USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 754 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 95 ASN : amide:sc= -0.572 K(o=-0.57,f=-2.6!) USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 MET CE :methyl -126:sc= -2.02 (180deg=-3.97!) USER MOD Set 2.2: A 111 MET CE :methyl -146:sc= -5.53 (180deg=-12.3!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.496 X(o=-0.5,f=-0.069) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -11:sc= 0.689 USER MOD Single : A 66 MET CE :methyl -163:sc= 0 (180deg=-0.161) USER MOD Single : A 70 THR OG1 : rot 140:sc= -0.723 USER MOD Single : A 72 SER OG : rot 36:sc= 0.719 USER MOD Single : A 74 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.6) USER MOD Single : A 76 THR OG1 : rot 62:sc= -0.244 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -47:sc= 0.745 USER MOD Single : A 84 THR OG1 : rot 41:sc= 1.01 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 27:sc= 0.47 USER MOD Single : A 93 ASN : amide:sc= -2.74 K(o=-2.7,f=-3.6) USER MOD Single : A 99 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.95) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= -0.032 (180deg=-0.032) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.057 K(o=-0.057,f=-0.6) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot 48:sc= 0.487 USER MOD ----------------------------------------------------------------- ATOM 69 N LYS A 4 4.190 4.000 -6.520 1.00 62.35 N ATOM 70 CA LYS A 4 5.422 4.761 -6.692 1.00 54.51 C ATOM 71 C LYS A 4 6.276 4.707 -5.429 1.00 74.24 C ATOM 72 O LYS A 4 6.800 5.726 -4.978 1.00 75.54 O ATOM 73 CB LYS A 4 5.101 6.217 -7.041 1.00 70.41 C ATOM 74 CG LYS A 4 4.154 6.883 -6.059 1.00 14.24 C ATOM 75 CD LYS A 4 3.943 8.350 -6.395 1.00 74.21 C ATOM 76 CE LYS A 4 2.471 8.664 -6.618 1.00 2.52 C ATOM 77 NZ LYS A 4 2.188 10.120 -6.477 1.00 33.41 N ATOM 0 HA LYS A 4 5.986 4.313 -7.510 1.00 54.51 H new ATOM 0 HB2 LYS A 4 6.030 6.786 -7.080 1.00 70.41 H new ATOM 0 HB3 LYS A 4 4.662 6.255 -8.038 1.00 70.41 H new ATOM 0 HG2 LYS A 4 3.195 6.365 -6.069 1.00 14.24 H new ATOM 0 HG3 LYS A 4 4.554 6.794 -5.049 1.00 14.24 H new ATOM 0 HD2 LYS A 4 4.330 8.969 -5.586 1.00 74.21 H new ATOM 0 HD3 LYS A 4 4.510 8.605 -7.290 1.00 74.21 H new ATOM 0 HE2 LYS A 4 2.175 8.331 -7.613 1.00 2.52 H new ATOM 0 HE3 LYS A 4 1.868 8.106 -5.902 1.00 2.52 H new ATOM 0 HZ1 LYS A 4 1.175 10.294 -6.636 1.00 33.41 H new ATOM 0 HZ2 LYS A 4 2.447 10.433 -5.520 1.00 33.41 H new ATOM 0 HZ3 LYS A 4 2.744 10.651 -7.177 1.00 33.41 H new ATOM 91 N ASP A 5 6.413 3.512 -4.865 1.00 14.23 N ATOM 92 CA ASP A 5 7.206 3.325 -3.655 1.00 75.42 C ATOM 93 C ASP A 5 8.655 2.998 -4.001 1.00 1.40 C ATOM 94 O ASP A 5 9.225 2.036 -3.485 1.00 52.24 O ATOM 95 CB ASP A 5 6.609 2.208 -2.797 1.00 22.11 C ATOM 96 CG ASP A 5 7.089 2.263 -1.360 1.00 12.52 C ATOM 97 OD1 ASP A 5 7.614 3.320 -0.950 1.00 73.24 O ATOM 98 OD2 ASP A 5 6.940 1.250 -0.645 1.00 10.33 O ATOM 0 H ASP A 5 5.986 2.659 -5.226 1.00 14.23 H new ATOM 0 HA ASP A 5 7.188 4.257 -3.090 1.00 75.42 H new ATOM 0 HB2 ASP A 5 5.522 2.280 -2.817 1.00 22.11 H new ATOM 0 HB3 ASP A 5 6.872 1.242 -3.228 1.00 22.11 H new ATOM 103 N ILE A 6 9.245 3.805 -4.877 1.00 31.12 N ATOM 104 CA ILE A 6 10.628 3.602 -5.291 1.00 74.40 C ATOM 105 C ILE A 6 11.576 3.679 -4.099 1.00 75.11 C ATOM 106 O ILE A 6 11.158 3.972 -2.979 1.00 33.33 O ATOM 107 CB ILE A 6 11.058 4.640 -6.344 1.00 5.15 C ATOM 108 CG1 ILE A 6 10.900 6.057 -5.788 1.00 41.03 C ATOM 109 CG2 ILE A 6 10.246 4.471 -7.618 1.00 75.13 C ATOM 110 CD1 ILE A 6 11.630 7.107 -6.595 1.00 43.54 C ATOM 0 H ILE A 6 8.787 4.605 -5.313 1.00 31.12 H new ATOM 0 HA ILE A 6 10.683 2.606 -5.731 1.00 74.40 H new ATOM 0 HB ILE A 6 12.109 4.479 -6.584 1.00 5.15 H new ATOM 0 HG12 ILE A 6 9.840 6.309 -5.753 1.00 41.03 H new ATOM 0 HG13 ILE A 6 11.267 6.079 -4.762 1.00 41.03 H new ATOM 0 HG21 ILE A 6 10.562 5.212 -8.352 1.00 75.13 H new ATOM 0 HG22 ILE A 6 10.405 3.471 -8.021 1.00 75.13 H new ATOM 0 HG23 ILE A 6 9.188 4.609 -7.396 1.00 75.13 H new ATOM 0 HD11 ILE A 6 11.474 8.087 -6.143 1.00 43.54 H new ATOM 0 HD12 ILE A 6 12.696 6.879 -6.609 1.00 43.54 H new ATOM 0 HD13 ILE A 6 11.247 7.113 -7.616 1.00 43.54 H new ATOM 122 N ARG A 7 12.854 3.416 -4.349 1.00 1.01 N ATOM 123 CA ARG A 7 13.862 3.456 -3.296 1.00 42.44 C ATOM 124 C ARG A 7 14.643 4.767 -3.341 1.00 71.44 C ATOM 125 O ARG A 7 15.862 4.780 -3.173 1.00 45.15 O ATOM 126 CB ARG A 7 14.822 2.273 -3.435 1.00 1.34 C ATOM 127 CG ARG A 7 14.234 0.954 -2.962 1.00 63.30 C ATOM 128 CD ARG A 7 14.139 0.898 -1.445 1.00 72.34 C ATOM 129 NE ARG A 7 12.854 1.394 -0.959 1.00 43.01 N ATOM 130 CZ ARG A 7 12.391 1.160 0.264 1.00 62.13 C ATOM 131 NH1 ARG A 7 13.104 0.441 1.120 1.00 40.02 N ATOM 132 NH2 ARG A 7 11.213 1.646 0.632 1.00 32.25 N ATOM 0 H ARG A 7 13.216 3.173 -5.271 1.00 1.01 H new ATOM 0 HA ARG A 7 13.351 3.390 -2.335 1.00 42.44 H new ATOM 0 HB2 ARG A 7 15.117 2.176 -4.480 1.00 1.34 H new ATOM 0 HB3 ARG A 7 15.728 2.482 -2.866 1.00 1.34 H new ATOM 0 HG2 ARG A 7 13.243 0.820 -3.395 1.00 63.30 H new ATOM 0 HG3 ARG A 7 14.852 0.130 -3.320 1.00 63.30 H new ATOM 0 HD2 ARG A 7 14.281 -0.130 -1.110 1.00 72.34 H new ATOM 0 HD3 ARG A 7 14.944 1.489 -1.009 1.00 72.34 H new ATOM 0 HE ARG A 7 12.281 1.950 -1.593 1.00 43.01 H new ATOM 0 HH11 ARG A 7 14.010 0.066 0.840 1.00 40.02 H new ATOM 0 HH12 ARG A 7 12.746 0.263 2.058 1.00 40.02 H new ATOM 0 HH21 ARG A 7 10.662 2.200 -0.024 1.00 32.25 H new ATOM 0 HH22 ARG A 7 10.858 1.466 1.571 1.00 32.25 H new ATOM 146 N ASP A 8 13.932 5.865 -3.570 1.00 11.34 N ATOM 147 CA ASP A 8 14.558 7.181 -3.636 1.00 73.13 C ATOM 148 C ASP A 8 15.536 7.258 -4.804 1.00 4.52 C ATOM 149 O ASP A 8 16.486 8.042 -4.780 1.00 53.32 O ATOM 150 CB ASP A 8 15.282 7.492 -2.326 1.00 22.43 C ATOM 151 CG ASP A 8 15.004 8.897 -1.829 1.00 72.32 C ATOM 152 OD1 ASP A 8 13.831 9.322 -1.879 1.00 54.43 O ATOM 153 OD2 ASP A 8 15.959 9.570 -1.390 1.00 12.42 O ATOM 0 H ASP A 8 12.922 5.871 -3.713 1.00 11.34 H new ATOM 0 HA ASP A 8 13.774 7.922 -3.792 1.00 73.13 H new ATOM 0 HB2 ASP A 8 14.975 6.774 -1.566 1.00 22.43 H new ATOM 0 HB3 ASP A 8 16.355 7.366 -2.469 1.00 22.43 H new ATOM 158 N TYR A 9 15.300 6.440 -5.823 1.00 15.20 N ATOM 159 CA TYR A 9 16.162 6.414 -6.998 1.00 60.43 C ATOM 160 C TYR A 9 17.598 6.071 -6.613 1.00 11.44 C ATOM 161 O TYR A 9 18.363 6.938 -6.192 1.00 14.32 O ATOM 162 CB TYR A 9 16.123 7.764 -7.716 1.00 71.32 C ATOM 163 CG TYR A 9 17.061 7.848 -8.899 1.00 22.02 C ATOM 164 CD1 TYR A 9 16.646 7.466 -10.169 1.00 14.53 C ATOM 165 CD2 TYR A 9 18.363 8.308 -8.747 1.00 3.04 C ATOM 166 CE1 TYR A 9 17.499 7.541 -11.252 1.00 45.02 C ATOM 167 CE2 TYR A 9 19.223 8.387 -9.825 1.00 5.45 C ATOM 168 CZ TYR A 9 18.787 8.003 -11.075 1.00 61.41 C ATOM 169 OH TYR A 9 19.641 8.079 -12.151 1.00 64.22 O ATOM 0 H TYR A 9 14.518 5.786 -5.859 1.00 15.20 H new ATOM 0 HA TYR A 9 15.791 5.641 -7.672 1.00 60.43 H new ATOM 0 HB2 TYR A 9 15.105 7.956 -8.056 1.00 71.32 H new ATOM 0 HB3 TYR A 9 16.376 8.551 -7.006 1.00 71.32 H new ATOM 0 HD1 TYR A 9 15.638 7.104 -10.311 1.00 14.53 H new ATOM 0 HD2 TYR A 9 18.709 8.609 -7.769 1.00 3.04 H new ATOM 0 HE1 TYR A 9 17.160 7.240 -12.232 1.00 45.02 H new ATOM 0 HE2 TYR A 9 20.232 8.748 -9.689 1.00 5.45 H new ATOM 0 HH TYR A 9 20.509 8.425 -11.856 1.00 64.22 H new ATOM 179 N ASN A 10 17.956 4.800 -6.760 1.00 44.14 N ATOM 180 CA ASN A 10 19.300 4.341 -6.428 1.00 43.31 C ATOM 181 C ASN A 10 19.564 2.958 -7.015 1.00 53.14 C ATOM 182 O ASN A 10 20.639 2.696 -7.555 1.00 31.24 O ATOM 183 CB ASN A 10 19.489 4.308 -4.910 1.00 64.32 C ATOM 184 CG ASN A 10 20.484 5.346 -4.428 1.00 50.23 C ATOM 185 OD1 ASN A 10 20.631 6.408 -5.033 1.00 2.40 O ATOM 186 ND2 ASN A 10 21.173 5.043 -3.334 1.00 73.32 N ATOM 0 H ASN A 10 17.334 4.069 -7.107 1.00 44.14 H new ATOM 0 HA ASN A 10 20.014 5.042 -6.862 1.00 43.31 H new ATOM 0 HB2 ASN A 10 18.528 4.476 -4.423 1.00 64.32 H new ATOM 0 HB3 ASN A 10 19.829 3.317 -4.610 1.00 64.32 H new ATOM 0 HD21 ASN A 10 21.857 5.703 -2.963 1.00 73.32 H new ATOM 0 HD22 ASN A 10 21.018 4.151 -2.865 1.00 73.32 H new ATOM 193 N ASP A 11 18.575 2.078 -6.907 1.00 71.42 N ATOM 194 CA ASP A 11 18.698 0.721 -7.429 1.00 3.42 C ATOM 195 C ASP A 11 17.417 -0.071 -7.190 1.00 72.25 C ATOM 196 O ASP A 11 17.457 -1.277 -6.950 1.00 21.33 O ATOM 197 CB ASP A 11 19.883 0.007 -6.777 1.00 2.13 C ATOM 198 CG ASP A 11 20.686 -0.809 -7.771 1.00 33.02 C ATOM 199 OD1 ASP A 11 20.811 -0.372 -8.934 1.00 52.21 O ATOM 200 OD2 ASP A 11 21.189 -1.885 -7.385 1.00 44.53 O ATOM 0 H ASP A 11 17.679 2.279 -6.463 1.00 71.42 H new ATOM 0 HA ASP A 11 18.869 0.785 -8.504 1.00 3.42 H new ATOM 0 HB2 ASP A 11 20.534 0.744 -6.307 1.00 2.13 H new ATOM 0 HB3 ASP A 11 19.518 -0.647 -5.985 1.00 2.13 H new ATOM 205 N ALA A 12 16.281 0.616 -7.258 1.00 61.43 N ATOM 206 CA ALA A 12 14.988 -0.024 -7.051 1.00 31.21 C ATOM 207 C ALA A 12 14.646 -0.959 -8.206 1.00 65.21 C ATOM 208 O ALA A 12 14.074 -2.030 -8.002 1.00 62.12 O ATOM 209 CB ALA A 12 13.901 1.026 -6.881 1.00 14.44 C ATOM 0 H ALA A 12 16.230 1.616 -7.455 1.00 61.43 H new ATOM 0 HA ALA A 12 15.048 -0.621 -6.141 1.00 31.21 H new ATOM 0 HB1 ALA A 12 12.941 0.534 -6.727 1.00 14.44 H new ATOM 0 HB2 ALA A 12 14.131 1.651 -6.018 1.00 14.44 H new ATOM 0 HB3 ALA A 12 13.852 1.647 -7.776 1.00 14.44 H new ATOM 215 N ASP A 13 15.000 -0.547 -9.419 1.00 22.54 N ATOM 216 CA ASP A 13 14.731 -1.349 -10.607 1.00 3.11 C ATOM 217 C ASP A 13 15.253 -2.772 -10.432 1.00 53.10 C ATOM 218 O ASP A 13 14.602 -3.736 -10.835 1.00 40.50 O ATOM 219 CB ASP A 13 15.372 -0.705 -11.838 1.00 32.53 C ATOM 220 CG ASP A 13 16.850 -0.430 -11.644 1.00 11.52 C ATOM 221 OD1 ASP A 13 17.653 -1.378 -11.770 1.00 74.15 O ATOM 222 OD2 ASP A 13 17.204 0.735 -11.366 1.00 41.11 O ATOM 0 H ASP A 13 15.474 0.337 -9.605 1.00 22.54 H new ATOM 0 HA ASP A 13 13.651 -1.393 -10.749 1.00 3.11 H new ATOM 0 HB2 ASP A 13 15.237 -1.360 -12.699 1.00 32.53 H new ATOM 0 HB3 ASP A 13 14.858 0.229 -12.065 1.00 32.53 H new ATOM 227 N MET A 14 16.431 -2.895 -9.830 1.00 31.14 N ATOM 228 CA MET A 14 17.039 -4.201 -9.602 1.00 3.44 C ATOM 229 C MET A 14 16.076 -5.129 -8.869 1.00 11.01 C ATOM 230 O MET A 14 16.140 -6.349 -9.019 1.00 2.35 O ATOM 231 CB MET A 14 18.332 -4.051 -8.798 1.00 24.12 C ATOM 232 CG MET A 14 19.127 -5.341 -8.680 1.00 65.30 C ATOM 233 SD MET A 14 20.676 -5.289 -9.601 1.00 65.34 S ATOM 234 CE MET A 14 21.866 -5.471 -8.275 1.00 31.44 C ATOM 0 H MET A 14 16.983 -2.107 -9.491 1.00 31.14 H new ATOM 0 HA MET A 14 17.271 -4.640 -10.572 1.00 3.44 H new ATOM 0 HB2 MET A 14 18.956 -3.291 -9.268 1.00 24.12 H new ATOM 0 HB3 MET A 14 18.089 -3.691 -7.798 1.00 24.12 H new ATOM 0 HG2 MET A 14 19.340 -5.537 -7.629 1.00 65.30 H new ATOM 0 HG3 MET A 14 18.521 -6.171 -9.043 1.00 65.30 H new ATOM 0 HE1 MET A 14 22.875 -5.458 -8.687 1.00 31.44 H new ATOM 0 HE2 MET A 14 21.752 -4.649 -7.568 1.00 31.44 H new ATOM 0 HE3 MET A 14 21.696 -6.417 -7.761 1.00 31.44 H new ATOM 244 N ALA A 15 15.184 -4.543 -8.077 1.00 22.15 N ATOM 245 CA ALA A 15 14.207 -5.318 -7.322 1.00 72.13 C ATOM 246 C ALA A 15 13.313 -6.130 -8.254 1.00 0.13 C ATOM 247 O ALA A 15 12.754 -7.153 -7.857 1.00 44.15 O ATOM 248 CB ALA A 15 13.366 -4.399 -6.449 1.00 34.45 C ATOM 0 H ALA A 15 15.118 -3.534 -7.942 1.00 22.15 H new ATOM 0 HA ALA A 15 14.748 -6.015 -6.681 1.00 72.13 H new ATOM 0 HB1 ALA A 15 12.641 -4.991 -5.891 1.00 34.45 H new ATOM 0 HB2 ALA A 15 14.013 -3.867 -5.752 1.00 34.45 H new ATOM 0 HB3 ALA A 15 12.841 -3.680 -7.078 1.00 34.45 H new ATOM 254 N ARG A 16 13.182 -5.667 -9.493 1.00 12.05 N ATOM 255 CA ARG A 16 12.354 -6.350 -10.480 1.00 11.45 C ATOM 256 C ARG A 16 12.782 -7.806 -10.634 1.00 70.03 C ATOM 257 O ARG A 16 11.983 -8.662 -11.016 1.00 72.02 O ATOM 258 CB ARG A 16 12.439 -5.636 -11.830 1.00 4.43 C ATOM 259 CG ARG A 16 11.327 -6.018 -12.793 1.00 23.24 C ATOM 260 CD ARG A 16 11.789 -7.072 -13.786 1.00 62.54 C ATOM 261 NE ARG A 16 12.062 -6.502 -15.103 1.00 0.44 N ATOM 262 CZ ARG A 16 12.104 -7.218 -16.220 1.00 70.42 C ATOM 263 NH1 ARG A 16 11.891 -8.527 -16.181 1.00 45.51 N ATOM 264 NH2 ARG A 16 12.358 -6.627 -17.380 1.00 44.43 N ATOM 0 H ARG A 16 13.638 -4.822 -9.837 1.00 12.05 H new ATOM 0 HA ARG A 16 11.322 -6.328 -10.130 1.00 11.45 H new ATOM 0 HB2 ARG A 16 12.410 -4.559 -11.664 1.00 4.43 H new ATOM 0 HB3 ARG A 16 13.401 -5.862 -12.291 1.00 4.43 H new ATOM 0 HG2 ARG A 16 10.472 -6.395 -12.232 1.00 23.24 H new ATOM 0 HG3 ARG A 16 10.990 -5.132 -13.331 1.00 23.24 H new ATOM 0 HD2 ARG A 16 12.689 -7.557 -13.407 1.00 62.54 H new ATOM 0 HD3 ARG A 16 11.025 -7.844 -13.877 1.00 62.54 H new ATOM 0 HE ARG A 16 12.230 -5.498 -15.168 1.00 0.44 H new ATOM 0 HH11 ARG A 16 11.694 -8.985 -15.291 1.00 45.51 H new ATOM 0 HH12 ARG A 16 11.924 -9.075 -17.041 1.00 45.51 H new ATOM 0 HH21 ARG A 16 12.521 -5.621 -17.415 1.00 44.43 H new ATOM 0 HH22 ARG A 16 12.390 -7.179 -18.237 1.00 44.43 H new ATOM 278 N LEU A 17 14.047 -8.080 -10.336 1.00 61.20 N ATOM 279 CA LEU A 17 14.582 -9.433 -10.442 1.00 63.22 C ATOM 280 C LEU A 17 13.832 -10.389 -9.520 1.00 63.44 C ATOM 281 O LEU A 17 13.867 -11.606 -9.709 1.00 71.13 O ATOM 282 CB LEU A 17 16.073 -9.441 -10.100 1.00 62.33 C ATOM 283 CG LEU A 17 16.420 -9.462 -8.611 1.00 62.42 C ATOM 