472 -8.499 1.00 64.00 O ATOM 1137 OE2 GLU A 73 -14.797 11.703 -9.113 1.00 22.11 O ATOM 0 H GLU A 73 -17.422 7.350 -12.376 1.00 63.11 H new ATOM 0 HA GLU A 73 -15.333 9.175 -12.849 1.00 3.01 H new ATOM 0 HB2 GLU A 73 -17.532 9.168 -11.313 1.00 42.14 H new ATOM 0 HB3 GLU A 73 -16.389 8.658 -10.086 1.00 42.14 H new ATOM 0 HG2 GLU A 73 -15.164 10.838 -11.423 1.00 10.15 H new ATOM 0 HG3 GLU A 73 -16.839 11.298 -11.194 1.00 10.15 H new ATOM 1144 N GLU A 74 -14.494 6.510 -11.246 1.00 13.11 N ATOM 1145 CA GLU A 74 -13.384 5.782 -10.643 1.00 43.42 C ATOM 1146 C GLU A 74 -12.161 5.799 -11.555 1.00 13.42 C ATOM 1147 O GLU A 74 -11.025 5.679 -11.094 1.00 74.34 O ATOM 1148 CB GLU A 74 -13.794 4.337 -10.348 1.00 61.51 C ATOM 1149 CG GLU A 74 -14.418 4.149 -8.975 1.00 30.44 C ATOM 1150 CD GLU A 74 -14.965 2.750 -8.770 1.00 61.12 C ATOM 1151 OE1 GLU A 74 -14.174 1.787 -8.851 1.00 50.13 O ATOM 1152 OE2 GLU A 74 -16.183 2.618 -8.528 1.00 22.44 O ATOM 0 H GLU A 74 -15.301 5.932 -11.480 1.00 13.11 H new ATOM 0 HA GLU A 74 -13.124 6.277 -9.708 1.00 43.42 H new ATOM 0 HB2 GLU A 74 -14.502 4.007 -11.108 1.00 61.51 H new ATOM 0 HB3 GLU A 74 -12.917 3.695 -10.430 1.00 61.51 H new ATOM 0 HG2 GLU A 74 -13.672 4.359 -8.209 1.00 30.44 H new ATOM 0 HG3 GLU A 74 -15.222 4.873 -8.843 1.00 30.44 H new ATOM 1159 N LEU A 75 -12.402 5.949 -12.853 1.00 3.34 N ATOM 1160 CA LEU A 75 -11.322 5.981 -13.833 1.00 61.13 C ATOM 1161 C LEU A 75 -10.759 7.391 -13.976 1.00 61.41 C ATOM 1162 O LEU A 75 -9.600 7.574 -14.350 1.00 1.52 O ATOM 1163 CB LEU A 75 -11.820 5.479 -15.189 1.00 75.13 C ATOM 1164 CG LEU A 75 -10.742 5.166 -16.227 1.00 53.44 C ATOM 1165 CD1 LEU A 75 -10.758 3.687 -16.583 1.00 64.32 C ATOM 1166 CD2 LEU A 75 -10.937 6.018 -17.473 1.00 0.30 C ATOM 0 H LEU A 75 -13.336 6.050 -13.251 1.00 3.34 H new ATOM 0 HA LEU A 75 -10.526 5.325 -13.481 1.00 61.13 H new ATOM 0 HB2 LEU A 75 -12.411 4.578 -15.025 1.00 75.13 H new ATOM 0 HB3 LEU A 75 -12.492 6.229 -15.607 1.00 75.13 H new ATOM 0 HG LEU A 75 -9.770 5.405 -15.796 1.00 53.44 H new ATOM 0 HD11 LEU A 75 -9.984 3.482 -17.323 1.00 64.32 H new ATOM 0 HD12 LEU A 75 -10.569 3.095 -15.687 1.00 64.32 H new ATOM 0 HD13 LEU A 75 -11.732 3.422 -16.994 1.00 64.32 H new ATOM 0 HD21 LEU A 75 -10.161 5.782 -18.201 1.00 0.30 H new ATOM 0 HD22 LEU A 75 -11.916 5.811 -17.906 1.00 0.30 H new ATOM 0 HD23 LEU A 75 -10.875 7.073 -17.206 1.00 0.30 H new ATOM 1178 N ARG A 76 -11.585 8.387 -13.673 1.00 15.11 N ATOM 1179 CA ARG A 76 -11.170 9.782 -13.767 1.00 45.42 C ATOM 1180 C ARG A 76 -10.068 10.089 -12.756 1.00 23.44 C ATOM 1181 O ARG A 76 -9.099 10.779 -13.071 1.00 24.01 O ATOM 1182 CB ARG A 76 -12.364 10.708 -13.533 1.00 61.44 C ATOM 1183 CG ARG A 76 -12.626 11.666 -14.683 1.00 32.14 C ATOM 1184 CD ARG A 76 -12.342 13.106 -14.286 1.00 71.32 C ATOM 1185 NE ARG A 76 -12.406 14.012 -15.430 1.00 51.12 N ATOM 1186 CZ ARG A 76 -11.481 14.059 -16.382 1.00 13.22 C ATOM 1187 NH1 ARG A 76 -10.429 13.255 -16.329 1.00 10.23 N ATOM 1188 NH2 ARG A 76 -11.610 14.911 -17.392 1.00 44.14 N ATOM 0 H ARG A 76 -12.547 8.254 -13.360 1.00 15.11 H new ATOM 0 HA ARG A 76 -10.778 9.953 -14.770 1.00 45.42 H new ATOM 0 HB2 ARG A 76 -13.255 10.103 -13.365 1.00 61.44 H new ATOM 0 HB3 ARG A 76 -12.194 11.284 -12.623 1.00 61.44 H new ATOM 0 HG2 ARG A 76 -12.003 11.393 -15.534 1.00 32.14 H new ATOM 0 HG3 ARG A 76 -13.663 11.574 -15.005 1.00 32.14 H new ATOM 0 HD2 ARG A 76 -13.062 13.423 -13.532 1.00 71.32 H new ATOM 0 HD3 ARG A 76 -11.354 13.168 -13.829 1.00 71.32 H new ATOM 0 HE ARG A 76 -13.204 14.643 -15.502 1.00 51.12 H new ATOM 0 HH11 ARG A 76 -10.328 12.598 -15.556 1.00 10.23 H new ATOM 0 HH12 ARG A 76 -9.720 13.293 -17.062 1.00 10.23 H new ATOM 0 HH21 ARG A 76 -12.420 15.530 -17.437 1.00 44.14 H new ATOM 0 HH22 ARG A 76 -10.899 14.947 -18.123 1.00 44.14 