284 CD1 LEU A 17 16.543 -10.894 -8.112 1.00 41.31 C ATOM 285 CD2 LEU A 17 17.707 -8.693 -8.353 1.00 25.14 C ATOM 0 H LEU A 17 14.721 -7.383 -10.019 1.00 61.20 H new ATOM 0 HA LEU A 17 14.449 -9.770 -11.470 1.00 63.22 H new ATOM 0 HB2 LEU A 17 16.529 -10.312 -10.571 1.00 62.33 H new ATOM 0 HB3 LEU A 17 16.533 -8.560 -10.547 1.00 62.33 H new ATOM 0 HG LEU A 17 15.613 -8.976 -8.062 1.00 62.42 H new ATOM 0 HD11 LEU A 17 16.790 -10.889 -7.050 1.00 41.31 H new ATOM 0 HD12 LEU A 17 15.597 -11.414 -8.262 1.00 41.31 H new ATOM 0 HD13 LEU A 17 17.330 -11.406 -8.666 1.00 41.31 H new ATOM 0 HD21 LEU A 17 17.939 -8.718 -7.288 1.00 25.14 H new ATOM 0 HD22 LEU A 17 18.523 -9.151 -8.913 1.00 25.14 H new ATOM 0 HD23 LEU A 17 17.583 -7.658 -8.673 1.00 25.14 H new ATOM 297 N LEU A 18 13.153 -9.832 -8.524 1.00 43.41 N ATOM 298 CA LEU A 18 12.392 -10.634 -7.573 1.00 70.54 C ATOM 299 C LEU A 18 11.467 -11.607 -8.299 1.00 43.51 C ATOM 300 O LEU A 18 11.215 -12.712 -7.820 1.00 55.55 O ATOM 301 CB LEU A 18 11.575 -9.729 -6.650 1.00 42.20 C ATOM 302 CG LEU A 18 12.370 -8.939 -5.609 1.00 60.43 C ATOM 303 CD1 LEU A 18 11.568 -7.744 -5.120 1.00 1.35 C ATOM 304 CD2 LEU A 18 12.760 -9.836 -4.443 1.00 70.13 C ATOM 0 H LEU A 18 13.114 -8.827 -8.354 1.00 43.41 H new ATOM 0 HA LEU A 18 13.098 -11.210 -6.975 1.00 70.54 H new ATOM 0 HB2 LEU A 18 11.019 -9.022 -7.266 1.00 42.20 H new ATOM 0 HB3 LEU A 18 10.841 -10.343 -6.128 1.00 42.20 H new ATOM 0 HG LEU A 18 13.282 -8.570 -6.079 1.00 60.43 H new ATOM 0 HD11 LEU A 18 12.149 -7.194 -4.380 1.00 1.35 H new ATOM 0 HD12 LEU A 18 11.340 -7.090 -5.962 1.00 1.35 H new ATOM 0 HD13 LEU A 18 10.639 -8.090 -4.667 1.00 1.35 H new ATOM 0 HD21 LEU A 18 13.325 -9.258 -3.712 1.00 70.13 H new ATOM 0 HD22 LEU A 18 11.860 -10.234 -3.974 1.00 70.13 H new ATOM 0 HD23 LEU A 18 13.374 -10.659 -4.807 1.00 70.13 H new ATOM 316 N GLU A 19 10.968 -11.187 -9.458 1.00 33.15 N ATOM 317 CA GLU A 19 10.072 -12.022 -10.250 1.00 23.15 C ATOM 318 C GLU A 19 10.680 -13.403 -10.482 1.00 55.44 C ATOM 319 O GLU A 19 9.961 -14.392 -10.623 1.00 51.40 O ATOM 320 CB GLU A 19 9.769 -11.353 -11.592 1.00 23.21 C ATOM 321 CG GLU A 19 8.349 -11.585 -12.081 1.00 4.03 C ATOM 322 CD GLU A 19 7.844 -10.459 -12.961 1.00 44.53 C ATOM 323 OE1 GLU A 19 8.171 -9.288 -12.672 1.00 63.32 O ATOM 324 OE2 GLU A 19 7.123 -10.747 -13.939 1.00 15.35 O ATOM 0 H GLU A 19 11.169 -10.275 -9.869 1.00 33.15 H new ATOM 0 HA GLU A 19 9.142 -12.142 -9.695 1.00 23.15 H new ATOM 0 HB2 GLU A 19 9.942 -10.281 -11.501 1.00 23.21 H new ATOM 0 HB3 GLU A 19 10.468 -11.727 -12.341 1.00 23.21 H new ATOM 0 HG2 GLU A 19 8.309 -12.522 -12.637 1.00 4.03 H new ATOM 0 HG3 GLU A 19 7.687 -11.695 -11.222 1.00 4.03 H new ATOM 331 N GLN A 20 12.007 -13.460 -10.522 1.00 52.31 N ATOM 332 CA GLN A 20 12.711 -14.718 -10.739 1.00 74.12 C ATOM 333 C GLN A 20 12.274 -15.769 -9.723 1.00 54.55 C ATOM 334 O GLN A 20 12.333 -16.968 -9.992 1.00 63.34 O ATOM 335 CB GLN A 20 14.222 -14.503 -10.650 1.00 25.21 C ATOM 336 CG GLN A 20 15.036 -15.704 -11.105 1.00 34.43 C ATOM 337 CD GLN A 20 16.095 -16.107 -10.098 1.00 31.22 C ATOM 338 OE1 GLN A 20 16.217 -17.280 -9.743 1.00 53.00 O ATOM 339 NE2 GLN A 20 16.869 -15.134 -9.631 1.00 70.23 N ATOM 0 H GLN A 20 12.616 -12.650 -10.407 1.00 52.31 H new ATOM 0 HA GLN A 20 12.461 -15.078 -11.737 1.00 74.12 H new ATOM 0 HB2 GLN A 20 14.494 -13.639 -11.257 1.00 25.21 H new ATOM 0 HB3 GLN A 20 14.487 -14.265 -9.620 1.00 25.21 H new ATOM 0 HG2 GLN A 20 14.367 -16.547 -11.280 1.00 34.43 H new ATOM 0 HG3 GLN A 20 15.514 -15.474 -12.057 1.00 34.43 H new ATOM 0 HE21 GLN A 20 16.733 -14.176 -9.952 1.00 70.23 H new ATOM 0 HE22 GLN A 20 17.599 -15.345 -8.951 1.00 70.23 H new ATOM 348 N TRP A 21 11.835 -15.310 -8.557 1.00 2.50 N ATOM 349 CA TRP A 21 11.388 -16.210 -7.501 1.00 23.45 C ATOM 350 C TRP A 21 10.236 -17.085 -7.982 1.00 40.01 C ATOM 351 O TRP A 21 10.174 -18.273 -7.668 1.00 2.15 O ATOM 352 CB TRP A 21 10.959 -15.412 -6.269 1.00 15.31 C ATOM 353 CG TRP A 21 10.594 -16.275 -5.099 1.00 13.40 C ATOM 354 CD1 TRP A 21 9.430 -16.967 -4.923 1.00 14.35 C ATOM 355 CD2 TRP A 21 11.397 -16.535 -3.943 1.00 31.22 C ATOM 356 NE1 TRP A 21 9.461 -17.642 -3.726 1.00 52.21 N ATOM 357 CE2 TRP A 21 10.657 -17.394 -3.107 1.00 22.24 C ATOM 358 CE3 TRP A 21 12.670 -16.128 -3.533 1.00 75.34 C ATOM 359 CZ2 TRP A 21 11.149 -17.851 -1.887 1.00 2.43 C ATOM 360 CZ3 TRP A 21 13.156 -16.582 -2.322 1.00 43.22 C ATOM 361 CH2 TRP A 21 12.398 -17.436 -1.511 1.00 20.23 C ATOM 0 H TRP A 21 11.779 -14.320 -8.319 1.00 2.50 H new ATOM 0 HA TRP A 21 12.223 -16.857 -7.233 1.00 23.45 H new ATOM 0 HB2 TRP A 21 11.769 -14.742 -5.979 1.00 15.31 H new ATOM 0 HB3 TRP A 21 10.106 -14.786 -6.530 1.00 15.31 H new ATOM 0 HD1 TRP A 21 8.606 -16.982 -5.621 1.00 14.35 H new ATOM 0 HE1 TRP A 21 8.714 -18.232 -3.359 1.00 52.21 H new ATOM 0 HE3 TRP A 21 13.263 -15.471 -4.152 1.00 75.34 H new ATOM 0 HZ2 TRP A 21 10.566 -18.509 -1.260 1.00 2.43 H new ATOM 0 HZ3 TRP A 21 14.138 -16.273 -1.995 1.00 43.22 H new ATOM 0 HH2 TRP A 21 12.807 -17.774 -0.570 1.00 20.23 H new ATOM 372 N GLU A 22 9.326 -16.489 -8.747 1.00 31.45 N ATOM 373 CA GLU A 22 8.175 -17.216 -9.270 1.00 64.33 C ATOM 374 C GLU A 22 8.614 -18.275 -10.278 1.00 33.53 C ATOM 375 O GLU A 22 8.395 -19.470 -10.075 1.00 22.11 O ATOM 376 CB GLU A 22 7.189 -16.249 -9.928 1.00 0.23 C ATOM 377 CG GLU A 22 5.998 -15.904 -9.050 1.00 33.23 C ATOM 378 CD GLU A 22 6.387 -15.088 -7.832 1.00 71.33 C ATOM 379 OE1 GLU A 22 7.548 -14.633 -7.771 1.00 2.23 O ATOM 380 OE2 GLU A 22 5.531 -14.905 -6.942 1.00 22.34 O ATOM 0 H GLU A 22 9.364 -15.506 -9.018 1.00 31.45 H new ATOM 0 HA GLU A 22 7.682 -17.714 -8.435 1.00 64.33 H new ATOM 0 HB2 GLU A 22 7.714 -15.331 -10.191 1.00 0.23 H new ATOM 0 HB3 GLU A 22 6.829 -16.688 -10.859 1.00 0.23 H new ATOM 0 HG2 GLU A 22 5.268 -15.347 -9.637 1.00 33.23 H new ATOM 0 HG3 GLU A 22 5.512 -16.824 -8.726 1.00 33.23 H new ATOM 387 N LYS A 23 9.233 -17.829 -11.365 1.00 1.10 N ATOM 388 CA LYS A 23 9.704 -18.736 -12.405 1.00 74.01 C ATOM 389 C LYS A 23 8.556 -19.581 -12.950 1.00 43.30 C ATOM 390 O LYS A 23 8.773 -20.668 -13.485 1.00 23.33 O ATOM 391 CB LYS A 23 10.805 -19.646 -11.857 1.00 3.10 C ATOM 392 CG LYS A 23 11.672 -20.271 -12.937 1.00 14.41 C ATOM 393 CD LYS A 23 12.157 -21.653 -12.533 1.00 12.55 C ATOM 394 CE LYS A 23 11.230 -22.742 -13.049 1.00 72.12 C ATOM 395 NZ LYS A 23 11.987 -23.883 -13.634 1.00 31.54 N ATOM 0 H LYS A 23 9.421 -16.843 -11.549 1.00 1.10 H new ATOM 0 HA LYS A 23 10.109 -18.136 -13.219 1.00 74.01 H new ATOM 0 HB2 LYS A 23 11.439 -19.070 -11.183 1.00 3.10 H new ATOM 0 