H new ATOM 1202 N SER A 77 -10.225 9.572 -11.542 1.00 71.32 N ATOM 1203 CA SER A 77 -9.246 9.796 -10.484 1.00 14.34 C ATOM 1204 C SER A 77 -7.868 9.295 -10.905 1.00 4.13 C ATOM 1205 O SER A 77 -6.851 9.932 -10.626 1.00 3.23 O ATOM 1206 CB SER A 77 -9.685 9.094 -9.197 1.00 20.15 C ATOM 1207 OG SER A 77 -10.490 9.946 -8.401 1.00 34.52 O ATOM 0 H SER A 77 -11.020 8.996 -11.266 1.00 71.32 H new ATOM 0 HA SER A 77 -9.184 10.869 -10.301 1.00 14.34 H new ATOM 0 HB2 SER A 77 -10.241 8.189 -9.444 1.00 20.15 H new ATOM 0 HB3 SER A 77 -8.807 8.784 -8.630 1.00 20.15 H new ATOM 0 HG SER A 77 -10.759 9.474 -7.585 1.00 34.52 H new ATOM 1213 N LEU A 78 -7.842 8.150 -11.578 1.00 51.24 N ATOM 1214 CA LEU A 78 -6.589 7.562 -12.038 1.00 13.34 C ATOM 1215 C LEU A 78 -5.944 8.428 -13.116 1.00 12.45 C ATOM 1216 O LEU A 78 -4.784 8.822 -12.998 1.00 33.12 O ATOM 1217 CB LEU A 78 -6.833 6.151 -12.580 1.00 71.42 C ATOM 1218 CG LEU A 78 -6.316 5.001 -11.715 1.00 61.51 C ATOM 1219 CD1 LEU A 78 -4.851 5.214 -11.366 1.00 32.20 C ATOM 1220 CD2 LEU A 78 -7.153 4.866 -10.451 1.00 11.21 C ATOM 0 H LEU A 78 -8.674 7.611 -11.817 1.00 51.24 H new ATOM 0 HA LEU A 78 -5.909 7.506 -11.188 1.00 13.34 H new ATOM 0 HB2 LEU A 78 -7.906 6.018 -12.722 1.00 71.42 H new ATOM 0 HB3 LEU A 78 -6.369 6.076 -13.564 1.00 71.42 H new ATOM 0 HG LEU A 78 -6.403 4.076 -12.284 1.00 61.51 H new ATOM 0 HD11 LEU A 78 -4.500 4.386 -10.750 1.00 32.20 H new ATOM 0 HD12 LEU A 78 -4.262 5.260 -12.282 1.00 32.20 H new ATOM 0 HD13 LEU A 78 -4.740 6.148 -10.816 1.00 32.20 H new ATOM 0 HD21 LEU A 78 -6.771 4.043 -9.848 1.00 11.21 H new ATOM 0 HD22 LEU A 78 -7.099 5.792 -9.878 1.00 11.21 H new ATOM 0 HD23 LEU A 78 -8.190 4.667 -10.721 1.00 11.21 H new ATOM 1232 N TYR A 79 -6.704 8.720 -14.165 1.00 75.22 N ATOM 1233 CA TYR A 79 -6.208 9.540 -15.264 1.00 10.11 C ATOM 1234 C TYR A 79 -5.610 10.844 -14.745 1.00 41.31 C ATOM 1235 O TYR A 79 -4.448 11.155 -15.007 1.00 50.24 O ATOM 1236 CB TYR A 79 -7.336 9.842 -16.253 1.00 4.52 C ATOM 1237 CG TYR A 79 -6.847 10.360 -17.587 1.00 12.10 C ATOM 1238 CD1 TYR A 79 -6.083 9.560 -18.428 1.00 33.12 C ATOM 1239 CD2 TYR A 79 -7.150 11.650 -18.007 1.00 12.31 C ATOM 1240 CE1 TYR A 79 -5.635 10.029 -19.647 1.00 22.22 C ATOM 1241 CE2 TYR A 79 -6.707 12.126 -19.225 1.00 34.43 C ATOM 1242 CZ TYR A 79 -5.950 11.314 -20.041 1.00 0.42 C ATOM 1243 OH TYR A 79 -5.505 11.785 -21.255 1.00 32.21 O ATOM 0 H TYR A 79 -7.666 8.401 -14.278 1.00 75.22 H new ATOM 0 HA TYR A 79 -5.425 8.980 -15.775 1.00 10.11 H new ATOM 0 HB2 TYR A 79 -7.918 8.935 -16.416 1.00 4.52 H new ATOM 0 HB3 TYR A 79 -8.009 10.577 -15.811 1.00 4.52 H new ATOM 0 HD1 TYR A 79 -5.835 8.554 -18.123 1.00 33.12 H new ATOM 0 HD2 TYR A 79 -7.742 12.291 -17.370 1.00 12.31 H new ATOM 0 HE1 TYR A 79 -5.042 9.394 -20.288 1.00 22.22 H new ATOM 0 HE2 TYR A 79 -6.953 13.130 -19.537 1.00 34.43 H new ATOM 0 HH TYR A 79 -5.814 12.706 -21.382 1.00 32.21 H new ATOM 1253 N ASN A 80 -6.413 11.602 -14.005 1.00 64.32 N ATOM 1254 CA ASN A 80 -5.963 12.873 -13.447 1.00 13.33 C ATOM 1255 C ASN A 80 -4.651 12.700 -12.689 1.00 32.33 C ATOM 1256 O ASN A 80 -3.664 13.383 -12.970 1.00 2.55 O ATOM 1257 CB ASN A 80 -7.031 13.450 -12.516 1.00 61.51 C ATOM 1258 CG ASN A 80 -8.304 13.819 -13.255 1.00 72.34 C ATOM 1259 OD1 ASN A 80 -8.375 13.720 -14.479 1.00 35.22 O ATOM 1260 ND2 ASN A 80 -9.316 14.248 -12.510 1.00 51.32 N ATOM 0 H ASN A 80 -7.377 11.359 -13.778 1.00 64.32 H new ATOM 0 HA ASN A 80 -5.796 13.566 -14.272 1.00 13.33 H new ATOM 0 HB2 ASN A 80 -7.263 12.722 -11.739 1.00 61.51 H new ATOM 0 HB3 ASN A 80 -6.635 14.334 -12.017 1.00 61.51 H new ATOM 0 HD21 ASN A 80 -10.198 14.512 -12.950 1.00 51.32 H new ATOM 0 HD22 ASN A 80 -9.212 14.314 -11.497 1.00 51.32 H new ATOM 1267 N THR A 81 -4.646 11.784 -11.726 1.00 61.10 N ATOM 1268 CA THR A 81 -3.456 11.522 -10.927 1.00 60.14 C ATOM 1269 C THR A 81 -2.270 11.155 -11.810 1.00 24.45 C ATOM 1270 O THR A 81 -1.251 11.848 -11.819 1.00 40.25 O ATOM 1271 CB THR A 81 -3.697 10.387 -9.914 1.00 71.11 C ATOM 1272 OG1 THR A 81 -4.869 10.663 -9.139 1.00 51.30 O ATOM 1273 CG2 THR A 81 -2.500 10.221 -8.992 1.00 45.45 C ATOM 0 H THR A 81 -5.453 11.211 -11.481 1.00 61.10 H new ATOM 0 HA THR A 81 -3.232 12.441 -10.385 1.00 60.14 H new ATOM 0 HB THR A 81 -3.839 9.459 -10.468 1.00 71.11 H new ATOM 0 HG1 THR A 81 -5.649 10.252 -9.568 1.00 51.30 H new ATOM 0 HG21 THR A 81 -2.694 9.414 -8.286 1.00 45.45 H new ATOM 0 HG22 THR A 81 -1.616 9.981 -9.583 1.00 45.45 H new ATOM 0 HG23 THR A 81 -2.330 11.149 -8.445 1.00 45.45 H new ATOM 1281 N ILE A 82 -2.407 10.062 -12.554 1.00 22.23 N ATOM 1282 CA ILE A 82 -1.347 9.605 -13.444 1.00 62.24 C ATOM 1283 C ILE A 82 -0.833 10.744 -14.317 1.00 23.45 C ATOM 1284 O ILE A 82 0.374 10.905 -14.499 1.00 42.22 O ATOM 1285 CB ILE A 82 -1.827 8.456 -14.349 1.00 60.11 C ATOM 1286 CG1 ILE A 82 -2.299 7.273 -13.501 1.00 52.42 C ATOM 1287 CG2 ILE A 82 -0.716 8.026 -15.295 1.00 40.22 C ATOM 1288 CD1 ILE A 82 -3.298 6.383 -14.207 1.00 0.13 C ATOM 0 H ILE A 82 -3.242 9.477 -12.558 1.00 22.23 H new ATOM 0 HA ILE A 82 -0.538 9.243 -12.810 1.00 62.24 H new ATOM 0 HB ILE A 82 -2.668 8.811 -14.945 1.00 60.11 H new ATOM 0 HG12 ILE A 82 -1.434 6.676 -13.211 1.00 52.42 H new ATOM 0 HG13 ILE A 82 -2.747 7.651 -12.582 1.00 52.42 H new ATOM 0 HG21 ILE A 82 -1.071 7.213 -15.928 1.00 40.22 H new ATOM 0 HG22 ILE A 82 -0.423 8.870 -15.919 1.00 40.22 H new ATOM 0 HG23 ILE A 82 0.143 7.686 -14.717 1.00 40.22 H new ATOM 0 HD11 ILE A 82 -3.588 5.566 -13.546 1.00 0.13 H new ATOM 0 HD12 ILE A 82 -4.180 6.965 -14.473 1.00 0.13 H new ATOM 0 HD13 ILE A 82 -2.847 5.975 -15.112 1.00 0.13 H new ATOM 1300 N ALA A 83 -1.756 11.534 -14.855 1.00 52.43 N ATOM 1301 CA ALA A 83 -1.397 12.660 -15.706 1.00 22.54 C ATOM 1302 C ALA A 83 -0.408 13.586 -15.004 1.00 0.23 C ATOM 1303 O ALA A 83 0.627 13.944 -15.565 1.00 42.22 O ATOM 1304 CB ALA A 83 -2.643 13.430 -16.117 1.00 61.44 C ATOM 0 H ALA A 83 -2.759 11.414 -14.716 1.00 52.43 H new ATOM 0 HA ALA A 83 -0.914 12.267 -16.601 1.00 22.54 H new ATOM 0 HB1 ALA A 83 -2.359 14.269 -16.753 1.00 61.44 H new ATOM 0 HB2 ALA A 83 -3.314 12.770 -16.666 1.00 61.44 H new ATOM 0 HB3 ALA A 83 -3.149 13.804 -15.227 1.00 61.44 H new ATOM 1310 N VAL A 84 -0.735 13.970 -13.775 1.00 40.23 N ATOM 1311 CA VAL A 84 0.124 14.853 -12.995 1.00 22.35 C ATOM 1312 C VAL A 84 1.501 14.234 -12.784 1.00 43.23 C ATOM 1313 O VAL A 84 2.516 14.933 -12.787 1.00 12.11 O ATOM 1314 CB VAL A 84 -0.498 15.175 -11.624 1.00 31.20 C ATOM 1315 CG1 VAL A 84 0.356 16.186 -10.874 1.00 60.43 C ATOM 1316 CG2 VAL A 84 -1.920 15.688 -11.792 1.00 53.33 C ATOM 0 H VAL A 84 -1.589 13.683 -13.297 1.00 40.23 H new ATOM 0 HA VAL A 84 0.227 15.777 -13.564 1.00 22.35 H new ATOM 0 HB VAL A 84 -0.533 14.258 -11.036 1.00 31.20 H new ATOM 0 HG11 VAL A 84 -0.100 16.401 -9.907 1.00 60.43 H new ATOM 0 HG12 VAL A 84 1.355 15.777 -10.721 1.00 60.43 H new ATOM 0 HG13 VAL A 84 0.426 17.106 -11.455 1.00 60.43 H new ATOM 0 HG21 VAL A 84 -2.345 15.911 -10.813 1.00 53.33 H new ATOM 0 HG22 VAL A 84 -1.911 16.594 -12.398 1.00 53.33 H new ATOM 0 HG23 VAL A 84 -2.525 14.928 -12.285 1.00 53.33 H new ATOM 1326 N LEU A 85 1.530 12.919 -12.601 1.00 0.41 N ATOM 1327 CA LEU A 85 2.784 12.203 -12.388 1.00 53.21 C ATOM 1328 C LEU A 85 3.637 12.212 -13.653 1.00 44.14 C ATOM 1329 O LEU A 85 4.816 12.564 -13.615 1.00 62.32 O ATOM 1330 CB LEU A 85 2.505 10.762 -11.958 1.00 10.02 C ATOM 1331 CG LEU A 85 3.696 9.987 -11.393 1.00 74.32 C ATOM 1332 CD1 LEU A 85 3.896 10.314 -9.921 1.00 31.45 C ATOM 1333 CD2 LEU A 85 3.500 8.491 -11.587 1.00 54.54 C ATOM 0 H LEU A 85 0.700 12.326 -12.596 