HB3 LYS A 23 10.348 -20.439 -11.265 1.00 3.10 H new ATOM 0 HG2 LYS A 23 11.105 -20.341 -13.865 1.00 14.41 H new ATOM 0 HG3 LYS A 23 12.529 -19.627 -13.135 1.00 14.41 H new ATOM 0 HD2 LYS A 23 13.162 -21.815 -12.922 1.00 12.55 H new ATOM 0 HD3 LYS A 23 12.222 -21.714 -11.447 1.00 12.55 H new ATOM 0 HE2 LYS A 23 10.603 -23.102 -12.233 1.00 72.12 H new ATOM 0 HE3 LYS A 23 10.563 -22.324 -13.803 1.00 72.12 H new ATOM 0 HZ1 LYS A 23 11.320 -24.604 -13.974 1.00 31.54 H new ATOM 0 HZ2 LYS A 23 12.566 -23.544 -14.429 1.00 31.54 H new ATOM 0 HZ3 LYS A 23 12.605 -24.298 -12.908 1.00 31.54 H new ATOM 409 N ASP A 24 7.337 -19.073 -12.812 1.00 54.12 N ATOM 410 CA ASP A 24 6.155 -19.780 -13.293 1.00 42.22 C ATOM 411 C ASP A 24 6.140 -19.838 -14.818 1.00 31.05 C ATOM 412 O ASP A 24 5.523 -20.724 -15.409 1.00 30.44 O ATOM 413 CB ASP A 24 4.884 -19.098 -12.784 1.00 22.54 C ATOM 414 CG ASP A 24 4.213 -19.882 -11.673 1.00 10.13 C ATOM 415 OD1 ASP A 24 4.923 -20.321 -10.744 1.00 50.22 O ATOM 416 OD2 ASP A 24 2.978 -20.057 -11.732 1.00 53.23 O ATOM 0 H ASP A 24 7.141 -18.174 -12.371 1.00 54.12 H new ATOM 0 HA ASP A 24 6.190 -20.799 -12.908 1.00 42.22 H new ATOM 0 HB2 ASP A 24 5.130 -18.100 -12.423 1.00 22.54 H new ATOM 0 HB3 ASP A 24 4.185 -18.974 -13.611 1.00 22.54 H new ATOM 421 N ASP A 25 6.821 -18.888 -15.447 1.00 45.45 N ATOM 422 CA ASP A 25 6.886 -18.830 -16.903 1.00 64.42 C ATOM 423 C ASP A 25 5.489 -18.720 -17.506 1.00 22.44 C ATOM 424 O ASP A 25 5.157 -19.423 -18.460 1.00 71.22 O ATOM 425 CB ASP A 25 7.596 -20.069 -17.452 1.00 70.04 C ATOM 426 CG ASP A 25 9.095 -20.022 -17.234 1.00 24.05 C ATOM 427 OD1 ASP A 25 9.542 -20.359 -16.118 1.00 25.35 O ATOM 428 OD2 ASP A 25 9.822 -19.647 -18.178 1.00 32.21 O ATOM 0 H ASP A 25 7.336 -18.147 -14.972 1.00 45.45 H new ATOM 0 HA ASP A 25 7.453 -17.942 -17.182 1.00 64.42 H new ATOM 0 HB2 ASP A 25 7.190 -20.959 -16.972 1.00 70.04 H new ATOM 0 HB3 ASP A 25 7.390 -20.160 -18.518 1.00 70.04 H new ATOM 433 N ASP A 26 4.675 -17.835 -16.941 1.00 63.20 N ATOM 434 CA ASP A 26 3.314 -17.633 -17.422 1.00 74.01 C ATOM 435 C ASP A 26 3.307 -17.295 -18.910 1.00 4.44 C ATOM 436 O ASP A 26 2.327 -17.548 -19.610 1.00 14.04 O ATOM 437 CB ASP A 26 2.630 -16.517 -16.630 1.00 24.43 C ATOM 438 CG ASP A 26 1.540 -17.041 -15.716 1.00 13.40 C ATOM 439 OD1 ASP A 26 0.772 -17.924 -16.153 1.00 0.20 O ATOM 440 OD2 ASP A 26 1.454 -16.568 -14.564 1.00 2.34 O ATOM 0 H ASP A 26 4.934 -17.246 -16.149 1.00 63.20 H new ATOM 0 HA ASP A 26 2.763 -18.562 -17.276 1.00 74.01 H new ATOM 0 HB2 ASP A 26 3.375 -15.988 -16.036 1.00 24.43 H new ATOM 0 HB3 ASP A 26 2.202 -15.793 -17.323 1.00 24.43 H new ATOM 445 N ILE A 27 4.407 -16.720 -19.385 1.00 23.20 N ATOM 446 CA ILE A 27 4.528 -16.347 -20.789 1.00 30.31 C ATOM 447 C ILE A 27 5.983 -16.379 -21.243 1.00 24.11 C ATOM 448 O ILE A 27 6.860 -15.817 -20.587 1.00 62.25 O ATOM 449 CB ILE A 27 3.951 -14.943 -21.050 1.00 61.40 C ATOM 450 CG1 ILE A 27 4.503 -13.944 -20.032 1.00 11.25 C ATOM 451 CG2 ILE A 27 2.431 -14.977 -20.997 1.00 70.21 C ATOM 452 CD1 ILE A 27 3.997 -12.533 -20.234 1.00 53.12 C ATOM 0 H ILE A 27 5.227 -16.502 -18.818 1.00 23.20 H new ATOM 0 HA ILE A 27 3.956 -17.078 -21.360 1.00 30.31 H new ATOM 0 HB ILE A 27 4.253 -14.621 -22.047 1.00 61.40 H new ATOM 0 HG12 ILE A 27 4.238 -14.276 -19.028 1.00 11.25 H new ATOM 0 HG13 ILE A 27 5.591 -13.943 -20.090 1.00 11.25 H new ATOM 0 HG21 ILE A 27 2.038 -13.978 -21.183 1.00 70.21 H new ATOM 0 HG22 ILE A 27 2.056 -15.662 -21.757 1.00 70.21 H new ATOM 0 HG23 ILE A 27 2.109 -15.316 -20.012 1.00 70.21 H new ATOM 0 HD11 ILE A 27 4.430 -11.879 -19.477 1.00 53.12 H new ATOM 0 HD12 ILE A 27 4.285 -12.181 -21.225 1.00 53.12 H new ATOM 0 HD13 ILE A 27 2.911 -12.520 -20.147 1.00 53.12 H new ATOM 1035 N THR A 64 18.170 4.456 -24.412 1.00 44.45 N ATOM 1036 CA THR A 64 16.716 4.517 -24.350 1.00 34.35 C ATOM 1037 C THR A 64 16.175 3.607 -23.252 1.00 54.04 C ATOM 1038 O THR A 64 16.618 2.468 -23.102 1.00 35.51 O ATOM 1039 CB THR A 64 16.078 4.116 -25.693 1.00 41.34 C ATOM 1040 OG1 THR A 64 17.014 3.365 -26.475 1.00 35.11 O ATOM 1041 CG2 THR A 64 15.634 5.347 -26.470 1.00 21.04 C ATOM 0 HA THR A 64 16.452 5.551 -24.126 1.00 34.35 H new ATOM 0 HB THR A 64 15.202 3.501 -25.485 1.00 41.34 H new ATOM 0 HG1 THR A 64 17.902 3.421 -26.065 1.00 35.11 H new ATOM 0 HG21 THR A 64 15.186 5.039 -27.415 1.00 21.04 H new ATOM 0 HG22 THR A 64 14.900 5.902 -25.885 1.00 21.04 H new ATOM 0 HG23 THR A 64 16.497 5.983 -26.668 1.00 21.04 H new ATOM 1049 N LEU A 65 15.215 4.116 -22.488 1.00 54.13 N ATOM 1050 CA LEU A 65 14.612 3.348 -21.404 1.00 53.42 C ATOM 1051 C LEU A 65 13.138 3.072 -21.686 1.00 44.14 C ATOM 1052 O LEU A 65 12.338 3.997 -21.821 1.00 41.14 O ATOM 1053 CB LEU A 65 14.757 4.099 -20.079 1.00 51.13 C ATOM 1054 CG LEU A 65 13.985 3.521 -18.892 1.00 41.34 C ATOM 1055 CD1 LEU A 65 14.939 3.131 -17.774 1.00 63.24 C ATOM 1056 CD2 LEU A 65 12.953 4.520 -18.390 1.00 53.23 C ATOM 0 H LEU A 65 14.837 5.057 -22.599 1.00 54.13 H new ATOM 0 HA LEU A 65 15.134 2.394 -21.334 1.00 53.42 H new ATOM 0 HB2 LEU A 65 15.815 4.133 -19.817 1.00 51.13 H new ATOM 0 HB3 LEU A 65 14.433 5.129 -20.231 1.00 51.13 H new ATOM 0 HG LEU A 65 13.462 2.625 -19.225 1.00 41.34 H new ATOM 0 HD11 LEU A 65 14.372 2.722 -16.938 1.00 63.24 H new ATOM 0 HD12 LEU A 65 15.640 2.380 -18.139 1.00 63.24 H new ATOM 0 HD13 LEU A 65 15.490 4.011 -17.442 1.00 63.24 H new ATOM 0 HD21 LEU A 65 12.413 4.092 -17.545 1.00 53.23 H new ATOM 0 HD22 LEU A 65 13.455 5.434 -18.074 1.00 53.23 H new ATOM 0 HD23 LEU A 65 12.250 4.750 -19.191 1.00 53.23 H new ATOM 1068 N MET A 66 12.787 1.793 -21.772 1.00 45.11 N ATOM 1069 CA MET A 66 11.409 1.395 -22.035 1.00 3.23 C ATOM 1070 C MET A 66 11.206 -0.088 -21.742 1.00 4.04 C ATOM 1071 O MET A 66 11.793 -0.946 -22.400 1.00 42.03 O ATOM 1072 CB MET A 66 11.037 1.695 -23.488 1.00 3.40 C ATOM 1073 CG MET A 66 12.111 1.293 -24.486 1.00 2.03 C ATOM 1074 SD MET A 66 11.599 1.544 -26.196 1.00 44.42 S ATOM 1075 CE MET A 66 12.092 3.248 -26.450 1.00 73.20 C ATOM 0 H MET A 66 13.437 1.015 -21.663 1.00 45.11 H new ATOM 0 HA MET A 66 10.759 1.970 -21.375 1.00 3.23 H new ATOM 0 HB2 MET A 66 10.112 1.173 -23.733 1.00 3.40 H new ATOM 0 HB3 MET A 66 10.838 2.762 -23.591 1.00 3.40 H new ATOM 0 HG2 MET A 66 13.015 1.870 -24.293 1.00 2.03 H new ATOM 0 HG3 MET A 66 12.365 0.244 -24.337 1.00 2.03 H new ATOM 0 HE1 MET A 66 11.586 3.646 -27.330 1.00 73.20 H new ATOM 0 HE2 MET A 66 11.820 3.840 -25.576 1.00 73.20 H new ATOM 0 HE3 MET A 66 13.171 3.296 -26.599 1.00 73.20 H new ATOM 1085 N MET A 67 10.373 -0.382 -20.749 1.00 55.14 N ATOM 1086 CA MET A 67 10.092 -1.762 -20.371 1.00 24.04 C ATOM 1087 C MET A 67 8.697 -1.888 -19.768 1.00 11.34 C ATOM 1088 O MET A 67 8.274 -1.046 -18.975 1.00 3.22 O ATOM 1089 CB MET A 67 11.139 -2.262 -19.373 1.00 12.13 C ATOM 1090 CG MET A 67 12.422 -2.745 -20.029 1.00 30.33 C ATOM 1091 SD MET A 67 13.544 -3.538 -18.860 1.00 53.52 S ATOM 1092 CE MET A 67 15.113 -3.315 -19.694 1.00 3.13 C ATOM 0 H MET A 67 9.881 0.317 -20.192 1.00 55.14 H new ATOM 0 HA MET A 67 10.135 -2.375 -21.271 1.00 24.04 H new ATOM 0 HB2 MET A 67 11.377 -1.459 -18.676 1.00 12.13 H new ATOM 0 HB3 MET A 67 10.711 -3.076 -18.787 1.00 12.13 H new ATOM 0 HG2 MET A 67 12.176 -3.448 -20.825 1.00 30.33 H new ATOM 0 HG3 MET A 67 12.928 -1.900 -20.496 1.00 30.33 H new ATOM 0 HE1 MET A 67 15.608 -4.280 -19.803 1.00 3.13 H new ATOM 0 HE2 MET A 67 14.943 -2.882 -20.680 1.00 3.13 H new ATOM 0 HE3 MET A 67 15.745 -2.647 -19.108 1.00 3.13 H new ATOM 1102 N PHE A 68 7.986 -2.944 -20.148 1.00 55.44 N ATOM 1103 CA PHE A 68 6.637 -3.178 -19.646 1.00 32.40 C ATOM 1104 C PHE A 68 6.424 -4.656 -19.330 1.00 12.25 C ATOM 1105 O PHE A 68 6.535 -5.513 -20.207 1.00 14.53 O ATOM 1106 CB PHE A 68 5.600 -2.710 -20.669 1.00 11.41 C ATOM 1107 CG PHE A 68 5.905 -1.361 -21.257 1.00 34.45 C ATOM 1108 CD1 PHE A 68 5.919 -0.230 -20.457 1.00 3.20 C ATOM 1109 CD2 PHE A 68 6.177 -1.226 -22.608 1.00 53.52 C ATOM 1110 CE1 PHE A 68 6.198 1.012 -20.995 1.00 45.04 C ATOM 1111 CE2 PHE A 68 6.457 0.014 -23.152 1.00 61.23 C ATOM 1112 CZ PHE A 68 6.469 1.134 -22.344 1.00 71.15 C ATOM 0 H PHE A 68 8.321 -3.651 -20.802 1.00 55.44 H new ATOM 0 HA PHE A 68 6.514 -2.605 -18.727 1.00 32.40 H new ATOM 0 HB2 PHE A 68 5.538 -3.443 -21.474 1.00 11.41 H new ATOM 0 HB3 PHE A 68 4.620 -2.677 -20.192 1.00 11.41 H new ATOM 0 HD1 PHE A 68 5.710 -0.320 -19.401 1.00 3.20 H new ATOM 0 HD2 PHE A 68 6.170 -2.099 -23.244 1.00 53.52 H new ATOM 0 HE1 PHE A 68 6.204 1.886 -20.361 1.00 45.04 H new ATOM 0 HE2 PHE A 68 6.666 0.107 -24.208 1.00 61.23 H new ATOM 0 HZ PHE A 68 6.690 2.103 -22.766 1.00 71.15 H new ATOM 1122 N VAL A 69 6.118 -4.947 -18.069 1.00 52.31 N ATOM 1123 CA VAL A 69 5.889 -6.320 -17.635 1.00 55.24 C ATOM 1124 C VAL A 69 4.808 -6.384 -16.562 1.00 0.22 C ATOM 1125 O VAL A 69 4.627 -5.442 -15.790 1.00 12.43 O ATOM 1126 CB VAL A 69 7.179 -6.958 -17.088 1.00 71.42 C ATOM 1127 CG1 VAL A 69 6.972 -8.443 -16.828 1.00 15.42 C ATOM 1128 CG2 VAL A 69 8.334 -6.734 -18.052 1.00 61.23 C ATOM 0 H VAL A 69 6.023 -4.250 -17.330 1.00 52.31 H new ATOM 0 HA VAL A 69 5.560 -6.878 -18.511 1.00 55.24 H new ATOM 0 HB VAL A 69 7.427 -6.479 -16.141 1.00 71.42 H new ATOM 0 HG11 VAL A 69 7.894 -8.877 -16.442 1.00 15.42 H new ATOM 0 HG12 VAL A 69 6.174 -8.577 -16.097 1.00 15.42 H new ATOM 0 HG13 VAL A 69 6.699 -8.941 -17.758 1.00 15.42 H new ATOM 0 HG21 VAL A 69 9.238 -7.191 -17.650 1.00 61.23 H new ATOM 0 HG22 VAL A 69 8.097 -7.186 -19.015 1.00 61.23 H new ATOM 0 HG23 VAL A 69 8.496 -5.664 -18.183 1.00 61.23 H new ATOM 1138 N THR A 70 4.091 -7.503 -16.517 1.00 40.54 N ATOM 1139 CA THR A 70 3.027 -7.690 -15.539 1.00 63.30 C ATOM 1140 C THR A 70 2.529 -9.131 -15.538 1.00 50.13 C ATOM 1141 O THR A 70 1.553 -9.461 -16.211 1.00 75.14 O ATOM 1142 CB THR A 70 1.840 -6.748 -15.813 1.00 34.44 C ATOM 1143 OG1 THR A 70 0.715 -7.133 -15.014 1.00 22.01 O ATOM 1144 CG2 THR A 70 1.456 -6.775 -17.284 1.00 74.24 C ATOM 0 H THR A 70 4.228 -8.293 -17.147 1.00 40.54 H new ATOM 0 HA THR A 70 3.450 -7.454 -14.562 1.00 63.30 H new ATOM 0 HB THR A 70 2.142 -5.734 -15.551 1.00 34.44 H new ATOM 0 HG1 THR A 70 0.266 -6.331 -14.673 1.00 22.01 H new ATOM 0 HG21 THR A 70 0.615 -6.102 -17.453 1.00 74.24 H new ATOM 0 HG22 THR A 70 2.305 -6.454 -17.888 1.00 74.24 H new ATOM 0 HG23 THR A 70 1.172 -7.788 -17.567 1.00 74.24 H new ATOM 1152 N VAL A 71 3.205 -9.986 -14.778 1.00 5.13 N ATOM 1153 CA VAL A 71 2.830 -11.392 -14.688 1.00 11.20 C ATOM 1154 C VAL A 71 3.693 -12.127 -13.669 1.00 33.23 C ATOM 1155 O VAL A 71 4.773 -11.663 -13.305 1.00 1.15 O ATOM 1156 CB VAL A 71 2.955 -12.095 -16.053 1.00 5.42 C ATOM 1157 CG1 VAL A 71 4.417 -12.333 -16.398 1.00 65.22 C ATOM 1158 CG2 VAL A 71 2.179 -13.403 -16.051 1.00 41.24 C ATOM 0 H VAL A 71 4.016 -9.729 -14.215 1.00 5.13 H new ATOM 0 HA VAL A 71 1.789 -11.422 -14.367 1.00 11.20 H new ATOM 0 HB VAL A 71 2.527 -11.447 -16.818 1.00 5.42 H new ATOM 0 HG11 VAL A 71 4.486 -12.830 -17.365 1.00 65.22 H new ATOM 0 HG12 VAL A 71 4.940 -11.378 -16.443 1.00 65.22 H new ATOM 0 HG13 VAL A 71 4.874 -12.961 -15.633 1.00 65.22 H new ATOM 0 HG21 VAL A 71 2.278 -13.886 -17.023 1.00 41.24 H new ATOM 0 HG22 VAL A 71 2.575 -14.060 -15.277 1.00 41.24 H new ATOM 0 HG23 VAL A 71 1.127 -13.201 -15.852 1.00 41.24 H new ATOM 1168 N SER A 72 3.209 -13.278 -13.212 1.00 14.31 N ATOM 1169 CA SER A 72 3.934 -14.077 -12.231 1.00 41.24 C ATOM 1170 C SER A 72 4.939 -14.998 -12.917 1.00 52.43 C ATOM 1171 O SER A 72 4.568 -15.845 -13.729 1.00 2.41 O ATOM 1172 CB SER A 72 2.957 -14.904 -11.393 1.00 5.53 C ATOM 1173 OG SER A 72 1.969 -15.507 -12.209 1.00 31.41 O ATOM 0 H SER A 72 2.318 -13.678 -13.506 1.00 14.31 H new ATOM 0 HA SER A 72 4.478 -13.397 -11.576 1.00 41.24 H new ATOM 0 HB2 SER A 72 3.502 -15.674 -10.848 1.00 5.53 H new ATOM 0 HB3 SER A 72 2.479 -14.265 -10.650 1.00 5.53 H new ATOM 0 HG SER A 72 2.368 -15.773 -13.063 1.00 31.41 H new ATOM 1179 N GLY A 73 6.214 -14.824 -12.584 1.00 64.32 N ATOM 1180 CA GLY A 73 7.254 -15.646 -13.176 1.00 51.35 C ATOM 1181 C GLY A 73 7.977 -14.940 -14.307 1.00 33.32 C ATOM 1182 O GLY A 73 7.413 -14.737 -15.381 1.00 41.51 O ATOM 0 H GLY A 73 6.546 -14.129 -11.915 1.00 64.32 H new ATOM 0 HA2 GLY A 73 7.974 -15.925 -12.407 1.00 51.35 H new ATOM 0 HA3 GLY A 73 6.813 -16.570 -13.551 1.00 51.35 H new ATOM 1186 N ASN A 74 9.228 -14.565 -14.064 1.00 3.14 N ATOM 1187 CA ASN A 74 10.029 -13.876 -15.069 1.00 54.24 C ATOM 1188 C ASN A 74 11.468 -13.704 -14.595 1.00 25.21 C ATOM 1189 O ASN A 74 11.894 -12.617 -14.205 1.00 45.21 O ATOM 1190 CB ASN A 74 9.419 -12.509 -15.388 1.00 74.30 C ATOM 1191 CG ASN A 74 8.577 -12.532 -16.649 1.00 54.11 C ATOM 1192 OD1 ASN A 74 7.399 -12.175 -16.629 1.00 14.23 O ATOM 1193 ND2 ASN A 74 9.179 -12.953 -17.755 1.00 31.40 N ATOM 0 H ASN A 74 9.709 -14.727 -13.179 1.00 3.14 H new ATOM 0 HA ASN A 74 10.034 -14.485 -15.973 1.00 54.24 H new ATOM 0 HB2 ASN A 74 8.803 -12.184 -14.549 1.00 74.30 H new ATOM 0 HB3 ASN A 74 10.217 -11.775 -15.501 1.00 74.30 H new ATOM 0 HD21 ASN A 74 8.663 -12.990 -18.634 1.00 31.40 H new ATOM 0 HD22 ASN A 74 10.157 -13.239 -17.726 1.00 31.40 H new ATOM 1200 N PRO A 75 12.237 -14.803 -14.629 