1.00 0.41 H new ATOM 0 HA LEU A 85 3.334 12.711 -11.596 1.00 53.21 H new ATOM 0 HB2 LEU A 85 1.716 10.775 -11.206 1.00 10.02 H new ATOM 0 HB3 LEU A 85 2.117 10.216 -12.818 1.00 10.02 H new ATOM 0 HG LEU A 85 4.592 10.289 -11.936 1.00 74.32 H new ATOM 0 HD11 LEU A 85 4.748 9.753 -9.536 1.00 31.45 H new ATOM 0 HD12 LEU A 85 4.083 11.382 -9.808 1.00 31.45 H new ATOM 0 HD13 LEU A 85 3.000 10.042 -9.363 1.00 31.45 H new ATOM 0 HD21 LEU A 85 4.357 7.956 -11.179 1.00 54.54 H new ATOM 0 HD22 LEU A 85 2.594 8.173 -11.071 1.00 54.54 H new ATOM 0 HD23 LEU A 85 3.408 8.271 -12.651 1.00 54.54 H new ATOM 1345 N TYR A 86 3.033 11.825 -14.771 1.00 61.04 N ATOM 1346 CA TYR A 86 3.737 11.788 -16.046 1.00 45.41 C ATOM 1347 C TYR A 86 4.428 13.120 -16.326 1.00 41.04 C ATOM 1348 O TYR A 86 5.600 13.158 -16.703 1.00 42.45 O ATOM 1349 CB TYR A 86 2.766 11.457 -17.180 1.00 0.33 C ATOM 1350 CG TYR A 86 3.345 11.680 -18.558 1.00 21.25 C ATOM 1351 CD1 TYR A 86 4.058 10.678 -19.206 1.00 44.13 C ATOM 1352 CD2 TYR A 86 3.178 12.893 -19.215 1.00 33.24 C ATOM 1353 CE1 TYR A 86 4.589 10.879 -20.464 1.00 11.42 C ATOM 1354 CE2 TYR A 86 3.705 13.102 -20.475 1.00 21.21 C ATOM 1355 CZ TYR A 86 4.410 12.091 -21.096 1.00 42.04 C ATOM 1356 OH TYR A 86 4.936 12.294 -22.350 1.00 22.23 O ATOM 0 H TYR A 86 2.057 11.532 -14.819 1.00 61.04 H new ATOM 0 HA TYR A 86 4.497 11.009 -15.989 1.00 45.41 H new ATOM 0 HB2 TYR A 86 2.456 10.416 -17.089 1.00 0.33 H new ATOM 0 HB3 TYR A 86 1.869 12.067 -17.069 1.00 0.33 H new ATOM 0 HD1 TYR A 86 4.199 9.726 -18.717 1.00 44.13 H new ATOM 0 HD2 TYR A 86 2.627 13.686 -18.732 1.00 33.24 H new ATOM 0 HE1 TYR A 86 5.143 10.090 -20.951 1.00 11.42 H new ATOM 0 HE2 TYR A 86 3.566 14.051 -20.971 1.00 21.21 H new ATOM 0 HH TYR A 86 4.719 13.200 -22.653 1.00 22.23 H new ATOM 1366 N CYS A 87 3.692 14.210 -16.139 1.00 25.43 N ATOM 1367 CA CYS A 87 4.232 15.545 -16.371 1.00 3.14 C ATOM 1368 C CYS A 87 5.491 15.774 -15.543 1.00 65.24 C ATOM 1369 O CYS A 87 6.481 16.317 -16.034 1.00 3.32 O ATOM 1370 CB CYS A 87 3.184 16.607 -16.034 1.00 4.14 C ATOM 1371 SG CYS A 87 2.134 17.078 -17.429 1.00 43.20 S ATOM 0 H CYS A 87 2.721 14.196 -15.828 1.00 25.43 H new ATOM 0 HA CYS A 87 4.494 15.626 -17.426 1.00 3.14 H new ATOM 0 HB2 CYS A 87 2.552 16.235 -15.227 1.00 4.14 H new ATOM 0 HB3 CYS A 87 3.691 17.496 -15.658 1.00 4.14 H new ATOM 0 HG CYS A 87 1.279 17.979 -17.044 1.00 43.20 H new ATOM 1377 N VAL A 88 5.446 15.359 -14.280 1.00 21.52 N ATOM 1378 CA VAL A 88 6.583 15.519 -13.382 1.00 61.13 C ATOM 1379 C VAL A 88 7.824 14.827 -13.936 1.00 53.32 C ATOM 1380 O VAL A 88 8.932 15.358 -13.858 1.00 52.20 O ATOM 1381 CB VAL A 88 6.276 14.955 -11.981 1.00 22.24 C ATOM 1382 CG1 VAL A 88 7.448 15.194 -11.041 1.00 62.11 C ATOM 1383 CG2 VAL A 88 5.002 15.573 -11.426 1.00 25.43 C ATOM 0 H VAL A 88 4.634 14.910 -13.856 1.00 21.52 H new ATOM 0 HA VAL A 88 6.774 16.589 -13.301 1.00 61.13 H new ATOM 0 HB VAL A 88 6.123 13.879 -12.066 1.00 22.24 H new ATOM 0 HG11 VAL A 88 7.213 14.789 -10.057 1.00 62.11 H new ATOM 0 HG12 VAL A 88 8.336 14.700 -11.434 1.00 62.11 H new ATOM 0 HG13 VAL A 88 7.635 16.265 -10.958 1.00 62.11 H new ATOM 0 HG21 VAL A 88 4.800 15.163 -10.436 1.00 25.43 H new ATOM 0 HG22 VAL A 88 5.123 16.654 -11.354 1.00 25.43 H new ATOM 0 HG23 VAL A 88 4.168 15.345 -12.090 1.00 25.43 H new ATOM 1393 N HIS A 89 7.630 13.637 -14.496 1.00 31.01 N ATOM 1394 CA HIS A 89 8.733 12.870 -15.066 1.00 54.03 C ATOM 1395 C HIS A 89 9.343 13.602 -16.258 1.00 15.54 C ATOM 1396 O HIS A 89 10.555 13.486 -16.432 1.00 45.24 O ATOM 1397 CB HIS A 89 8.250 11.484 -15.495 1.00 2.21 C ATOM 1398 CG HIS A 89 8.222 10.488 -14.377 1.00 44.23 C ATOM 1399 ND1 HIS A 89 9.077 10.543 -13.297 1.00 64.11 N ATOM 1400 CD2 HIS A 89 7.434 9.406 -14.174 1.00 11.34 C ATOM 1401 CE1 HIS A 89 8.817 9.538 -12.480 1.00 33.43 C ATOM 1402 NE2 HIS A 89 7.823 8.834 -12.990 1.00 1.11 N ATOM 0 H HIS A 89 6.720 13.183 -14.567 1.00 31.01 H new ATOM 0 HA HIS A 89 9.500 12.757 -14.300 1.00 54.03 H new ATOM 0 HB2 HIS A 89 7.249 11.572 -15.918 1.00 2.21 H new ATOM 0 HB3 HIS A 89 8.899 11.111 -16.287 1.00 2.21 H new ATOM 0 HD2 HIS A 89 6.645 9.058 -14.824 1.00 11.34 H new ATOM 0 HE1 HIS A 89 9.330 9.328 -11.553 1.00 33.43 H new ATOM 0 HE2 HIS A 89 7.411 8.000 -12.571 1.00 1.11 H new ATOM 1411 N GLN A 90 8.563 14.324 -17.056 1.00 54.53 N ATOM 1412 CA GLN A 90 9.100 15.038 -18.207 1.00 22.22 C ATOM 1413 C GLN A 90 9.538 16.447 -17.818 1.00 73.01 C ATOM 1414 O GLN A 90 9.558 17.353 -18.651 1.00 70.21 O ATOM 1415 CB GLN A 90 8.058 15.106 -19.325 1.00 2.23 C ATOM 1416 CG GLN A 90 8.131 13.937 -20.295 1.00 53.03 C ATOM 1417 CD GLN A 90 9.244 14.090 -21.311 1.00 24.34 C ATOM 1418 OE1 GLN A 90 9.767 15.186 -21.516 1.00 44.24 O ATOM 1419 NE2 GLN A 90 9.614 12.990 -21.956 1.00 23.34 N ATOM 0 H GLN A 90 7.557 14.430 -16.926 1.00 54.53 H new ATOM 0 HA GLN A 90 9.972 14.492 -18.566 1.00 22.22 H new ATOM 0 HB2 GLN A 90 7.063 15.138 -18.882 1.00 2.23 H new ATOM 0 HB3 GLN A 90 8.191 16.036 -19.878 1.00 2.23 H new ATOM 0 HG2 GLN A 90 8.280 13.014 -19.735 1.00 53.03 H new ATOM 0 HG3 GLN A 90 7.179 13.843 -20.817 1.00 53.03 H new ATOM 0 HE21 GLN A 90 9.154 12.102 -21.755 1.00 23.34 H new ATOM 0 HE22 GLN A 90 10.358 13.033 -22.652 1.00 23.34 H new ATOM 1428 N ARG A 91 9.886 16.624 -16.548 1.00 3.21 N ATOM 1429 CA ARG A 91 10.321 17.922 -16.049 1.00 3.41 C ATOM 1430 C ARG A 91 9.254 18.984 -16.294 1.00 24.54 C ATOM 1431 O ARG A 91 9.568 20.132 -16.612 1.00 20.40 O ATOM 1432 CB ARG A 91 11.633 18.337 -16.719 1.00 70.24 C ATOM 1433 CG ARG A 91 12.435 19.346 -15.914 1.00 5.30 C ATOM 1434 CD ARG A 91 12.936 20.484 -16.789 1.00 1.11 C ATOM 1435 NE ARG A 91 14.265 20.938 -16.388 1.00 32.31 N ATOM 1436 CZ ARG A 91 15.026 21.732 -17.134 1.00 5.14 C ATOM 1437 NH1 ARG A 91 14.591 22.157 -18.312 1.00 43.10 N ATOM 1438 NH2 ARG A 91 16.224 22.103 -16.701 1.00 40.52 N ATOM 0 H ARG A 91 9.875 15.884 -15.846 1.00 3.21 H new ATOM 0 HA ARG A 91 10.482 17.835 -14.974 1.00 3.41 H new ATOM 0 HB2 ARG A 91 12.243 17.449 -16.884 1.00 70.24 H new ATOM 0 HB3 ARG A 91 11.413 18.760 -17.699 1.00 70.24 H new ATOM 0 HG2 ARG A 91 11.816 19.748 -15.112 1.00 5.30 H new ATOM 0 HG3 ARG A 91 13.282 18.847 -15.444 1.00 5.30 H new ATOM 0 HD2 ARG A 91 12.963 20.157 -17.829 1.00 1.11 H new ATOM 0 HD3 ARG A 91 12.236 21.318 -16.735 1.00 1.11 H new ATOM 0 HE ARG A 91 14.629 20.629 -15.487 1.00 32.31 H new ATOM 0 HH11 ARG A 91 13.670 21.875 -18.648 1.00 43.10 H new ATOM 0 HH12 ARG A 91 15.177 22.766 -18.883 1.00 43.10 H new ATOM 0 HH21 ARG A 91 16.562 21.779 -15.795 1.00 40.52 H new ATOM 0 HH22 ARG A 91 16.807 22.712 -17.274 1.00 40.52 H new ATOM 1452 N ILE A 92 7.993 18.594 -16.146 1.00 32.41 N ATOM 1453 CA ILE A 92 6.880 19.513 -16.351 1.00 33.01 C ATOM 1454 C ILE A 92 6.189 19.842 -15.032 1.00 30.04 C ATOM 1455 O ILE A 92 5.700 18.952 -14.336 1.00 31.22 O ATOM 1456 CB ILE A 92 5.843 18.931 -17.330 1.00 11.21 C ATOM 1457 CG1 ILE A 92 6.539 18.381 -18.577 1.00 72.12 C ATOM 1458 CG2 ILE A 92 4.821 19.992 -17.711 1.00 13.21 C ATOM 1459 CD1 ILE A 92 5.585 17.779 -19.585 1.00 1.41 C ATOM 0 H ILE A 92 7.716 17.648 -15.885 1.00 32.41 H new ATOM 0 HA ILE A 92 7.298 20.425 -16.777 1.00 33.01 H new ATOM 0 HB ILE A 92 5.320 18.111 -16.838 1.00 11.21 H new ATOM 0 HG12 ILE A 92 7.100 19.184 -19.054 1.00 72.12 H new ATOM 0 HG13 ILE A 92 7.262 17.623 -18.275 1.00 72.12 H new ATOM 0 HG21 ILE A 92 4.095 19.566 -18.403 1.00 13.21 H new ATOM 0 HG22 ILE A 92 4.307 20.341 -16.815 1.00 13.21 H new ATOM 0 HG23 ILE A 92 5.328 20.831 -18.188 1.00 13.21 H new ATOM 0 HD11 ILE A 92 6.147 17.409 -20.443 1.00 1.41 H new ATOM 