1.00 4.35 N ATOM 1201 CA PRO A 75 13.641 -14.799 -14.207 1.00 23.53 C ATOM 1202 C PRO A 75 14.534 -14.026 -15.170 1.00 44.35 C ATOM 1203 O PRO A 75 14.913 -14.533 -16.227 1.00 35.10 O ATOM 1204 CB PRO A 75 14.015 -16.284 -14.206 1.00 51.13 C ATOM 1205 CG PRO A 75 13.078 -16.911 -15.181 1.00 5.52 C ATOM 1206 CD PRO A 75 11.796 -16.132 -15.081 1.00 74.44 C ATOM 0 HA PRO A 75 13.775 -14.310 -13.242 1.00 23.53 H new ATOM 0 HB2 PRO A 75 15.053 -16.431 -14.504 1.00 51.13 H new ATOM 0 HB3 PRO A 75 13.903 -16.720 -13.213 1.00 51.13 H new ATOM 0 HG2 PRO A 75 13.482 -16.870 -16.193 1.00 5.52 H new ATOM 0 HG3 PRO A 75 12.915 -17.963 -14.945 1.00 5.52 H new ATOM 0 HD2 PRO A 75 11.282 -16.080 -16.041 1.00 74.44 H new ATOM 0 HD3 PRO A 75 11.104 -16.588 -14.373 1.00 74.44 H new ATOM 1214 N THR A 76 14.870 -12.794 -14.800 1.00 55.40 N ATOM 1215 CA THR A 76 15.718 -11.949 -15.632 1.00 33.51 C ATOM 1216 C THR A 76 16.498 -10.950 -14.786 1.00 21.35 C ATOM 1217 O THR A 76 16.532 -9.759 -15.091 1.00 3.34 O ATOM 1218 CB THR A 76 14.891 -11.182 -16.680 1.00 54.52 C ATOM 1219 OG1 THR A 76 13.699 -10.663 -16.080 1.00 12.35 O ATOM 1220 CG2 THR A 76 14.524 -12.085 -17.848 1.00 2.10 C ATOM 0 H THR A 76 14.567 -12.359 -13.929 1.00 55.40 H new ATOM 0 HA THR A 76 16.417 -12.610 -16.145 1.00 33.51 H new ATOM 0 HB THR A 76 15.498 -10.358 -17.055 1.00 54.52 H new ATOM 0 HG1 THR A 76 13.938 -10.033 -15.369 1.00 12.35 H new ATOM 0 HG21 THR A 76 13.940 -11.520 -18.575 1.00 2.10 H new ATOM 0 HG22 THR A 76 15.433 -12.455 -18.322 1.00 2.10 H new ATOM 0 HG23 THR A 76 13.935 -12.928 -17.485 1.00 2.10 H new ATOM 1228 N GLU A 77 17.124 -11.444 -13.722 1.00 30.22 N ATOM 1229 CA GLU A 77 17.904 -10.593 -12.832 1.00 1.44 C ATOM 1230 C GLU A 77 18.982 -9.839 -13.606 1.00 13.11 C ATOM 1231 O GLU A 77 19.430 -8.771 -13.189 1.00 4.04 O ATOM 1232 CB GLU A 77 18.548 -11.429 -11.724 1.00 15.04 C ATOM 1233 CG GLU A 77 19.426 -12.554 -12.243 1.00 24.30 C ATOM 1234 CD GLU A 77 19.939 -13.453 -11.135 1.00 21.24 C ATOM 1235 OE1 GLU A 77 19.510 -13.269 -9.976 1.00 42.11 O ATOM 1236 OE2 GLU A 77 20.769 -14.340 -11.425 1.00 33.01 O ATOM 0 H GLU A 77 17.106 -12.429 -13.456 1.00 30.22 H new ATOM 0 HA GLU A 77 17.228 -9.866 -12.382 1.00 1.44 H new ATOM 0 HB2 GLU A 77 19.146 -10.776 -11.089 1.00 15.04 H new ATOM 0 HB3 GLU A 77 17.763 -11.852 -11.097 1.00 15.04 H new ATOM 0 HG2 GLU A 77 18.860 -13.151 -12.958 1.00 24.30 H new ATOM 0 HG3 GLU A 77 20.273 -12.130 -12.783 1.00 24.30 H new ATOM 1243 N LYS A 78 19.393 -10.403 -14.736 1.00 44.13 N ATOM 1244 CA LYS A 78 20.418 -9.786 -15.571 1.00 34.21 C ATOM 1245 C LYS A 78 19.885 -8.525 -16.243 1.00 53.11 C ATOM 1246 O LYS A 78 20.548 -7.488 -16.251 1.00 73.33 O ATOM 1247 CB LYS A 78 20.904 -10.776 -16.632 1.00 50.21 C ATOM 1248 CG LYS A 78 22.414 -10.933 -16.670 1.00 42.25 C ATOM 1249 CD LYS A 78 23.080 -9.758 -17.367 1.00 55.15 C ATOM 1250 CE LYS A 78 24.530 -9.603 -16.937 1.00 21.11 C ATOM 1251 NZ LYS A 78 25.417 -10.594 -17.608 1.00 14.21 N ATOM 0 H LYS A 78 19.032 -11.287 -15.095 1.00 44.13 H new ATOM 0 HA LYS A 78 21.255 -9.509 -14.931 1.00 34.21 H new ATOM 0 HB2 LYS A 78 20.450 -11.749 -16.444 1.00 50.21 H new ATOM 0 HB3 LYS A 78 20.557 -10.446 -17.611 1.00 50.21 H new ATOM 0 HG2 LYS A 78 22.797 -11.019 -15.653 1.00 42.25 H new ATOM 0 HG3 LYS A 78 22.672 -11.857 -17.187 1.00 42.25 H new ATOM 0 HD2 LYS A 78 23.033 -9.900 -18.447 1.00 55.15 H new ATOM 0 HD3 LYS A 78 22.533 -8.843 -17.142 1.00 55.15 H new ATOM 0 HE2 LYS A 78 24.872 -8.594 -17.169 1.00 21.11 H new ATOM 0 HE3 LYS A 78 24.603 -9.724 -15.856 1.00 21.11 H new ATOM 0 HZ1 LYS A 78 26.397 -10.455 -17.288 1.00 14.21 H new ATOM 0 HZ2 LYS A 78 25.107 -11.557 -17.366 1.00 14.21 H new ATOM 0 HZ3 LYS A 78 25.367 -10.463 -18.638 1.00 14.21 H new ATOM 1265 N GLU A 79 18.683 -8.621 -16.804 1.00 64.02 N ATOM 1266 CA GLU A 79 18.063 -7.487 -17.478 1.00 14.52 C ATOM 1267 C GLU A 79 17.715 -6.385 -16.480 1.00 45.04 C ATOM 1268 O GLU A 79 17.870 -5.198 -16.769 1.00 41.24 O ATOM 1269 CB GLU A 79 16.801 -7.933 -18.220 1.00 64.41 C ATOM 1270 CG GLU A 79 16.479 -7.084 -19.438 1.00 71.11 C ATOM 1271 CD GLU A 79 16.956 -7.715 -20.732 1.00 1.31 C ATOM 1272 OE1 GLU A 79 17.933 -8.491 -20.688 1.00 24.34 O ATOM 1273 OE2 GLU A 79 16.353 -7.432 -21.788 1.00 43.12 O ATOM 0 H GLU A 79 18.120 -9.472 -16.805 1.00 64.02 H new ATOM 0 HA GLU A 79 18.779 -7.090 -18.198 1.00 14.52 H new ATOM 0 HB2 GLU A 79 16.921 -8.970 -18.532 1.00 64.41 H new ATOM 0 HB3 GLU A 79 15.956 -7.903 -17.533 1.00 64.41 H new ATOM 0 HG2 GLU A 79 15.402 -6.925 -19.491 1.00 71.11 H new ATOM 0 HG3 GLU A 79 16.941 -6.103 -19.325 1.00 71.11 H new ATOM 1280 N THR A 80 17.244 -6.787 -15.304 1.00 4.21 N ATOM 1281 CA THR A 80 16.873 -5.836 -14.264 1.00 3.31 C ATOM 1282 C THR A 80 18.024 -4.886 -13.952 1.00 0.14 C ATOM 1283 O THR A 80 17.836 -3.672 -13.879 1.00 60.04 O ATOM 1284 CB THR A 80 16.451 -6.555 -12.969 1.00 72.33 C ATOM 1285 OG1 THR A 80 17.595 -7.142 -12.339 1.00 71.43 O ATOM 1286 CG2 THR A 80 15.418 -7.633 -13.262 1.00 33.03 C ATOM 0 H THR A 80 17.110 -7.765 -15.048 1.00 4.21 H new ATOM 0 HA THR A 80 16.027 -5.265 -14.646 1.00 3.31 H new ATOM 0 HB THR A 80 16.006 -5.819 -12.299 1.00 72.33 H new ATOM 0 HG1 THR A 80 18.124 -7.625 -13.007 1.00 71.43 H new ATOM 0 HG21 THR A 80 15.135 -8.128 -12.333 1.00 33.03 H new ATOM 0 HG22 THR A 80 14.537 -7.179 -13.715 1.00 33.03 H new ATOM 0 HG23 THR A 80 15.842 -8.366 -13.949 1.00 33.03 H new ATOM 1294 N GLU A 81 19.215 -5.447 -13.768 1.00 2.11 N ATOM 1295 CA GLU A 81 20.396 -4.648 -13.463 1.00 43.10 C ATOM 1296 C GLU A 81 20.658 -3.622 -14.562 1.00 71.33 C ATOM 1297 O GLU A 81 21.097 -2.505 -14.291 1.00 31.42 O ATOM 1298 CB GLU A 81 21.620 -5.551 -13.291 1.00 14.30 C ATOM 1299 CG GLU A 81 22.920 -4.786 -13.110 1.00 50.24 C ATOM 1300 CD GLU A 81 24.080 -5.687 -12.734 1.00 73.42 C ATOM 1301 OE1 GLU A 81 24.215 -6.767 -13.347 1.00 25.15 O ATOM 1302 OE2 GLU A 81 24.852 -5.312 -11.827 1.00 71.31 O ATOM 0 H GLU A 81 19.387 -6.451 -13.825 1.00 2.11 H new ATOM 0 HA GLU A 81 20.212 -4.116 -12.530 1.00 43.10 H new ATOM 0 HB2 GLU A 81 21.465 -6.198 -12.427 1.00 14.30 H new ATOM 0 HB3 GLU A 81 21.708 -6.199 -14.163 1.00 14.30 H new ATOM 0 HG2 GLU A 81 23.159 -4.259 -14.034 1.00 50.24 H new ATOM 0 HG3 GLU A 81 22.787 -4.029 -12.337 1.00 50.24 H new ATOM 1309 N GLU A 82 20.385 -4.012 -15.804 1.00 3.31 N ATOM 1310 CA GLU A 82 20.593 -3.127 -16.944 1.00 54.31 C ATOM 1311 C GLU A 82 19.703 -1.891 -16.843 1.00 2.14 C ATOM 1312 O GLU A 82 20.025 -0.835 -17.389 1.00 74.54 O ATOM 1313 CB GLU A 82 20.307 -3.868 -18.252 1.00 21.01 C ATOM 1314 CG GLU A 82 21.456 -3.815 -19.245 1.00 11.01 C ATOM 1315 CD GLU A 82 21.704 -5.149 -19.922 1.00 54.12 C ATOM 1316 OE1 GLU A 82 20.718 -5.795 -20.336 1.00 64.24 O ATOM 1317 OE2 GLU A 82 22.882 -5.546 -20.038 1.00 34.51 O ATOM 0 H GLU A 82 20.020 -4.933 -16.045 1.00 3.31 H new ATOM 0 HA GLU A 82 21.635 -2.806 -16.936 1.00 54.31 H new ATOM 0 HB2 GLU A 82 20.080 -4.910 -18.027 1.00 21.01 H new ATOM 0 HB3 GLU A 82 19.418 -3.441 -18.715 1.00 21.01 H new ATOM 0 HG2 GLU A 82 21.242 -3.061 -20.003 1.00 11.01 H new ATOM 0 HG3 GLU A 82 22.363 -3.499 -18.729 1.00 11.01 H new ATOM 1324 N ILE A 83 18.584 -2.031 -16.140 1.00 1.10 N ATOM 1325 CA ILE A 83 17.649 -0.927 -15.966 1.00 53.32 C ATOM 1326 C ILE A 83 18.311 0.247 -15.253 1.00 15.50 C ATOM 1327 O ILE A 83 18.113 1.405 -15.623 1.00 14.30 O ATOM 1328 CB ILE A 83 16.405 -1.362 -15.169 1.00 23.43 C ATOM 1329 CG1 ILE A 83 15.701 -2.524 -15.874 1.00 4.33 C ATOM 1330 CG2 ILE A 83 15.453 -0.189 -14.989 1.00 63.33 C ATOM 1331 CD1 ILE A 83 14.590 -3.143 -15.056 1.00 13.43 C ATOM 0 H ILE A 83 18.303 -2.898 -15.682 1.00 1.10 H new ATOM 0 HA ILE A 83 17.340 -0.616 -16.964 1.00 53.32 H new ATOM 0 HB ILE A 83 16.724 -1.700 -14.183 1.00 23.43 H new ATOM 0 HG12 ILE A 83 15.291 -2.170 -16.820 1.00 4.33 H new ATOM 0 HG13 ILE A 83 16.436 -3.292 -16.113 1.00 4.33 H new ATOM 0 HG21 ILE A 83 14.579 -0.513 -14.424 1.00 63.33 H new ATOM 0 HG22 ILE A 83 15.959 0.611 -14.448 1.00 63.33 H new ATOM 0 HG23 ILE A 83 15.138 0.177 -15.966 1.00 63.33 H new ATOM 0 HD11 ILE A 83 14.136 -3.959 -15.618 1.00 13.43 H new ATOM 0 HD12 ILE A 83 14.998 -3.528 -14.121 1.00 13.43 H new ATOM 0 HD13 ILE A 83 13.834 -2.388 -14.839 1.00 13.43 H new ATOM 1343 N THR A 84 19.100 -0.059 -14.228 1.00 10.50 N ATOM 1344 CA THR A 84 19.792 0.971 -13.463 1.00 23.53 C ATOM 1345 C THR A 84 20.551 1.921 -14.381 1.00 3.50 C ATOM 1346 O THR A 84 20.516 3.138 -14.197 1.00 13.02 O ATOM 1347 CB THR A 84 20.779 0.352 -12.454 1.00 51.31 C ATOM 1348 OG1 THR A 84 20.070 -0.458 -11.509 1.00 44.34 O ATOM 1349 CG2 THR A 84 21.553 1.437 -11.720 1.00 31.20 C ATOM 0 H THR A 84 19.276 -1.012 -13.908 1.00 10.50 H new ATOM 0 HA THR A 84 19.029 1.528 -12.920 1.00 23.53 H new ATOM 0 HB THR A 84 21.487 -0.268 -13.004 1.00 51.31 H new ATOM 0 HG1 THR A 84 19.376 -0.971 -11.973 1.00 44.34 H new ATOM 0 HG21 THR A 84 22.243 0.977 -11.013 1.00 31.20 H new ATOM 0 HG22 THR A 84 22.114 2.033 -12.439 1.00 31.20 H new ATOM 0 HG23 THR A 84 20.857 2.079 -11.181 1.00 31.20 H new ATOM 1357 N SER A 85 21.237 1.359 -15.371 1.00 43.20 N ATOM 1358 CA SER A 85 22.008 2.158 -16.317 1.00 31.21 C ATOM 1359 C SER A 85 21.085 2.958 -17.231 1.00 32.01 C ATOM 1360 O SER A 85 21.399 4.084 -17.618 1.00 51.31 O ATOM 1361 CB SER A 85 22.918 1.257 -17.154 1.00 41.33 C ATOM 1362 OG SER A 85 23.731 0.443 -16.327 1.00 41.30 O ATOM 0 H SER A 85 21.275 0.354 -15.539 1.00 43.20 H new ATOM 0 HA SER A 85 22.623 2.857 -15.749 1.00 31.21 H new ATOM 0 HB2 SER A 85 22.312 0.628 -17.806 1.00 41.33 H new ATOM 0 HB3 SER A 85 23.548 1.870 -17.799 1.00 41.33 H new ATOM 0 HG SER A 85 24.302 -0.124 -16.886 1.00 41.30 H new ATOM 1368 N LEU A 86 19.944 2.368 -17.572 1.00 45.22 N ATOM 1369 CA LEU A 86 18.974 3.025 -18.441 1.00 33.30 C ATOM 1370 C LEU A 86 18.459 4.313 -17.807 1.00 33.34 C ATOM 1371 O LEU A 86 18.188 5.293 -18.501 1.00 31.33 O ATOM 1372 CB LEU A 86 17.804 2.084 -18.734 1.00 33.21 C ATOM 1373 CG LEU A 86 18.124 0.863 -19.597 1.00 21.21 C ATOM 1374 CD1 LEU A 86 16.864 0.056 -19.869 1.00 21.12 C ATOM 1375 CD2 LEU A 86 18.778 1.290 -20.903 1.00 25.42 C ATOM 0 H LEU A 86 19.668 1.437 -17.260 1.00 45.22 H new ATOM 0 HA LEU A 86 19.473 3.277 -19.377 1.00 33.30 H new ATOM 0 HB2 LEU A 86 17.397 1.736 -17.784 1.00 33.21 H new ATOM 0 HB3 LEU A 86 17.018 2.656 -19.227 1.00 33.21 H new ATOM 0 HG LEU A 86 18.825 0.231 -19.052 1.00 21.21 H new ATOM 0 HD11 LEU A 86 17.112 -0.809 -20.485 1.00 21.12 H new ATOM 0 HD12 LEU A 86 16.437 -0.281 -18.925 1.00 21.12 H new ATOM 0 HD13 LEU A 86 16.139 0.679 -20.393 1.00 21.12 H new ATOM 0 HD21 LEU A 86 18.999 0.408 -21.505 1.00 25.42 H new ATOM 0 HD22 LEU A 86 18.101 1.944 -21.452 1.00 25.42 H new ATOM 0 HD23 LEU A 86 19.704 1.824 -20.689 1.00 25.42 H new ATOM 1387 N TRP A 87 18.328 4.304 -16.485 1.00 63.21 N ATOM 1388 CA TRP A 87 17.848 5.473 -15.757 1.00 30.32 C ATOM 1389 C TRP A 87 18.643 6.716 -16.138 1.00 40.54 C ATOM 1390 O TRP A 87 18.077 7.796 -16.312 1.00 24.43 O ATOM 1391 CB TRP A 87 17.943 5.234 -14.249 1.00 0.20 C ATOM 1392 CG TRP A 87 16.814 4.413 -13.705 1.00 73.52 C ATOM 1393 CD1 TRP A 87 15.738 3.937 -14.399 1.00 61.42 C ATOM 1394 CD2 TRP A 87 16.648 3.972 -12.353 1.00 11.20 C ATOM 1395 NE1 TRP A 87 14.914 3.227 -13.560 1.00 15.02 N ATOM 1396 CE2 TRP A 87 15.450 3.233 -12.299 1.00 52.34 C ATOM 1397 CE3 TRP A 87 17.396 4.128 -11.183 1.00 14.42 C ATOM 1398 CZ2 TRP A 87 14.985 2.655 -11.122 1.00 35.44 C ATOM 1399 CZ3 TRP A 87 16.932 3.554 -10.015 1.00 23.34 C ATOM 1400 CH2 TRP A 87 15.737 2.824 -9.991 1.00 34.51 C ATOM 0 H TRP A 87 18.547 3.501 -15.896 1.00 63.21 H new ATOM 0 HA TRP A 87 16.805 5.635 -16.027 1.00 30.32 H new ATOM 0 HB2 TRP A 87 18.886 4.735 -14.026 1.00 0.20 H new ATOM 0 HB3 TRP A 87 17.963 6.196 -13.737 1.00 0.20 H new ATOM 0 HD1 TRP A 87 15.561 4.096 -15.453 1.00 61.42 H new ATOM 0 HE1 TRP A 87 14.044 2.769 -13.832 1.00 15.02 H new ATOM 0 HE3 TRP A 87 18.320 4.687 -11.192 1.00 14.42 H new ATOM 0 HZ2 TRP A 87 14.063 2.093 -11.102 1.00 35.44 H new ATOM 0 HZ3 TRP A 87 17.501 3.670 -9.104 1.00 23.34 H new ATOM 0 HH2 TRP A 87 15.402 2.386 -9.062 1.00 34.51 H new ATOM 1411 N GLN A 88 19.956 6.558 -16.268 1.00 23.43 N ATOM 1412 CA GLN A 88 20.828 7.669 -16.629 1.00 11.44 C ATOM 1413 C GLN A 88 20.319 8.376 -17.881 1.00 30.13 C ATOM 1414 O GLN A 88 20.362 9.602 -17.975 1.00 35.24 O ATOM 1415 CB GLN A 88 22.257 7.172 -16.854 1.00 52.32 C ATOM 1416 CG GLN A 88 22.956 6.731 -15.579 1.00 20.04 C ATOM 1417 CD GLN A 88 24.002 7.725 -15.113 1.00 32.44 C ATOM 1418 OE1 GLN A 88 23.694 8.677 -14.395 1.00 70.21 O ATOM 1419 NE2 GLN A 88 25.247 7.508 -15.519 1.00 24.22 N ATOM 0 H GLN A 88 20.439 5.671 -16.129 1.00 23.43 H new ATOM 0 HA GLN A 88 20.825 8.382 -15.805 1.00 11.44 H new ATOM 0 HB2 GLN A 88 22.236 6.337 -17.554 1.00 52.32 H new ATOM 0 HB3 GLN A 88 22.839 7.966 -17.322 1.00 52.32 H new ATOM 0 HG2 GLN A 88 22.215 6.594 -14.792 1.00 20.04 H new ATOM 0 HG3 GLN A 88 23.429 5.763 -15.744 1.00 20.04 H new ATOM 0 HE21 GLN A 88 25.457 6.706 -16.113 1.00 24.22 H new ATOM 0 HE22 GLN A 88 25.994 8.143 -15.236 1.00 24.22 H new ATOM 1428 N GLY A 89 19.838 7.593 -18.842 1.00 14.12 N ATOM 