0 HD12 ILE A 92 5.042 16.954 -19.124 1.00 1.41 H new ATOM 0 HD13 ILE A 92 4.877 18.539 -19.915 1.00 1.41 H new ATOM 1471 N ASP A 93 6.150 21.127 -14.696 1.00 22.13 N ATOM 1472 CA ASP A 93 5.516 21.575 -13.462 1.00 32.51 C ATOM 1473 C ASP A 93 4.208 22.304 -13.756 1.00 20.20 C ATOM 1474 O ASP A 93 4.178 23.254 -14.539 1.00 11.43 O ATOM 1475 CB ASP A 93 6.460 22.492 -12.681 1.00 13.44 C ATOM 1476 CG ASP A 93 6.661 23.831 -13.362 1.00 75.25 C ATOM 1477 OD1 ASP A 93 5.817 24.730 -13.162 1.00 72.45 O ATOM 1478 OD2 ASP A 93 7.661 23.981 -14.093 1.00 24.01 O ATOM 0 H ASP A 93 6.550 21.876 -15.261 1.00 22.13 H new ATOM 0 HA ASP A 93 5.294 20.695 -12.858 1.00 32.51 H new ATOM 0 HB2 ASP A 93 6.060 22.653 -11.680 1.00 13.44 H new ATOM 0 HB3 ASP A 93 7.425 21.999 -12.563 1.00 13.44 H new ATOM 1483 N VAL A 94 3.129 21.852 -13.125 1.00 64.40 N ATOM 1484 CA VAL A 94 1.819 22.462 -13.318 1.00 2.12 C ATOM 1485 C VAL A 94 1.353 23.177 -12.056 1.00 51.31 C ATOM 1486 O VAL A 94 1.885 22.951 -10.969 1.00 44.42 O ATOM 1487 CB VAL A 94 0.766 21.411 -13.719 1.00 22.34 C ATOM 1488 CG1 VAL A 94 0.989 20.952 -15.152 1.00 1.30 C ATOM 1489 CG2 VAL A 94 0.800 20.231 -12.760 1.00 32.30 C ATOM 0 H VAL A 94 3.136 21.065 -12.476 1.00 64.40 H new ATOM 0 HA VAL A 94 1.923 23.188 -14.124 1.00 2.12 H new ATOM 0 HB VAL A 94 -0.221 21.869 -13.660 1.00 22.34 H new ATOM 0 HG11 VAL A 94 0.236 20.210 -15.418 1.00 1.30 H new ATOM 0 HG12 VAL A 94 0.910 21.806 -15.824 1.00 1.30 H new ATOM 0 HG13 VAL A 94 1.981 20.510 -15.242 1.00 1.30 H new ATOM 0 HG21 VAL A 94 0.050 19.498 -13.058 1.00 32.30 H new ATOM 0 HG22 VAL A 94 1.787 19.770 -12.785 1.00 32.30 H new ATOM 0 HG23 VAL A 94 0.587 20.578 -11.749 1.00 32.30 H new ATOM 1499 N LYS A 95 0.355 24.041 -12.206 1.00 52.44 N ATOM 1500 CA LYS A 95 -0.187 24.788 -11.078 1.00 65.34 C ATOM 1501 C LYS A 95 -1.180 23.941 -10.288 1.00 44.22 C ATOM 1502 O LYS A 95 -1.510 24.258 -9.146 1.00 52.24 O ATOM 1503 CB LYS A 95 -0.869 26.068 -11.567 1.00 14.14 C ATOM 1504 CG LYS A 95 0.033 26.955 -12.408 1.00 3.43 C ATOM 1505 CD LYS A 95 -0.653 28.260 -12.773 1.00 25.43 C ATOM 1506 CE LYS A 95 0.343 29.285 -13.294 1.00 24.34 C ATOM 1507 NZ LYS A 95 0.074 29.650 -14.712 1.00 4.34 N ATOM 0 H LYS A 95 -0.095 24.241 -13.099 1.00 52.44 H new ATOM 0 HA LYS A 95 0.641 25.052 -10.420 1.00 65.34 H new ATOM 0 HB2 LYS A 95 -1.749 25.800 -12.152 1.00 14.14 H new ATOM 0 HB3 LYS A 95 -1.220 26.635 -10.705 1.00 14.14 H new ATOM 0 HG2 LYS A 95 0.951 27.166 -11.860 1.00 3.43 H new ATOM 0 HG3 LYS A 95 0.319 26.427 -13.317 1.00 3.43 H new ATOM 0 HD2 LYS A 95 -1.414 28.073 -13.530 1.00 25.43 H new ATOM 0 HD3 LYS A 95 -1.165 28.660 -11.898 1.00 25.43 H new ATOM 0 HE2 LYS A 95 0.300 30.181 -12.674 1.00 24.34 H new ATOM 0 HE3 LYS A 95 1.354 28.886 -13.207 1.00 24.34 H new ATOM 0 HZ1 LYS A 95 0.774 30.350 -15.029 1.00 4.34 H new ATOM 0 HZ2 LYS A 95 0.140 28.800 -15.308 1.00 4.34 H new ATOM 0 HZ3 LYS A 95 -0.881 30.055 -14.791 1.00 4.34 H new ATOM 1521 N ASP A 96 -1.650 22.862 -10.904 1.00 72.21 N ATOM 1522 CA ASP A 96 -2.603 21.967 -10.258 1.00 70.14 C ATOM 1523 C ASP A 96 -2.987 20.820 -11.187 1.00 44.32 C ATOM 1524 O ASP A 96 -2.512 20.738 -12.320 1.00 45.41 O ATOM 1525 CB ASP A 96 -3.854 22.739 -9.836 1.00 14.51 C ATOM 1526 CG ASP A 96 -4.346 23.680 -10.918 1.00 0.42 C ATOM 1527 OD1 ASP A 96 -4.572 23.213 -12.054 1.00 42.10 O ATOM 1528 OD2 ASP A 96 -4.505 24.885 -10.628 1.00 3.42 O ATOM 0 H ASP A 96 -1.387 22.586 -11.850 1.00 72.21 H new ATOM 0 HA ASP A 96 -2.127 21.548 -9.371 1.00 70.14 H new ATOM 0 HB2 ASP A 96 -4.646 22.033 -9.585 1.00 14.51 H new ATOM 0 HB3 ASP A 96 -3.638 23.310 -8.933 1.00 14.51 H new ATOM 1533 N THR A 97 -3.849 19.932 -10.699 1.00 60.10 N ATOM 1534 CA THR A 97 -4.295 18.789 -11.484 1.00 11.23 C ATOM 1535 C THR A 97 -5.137 19.233 -12.674 1.00 55.30 C ATOM 1536 O THR A 97 -5.455 18.435 -13.556 1.00 55.51 O ATOM 1537 CB THR A 97 -5.114 17.805 -10.627 1.00 24.12 C ATOM 1538 OG1 THR A 97 -4.416 17.514 -9.412 1.00 62.31 O ATOM 1539 CG2 THR A 97 -5.376 16.514 -11.388 1.00 11.52 C ATOM 0 H THR A 97 -4.252 19.984 -9.763 1.00 60.10 H new ATOM 0 HA THR A 97 -3.399 18.285 -11.846 1.00 11.23 H new ATOM 0 HB THR A 97 -6.071 18.272 -10.393 1.00 24.12 H new ATOM 0 HG1 THR A 97 -4.133 16.576 -9.414 1.00 62.31 H new ATOM 0 HG21 THR A 97 -5.956 15.835 -10.763 1.00 11.52 H new ATOM 0 HG22 THR A 97 -5.934 16.735 -12.298 1.00 11.52 H new ATOM 0 HG23 THR A 97 -4.427 16.046 -11.649 1.00 11.52 H new ATOM 1547 N LYS A 98 -5.497 20.512 -12.694 1.00 22.14 N ATOM 1548 CA LYS A 98 -6.302 21.065 -13.777 1.00 1.24 C ATOM 1549 C LYS A 98 -5.429 21.415 -14.979 1.00 53.53 C ATOM 1550 O LYS A 98 -5.769 21.094 -16.117 1.00 52.20 O ATOM 1551 CB LYS A 98 -7.053 22.309 -13.298 1.00 44.43 C ATOM 1552 CG LYS A 98 -8.350 22.562 -14.046 1.00 62.10 C ATOM 1553 CD LYS A 98 -8.166 23.594 -15.147 1.00 55.30 C ATOM 1554 CE LYS A 98 -8.901 24.886 -14.827 1.00 13.14 C ATOM 1555 NZ LYS A 98 -9.479 25.512 -16.049 1.00 74.22 N ATOM 0 H LYS A 98 -5.244 21.186 -11.971 1.00 22.14 H new ATOM 0 HA LYS A 98 -7.024 20.308 -14.083 1.00 1.24 H new ATOM 0 HB2 LYS A 98 -7.271 22.205 -12.235 1.00 44.43 H new ATOM 0 HB3 LYS A 98 -6.405 23.179 -13.407 1.00 44.43 H new ATOM 0 HG2 LYS A 98 -8.710 21.628 -14.478 1.00 62.10 H new ATOM 0 HG3 LYS A 98 -9.113 22.906 -13.348 1.00 62.10 H new ATOM 0 HD2 LYS A 98 -7.104 23.801 -15.279 1.00 55.30 H new ATOM 0 HD3 LYS A 98 -8.532 23.190 -16.091 1.00 55.30 H new ATOM 0 HE2 LYS A 98 -9.698 24.683 -14.111 1.00 13.14 H new ATOM 0 HE3 LYS A 98 -8.215 25.586 -14.350 1.00 13.14 H new ATOM 0 HZ1 LYS A 98 -9.972 26.390 -15.789 1.00 74.22 H new ATOM 0 HZ2 LYS A 98 -8.716 25.729 -16.722 1.00 74.22 H new ATOM 0 HZ3 LYS A 98 -10.153 24.854 -16.490 1.00 74.22 H new ATOM 1569 N GLU A 99 -4.304 22.072 -14.716 1.00 34.22 N ATOM 1570 CA GLU A 99 -3.385 22.464 -15.778 1.00 2.42 C ATOM 1571 C GLU A 99 -2.528 21.281 -16.220 1.00 51.33 C ATOM 1572 O GLU A 99 -1.911 21.312 -17.285 1.00 52.44 O ATOM 1573 CB GLU A 99 -2.487 23.610 -15.307 1.00 62.41 C ATOM 1574 CG GLU A 99 -3.018 24.987 -15.667 1.00 74.13 C ATOM 1575 CD GLU A 99 -2.336 25.576 -16.886 1.00 52.14 C ATOM 1576 OE1 GLU A 99 -1.096 25.722 -16.860 1.00 2.31 O ATOM 1577 OE2 GLU A 99 -3.042 25.892 -17.866 1.00 13.35 O ATOM 0 H GLU A 99 -4.007 22.344 -13.779 1.00 34.22 H new ATOM 0 HA GLU A 99 -3.976 22.801 -16.630 1.00 2.42 H new ATOM 0 HB2 GLU A 99 -2.369 23.547 -14.225 1.00 62.41 H new ATOM 0 HB3 GLU A 99 -1.496 23.487 -15.743 1.00 62.41 H new ATOM 0 HG2 GLU A 99 -4.090 24.922 -15.852 1.00 74.13 H new ATOM 0 HG3 GLU A 99 -2.881 25.658 -14.819 1.00 74.13 H new ATOM 1584 N ALA A 100 -2.495 20.241 -15.394 1.00 12.42 N ATOM 1585 CA ALA A 100 -1.717 19.047 -15.700 1.00 2.41 C ATOM 1586 C ALA A 100 -2.456 18.145 -16.682 1.00 64.32 C ATOM 1587 O ALA A 100 -1.838 17.378 -17.422 1.00 75.41 O ATOM 1588 CB ALA A 100 -1.394 18.286 -14.422 1.00 40.42 C ATOM 0 H ALA A 100 -2.998 20.201 -14.508 1.00 12.42 H new ATOM 0 HA ALA A 100 -0.785 19.362 -16.169 1.00 2.41 H new ATOM 0 HB1 ALA A 100 -0.813 17.397 -14.665 1.00 40.42 H new ATOM 0 HB2 ALA A 100 -0.817 18.925 -13.754 1.00 40.42 H new ATOM 0 HB3 ALA A 100 -2.321 17.990 -13.930 1.00 40.42 H new ATOM 1594 N LEU A 101 -3.781 18.242 -16.684 1.00 3.22 N ATOM 1595 CA LEU A 101 -4.606 17.434 -17.576 1.00 44.10 C ATOM 1596 C LEU A 101 -4.693 18.067 -18.960 1.00 61.50 C ATOM 1597 O LEU A 101 -4.774 17.368 -19.971 1.00 64.02 O ATOM 1598 CB LEU A 101 -6.008 17.264 -16.991 1.00 54.41 C ATOM 1599 CG LEU A 101 -6.197 16.092 -16.026 1.00 22.32 C ATOM 1600 CD1 LEU A 101 -7.338 16.373 -15.061 1.00 24.32 C ATOM 1601 CD2 LEU A 101 -6.452 14.804 -16.795 1.00 2.11 C ATOM 0 H LEU A 101 -4.307 18.872 -16.078 1.00 3.22 H new ATOM 0 HA LEU A 101 -4.139 16.454 -17.674 1.00 44.10 H new ATOM 0 HB2 LEU A 101 -6.277 18.183 -16.471 1.00 54.41 H new ATOM 0 HB3 LEU A 101 -6.712 17.147 -17.815 1.00 54.41 H new ATOM 0 HG LEU A 101 -5.281 15.972 -15.448 1.00 22.32 H new ATOM 0 HD11 LEU A 101 -7.457 15.528 -14.383 1.00 24.32 H new ATOM 0 HD12 LEU A 101 -7.115 17.272 -14.486 1.00 24.32 H new ATOM 0 HD13 LEU A 101 -8.261 16.521 -15.622 1.00 24.32 H new ATOM 0 HD21 LEU A 101 -6.584 13.981 -16.093 1.00 2.11 H new ATOM 0 HD22 LEU A 101 -7.352 14.913 -17.399 1.00 2.11 H new ATOM 0 HD23 LEU A 101 -5.602 14.594 -17.445 1.00 2.11 H new ATOM 1613 N ASP A 102 -4.673 19.396 -18.999 1.00 0.43 N ATOM 1614 CA ASP A 102 -4.746 20.124 -20.260 1.00 12.11 C ATOM 1615 C ASP A 102 -3.410 20.076 -20.995 1.00 3.44 C ATOM 1616 O ASP A 102 -3.364 19.900 -22.213 1.00 72.30 O ATOM 1617 CB ASP A 102 -5.153 21.577 -20.011 1.00 63.14 C ATOM 1618 CG ASP A 102 -6.531 21.895 -20.556 1.00 1.50 C ATOM 1619 OD1 ASP A 102 -7.381 20.981 -20.586 1.00 12.13 O ATOM 1620 OD2 ASP A 102 -6.760 23.057 -20.952 1.00 53.12 O ATOM 0 H ASP A 102 -4.607 19.990 -18.172 1.00 0.43 H new ATOM 0 HA ASP A 102 -5.500 19.645 -20.884 1.00 12.11 H new ATOM 0 HB2 ASP A 102 -5.134 21.778 -18.940 1.00 63.14 H new ATOM 0 HB3 ASP A 102 -4.421 22.240 -20.472 1.00 63.14 H new ATOM 1625 N LYS A 103 -2.324 20.232 -20.246 1.00 3.22 N ATOM 1626 CA LYS A 103 -0.985 20.205 -20.825 1.00 72.41 C ATOM 1627 C LYS A 103 -0.711 18.867 -21.502 1.00 41.42 C ATOM 1628 O LYS A 103 0.046 18.794 -22.470 1.00 13.41 O ATOM 1629 CB LYS A 103 0.066 20.467 -19.743 1.00 30.13 C ATOM 1630 CG LYS A 103 1.374 21.015 -20.286 1.00 13.44 C ATOM 1631 CD LYS A 103 1.185 22.380 -20.926 1.00 10.02 C ATOM 1632 CE LYS A 103 1.875 23.472 -20.122 1.00 75.22 C ATOM 1633 NZ LYS A 103 1.401 24.829 -20.510 1.00 72.13 N ATOM 0 H LYS A 103 -2.344 20.378 -19.237 1.00 3.22 H new ATOM 0 HA LYS A 103 -0.926 20.991 -21.578 1.00 72.41 H new ATOM 0 HB2 LYS A 103 -0.340 21.171 -19.017 1.00 30.13 H new ATOM 0 HB3 LYS A 103 0.265 19.538 -19.209 1.00 30.13 H new ATOM 0 HG2 LYS A 103 2.102 21.089 -19.478 1.00 13.44 H new ATOM 0 HG3 LYS A 103 1.783 20.321 -21.021 1.00 13.44 H new ATOM 0 HD2 LYS A 103 1.584 22.366 -21.940 1.00 10.02 H new ATOM 0 HD3 LYS A 103 0.121 22.602 -21.005 1.00 10.02 H new ATOM 0 HE2 LYS A 103 1.690 23.313 -19.060 1.00 75.22 H new ATOM 0 HE3 LYS A 103 2.953 23.407 -20.271 1.00 75.22 H new ATOM 0 HZ1 LYS A 103 1.895 25.545 -19.940 1.00 72.13 H new ATOM 0 HZ2 LYS A 103 1.600 24.991 -21.518 1.00 72.13 H new ATOM 0 HZ3 LYS A 103 0.377 24.900 -20.344 1.00 72.13 H new ATOM 1647 N ILE A 104 -1.331 17.810 -20.985 1.00 15.24 N ATOM 1648 CA ILE A 104 -1.155 16.475 -21.542 1.00 2.23 C ATOM 1649 C ILE A 104 -2.154 16.211 -22.664 1.00 45.33 C ATOM 1650 O ILE A 104 -1.937 15.343 -23.509 1.00 41.41 O ATOM 1651 CB ILE A 104 -1.315 15.389 -20.462 1.00 4.11 C ATOM 1652 CG1 ILE A 104 -0.295 15.599 -19.341 1.00 5.30 C ATOM 1653 CG2 ILE A 104 -1.160 14.005 -21.074 1.00 52.32 C ATOM 1654 CD1 ILE A 104 -0.515 14.698 -18.146 1.00 21.42 C ATOM 0 H ILE A 104 -1.959 17.853 -20.182 1.00 15.24 H new ATOM 0 HA ILE A 104 -0.142 16.431 -21.943 1.00 2.23 H new ATOM 0 HB ILE A 104 -2.316 15.466 -20.037 1.00 4.11 H new ATOM 0 HG12 ILE A 104 0.707 15.427 -19.735 1.00 5.30 H new ATOM 0 HG13 ILE A 104 -0.335 16.638 -19.014 1.00 5.30 H new ATOM 0 HG21 ILE A 104 -1.276 13.249 -20.298 1.00 52.32 H new ATOM 0 HG22 ILE A 104 -1.922 13.858 -21.840 1.00 52.32 H new ATOM 0 HG23 ILE A 104 -0.171 13.915 -21.524 1.00 52.32 H new ATOM 0 HD11 ILE A 104 0.245 14.902 -17.392 1.00 21.42 H new ATOM 0 HD12 ILE A 104 -1.503 14.886 -17.726 1.00 21.42 H new ATOM 0 HD13 ILE A 104 -0.445 13.656 -18.458 1.00 21.42 H new