1429 CA GLY A 89 19.328 8.162 -20.076 1.00 32.32 C ATOM 1430 C GLY A 89 18.079 8.993 -19.859 1.00 32.41 C ATOM 1431 O GLY A 89 18.027 10.161 -20.244 1.00 25.31 O ATOM 0 H GLY A 89 19.792 6.575 -18.788 1.00 14.12 H new ATOM 0 HA2 GLY A 89 20.099 8.783 -20.532 1.00 32.32 H new ATOM 0 HA3 GLY A 89 19.108 7.359 -20.779 1.00 32.32 H new ATOM 1435 N SER A 90 17.068 8.389 -19.242 1.00 30.11 N ATOM 1436 CA SER A 90 15.811 9.079 -18.979 1.00 53.34 C ATOM 1437 C SER A 90 16.058 10.405 -18.265 1.00 35.40 C ATOM 1438 O SER A 90 15.295 11.359 -18.422 1.00 1.34 O ATOM 1439 CB SER A 90 14.886 8.198 -18.138 1.00 24.55 C ATOM 1440 OG SER A 90 15.612 7.513 -17.131 1.00 60.12 O ATOM 0 H SER A 90 17.095 7.423 -18.915 1.00 30.11 H new ATOM 0 HA SER A 90 15.332 9.285 -19.936 1.00 53.34 H new ATOM 0 HB2 SER A 90 14.112 8.812 -17.679 1.00 24.55 H new ATOM 0 HB3 SER A 90 14.381 7.477 -18.781 1.00 24.55 H new ATOM 0 HG SER A 90 16.409 8.031 -16.893 1.00 60.12 H new ATOM 1446 N LEU A 91 17.128 10.456 -17.480 1.00 31.41 N ATOM 1447 CA LEU A 91 17.477 11.663 -16.740 1.00 43.41 C ATOM 1448 C LEU A 91 17.517 12.876 -17.665 1.00 23.13 C ATOM 1449 O LEU A 91 16.926 13.915 -17.369 1.00 62.24 O ATOM 1450 CB LEU A 91 18.831 11.489 -16.050 1.00 63.12 C ATOM 1451 CG LEU A 91 19.110 12.424 -14.873 1.00 21.33 C ATOM 1452 CD1 LEU A 91 19.876 11.693 -13.781 1.00 11.03 C ATOM 1453 CD2 LEU A 91 19.881 13.651 -15.337 1.00 14.10 C ATOM 0 H LEU A 91 17.769 9.675 -17.339 1.00 31.41 H new ATOM 0 HA LEU A 91 16.710 11.830 -15.984 1.00 43.41 H new ATOM 0 HB2 LEU A 91 18.907 10.461 -15.697 1.00 63.12 H new ATOM 0 HB3 LEU A 91 19.616 11.629 -16.793 1.00 63.12 H new ATOM 0 HG LEU A 91 18.156 12.753 -14.462 1.00 21.33 H new ATOM 0 HD11 LEU A 91 20.066 12.374 -12.951 1.00 11.03 H new ATOM 0 HD12 LEU A 91 19.287 10.846 -13.428 1.00 11.03 H new ATOM 0 HD13 LEU A 91 20.825 11.334 -14.180 1.00 11.03 H new ATOM 0 HD21 LEU A 91 20.070 14.305 -14.486 1.00 14.10 H new ATOM 0 HD22 LEU A 91 20.830 13.341 -15.774 1.00 14.10 H new ATOM 0 HD23 LEU A 91 19.296 14.188 -16.084 1.00 14.10 H new ATOM 1465 N PHE A 92 18.217 12.736 -18.786 1.00 75.40 N ATOM 1466 CA PHE A 92 18.333 13.819 -19.755 1.00 73.02 C ATOM 1467 C PHE A 92 16.984 14.114 -20.405 1.00 41.30 C ATOM 1468 O PHE A 92 16.696 15.253 -20.771 1.00 73.21 O ATOM 1469 CB PHE A 92 19.362 13.462 -20.830 1.00 1.34 C ATOM 1470 CG PHE A 92 19.878 14.654 -21.585 1.00 34.11 C ATOM 1471 CD1 PHE A 92 19.076 15.306 -22.507 1.00 55.23 C ATOM 1472 CD2 PHE A 92 21.165 15.121 -21.373 1.00 14.33 C ATOM 1473 CE1 PHE A 92 19.547 16.403 -23.204 1.00 13.23 C ATOM 1474 CE2 PHE A 92 21.641 16.218 -22.066 1.00 0.02 C ATOM 1475 CZ PHE A 92 20.832 16.859 -22.983 1.00 74.03 C ATOM 0 H PHE A 92 18.712 11.883 -19.046 1.00 75.40 H new ATOM 0 HA PHE A 92 18.665 14.712 -19.226 1.00 73.02 H new ATOM 0 HB2 PHE A 92 20.201 12.947 -20.362 1.00 1.34 H new ATOM 0 HB3 PHE A 92 18.912 12.763 -21.535 1.00 1.34 H new ATOM 0 HD1 PHE A 92 18.071 14.953 -22.684 1.00 55.23 H new ATOM 0 HD2 PHE A 92 21.803 14.622 -20.658 1.00 14.33 H new ATOM 0 HE1 PHE A 92 18.911 16.903 -23.920 1.00 13.23 H new ATOM 0 HE2 PHE A 92 22.645 16.574 -21.890 1.00 0.02 H new ATOM 0 HZ PHE A 92 21.203 17.715 -23.526 1.00 74.03 H new ATOM 1485 N ASN A 93 16.162 13.079 -20.545 1.00 42.22 N ATOM 1486 CA ASN A 93 14.844 13.227 -21.152 1.00 21.51 C ATOM 1487 C ASN A 93 13.916 14.033 -20.248 1.00 63.40 C ATOM 1488 O ASN A 93 13.420 15.090 -20.636 1.00 22.05 O ATOM 1489 CB ASN A 93 14.233 11.852 -21.434 1.00 10.45 C ATOM 1490 CG ASN A 93 13.178 11.901 -22.522 1.00 63.12 C ATOM 1491 OD1 ASN A 93 13.374 11.370 -23.616 1.00 2.43 O ATOM 1492 ND2 ASN A 93 12.052 12.540 -22.227 1.00 22.33 N ATOM 0 H ASN A 93 16.385 12.129 -20.247 1.00 42.22 H new ATOM 0 HA ASN A 93 14.962 13.765 -22.093 1.00 21.51 H new ATOM 0 HB2 ASN A 93 15.022 11.160 -21.728 1.00 10.45 H new ATOM 0 HB3 ASN A 93 13.789 11.460 -20.519 1.00 10.45 H new ATOM 0 HD21 ASN A 93 11.306 12.606 -22.920 1.00 22.33 H new ATOM 0 HD22 ASN A 93 11.933 12.965 -21.308 1.00 22.33 H new ATOM 1499 N ALA A 94 13.687 13.525 -19.041 1.00 42.32 N ATOM 1500 CA ALA A 94 12.822 14.199 -18.081 1.00 74.21 C ATOM 1501 C ALA A 94 13.459 14.232 -16.696 1.00 72.32 C ATOM 1502 O ALA A 94 13.971 15.263 -16.263 1.00 33.03 O ATOM 1503 CB ALA A 94 11.464 13.514 -18.023 1.00 40.14 C ATOM 0 H ALA A 94 14.088 12.649 -18.705 1.00 42.32 H new ATOM 0 HA ALA A 94 12.684 15.228 -18.413 1.00 74.21 H new ATOM 0 HB1 ALA A 94 10.828 14.028 -17.302 1.00 40.14 H new ATOM 0 HB2 ALA A 94 10.997 13.548 -19.007 1.00 40.14 H new ATOM 0 HB3 ALA A 94 11.593 12.476 -17.718 1.00 40.14 H new ATOM 1509 N ASN A 95 13.423 13.096 -16.006 1.00 41.32 N ATOM 1510 CA ASN A 95 13.996 12.996 -14.669 1.00 4.10 C ATOM 1511 C ASN A 95 13.901 11.568 -14.142 1.00 24.50 C ATOM 1512 O ASN A 95 13.263 11.313 -13.121 1.00 35.32 O ATOM 1513 CB ASN A 95 13.282 13.953 -13.712 1.00 44.13 C ATOM 1514 CG ASN A 95 14.187 14.434 -12.594 1.00 15.02 C ATOM 1515 OD1 ASN A 95 15.388 14.621 -12.789 1.00 14.43 O ATOM 1516 ND2 ASN A 95 13.612 14.636 -11.414 1.00 34.11 N ATOM 0 H ASN A 95 13.003 12.233 -16.351 1.00 41.32 H new ATOM 0 HA ASN A 95 15.049 13.273 -14.731 1.00 4.10 H new ATOM 0 HB2 ASN A 95 12.911 14.812 -14.271 1.00 44.13 H new ATOM 0 HB3 ASN A 95 12.414 13.453 -13.283 1.00 44.13 H new ATOM 0 HD21 ASN A 95 14.170 14.959 -10.624 1.00 34.11 H new ATOM 0 HD22 ASN A 95 12.613 14.468 -11.298 1.00 34.11 H new ATOM 1523 N TYR A 96 14.541 10.640 -14.845 1.00 24.11 N ATOM 1524 CA TYR A 96 14.528 9.237 -14.449 1.00 71.55 C ATOM 1525 C TYR A 96 13.157 8.835 -13.913 1.00 24.12 C ATOM 1526 O TYR A 96 12.947 8.772 -12.701 1.00 72.34 O ATOM 1527 CB TYR A 96 15.600 8.973 -13.391 1.00 31.04 C ATOM 1528 CG TYR A 96 15.732 10.084 -12.374 1.00 24.15 C ATOM 1529 CD1 TYR A 96 16.555 11.178 -12.614 1.00 31.21 C ATOM 1530 CD2 TYR A 96 15.036 10.040 -11.172 1.00 61.51 C ATOM 1531 CE1 TYR A 96 16.680 12.195 -11.687 1.00 72.14 C ATOM 1532 CE2 TYR A 96 15.154 11.053 -10.241 1.00 33.35 C ATOM 1533 CZ TYR A 96 15.977 12.128 -10.503 1.00 12.04 C ATOM 1534 OH TYR A 96 16.098 13.139 -9.577 1.00 33.35 O ATOM 0 H TYR A 96 15.075 10.834 -15.692 1.00 24.11 H new ATOM 0 HA TYR A 96 14.744 8.635 -15.332 1.00 71.55 H new ATOM 0 HB2 TYR A 96 15.366 8.043 -12.873 1.00 31.04 H new ATOM 0 HB3 TYR A 96 16.560 8.829 -13.886 1.00 31.04 H new ATOM 0 HD1 TYR A 96 17.106 11.234 -13.541 1.00 31.21 H new ATOM 0 HD2 TYR A 96 14.392 9.199 -10.962 1.00 61.51 H new ATOM 0 HE1 TYR A 96 17.325 13.038 -11.889 1.00 72.14 H new ATOM 0 HE2 TYR A 96 14.605 11.004 -9.313 1.00 33.35 H new ATOM 0 HH TYR A 96 15.536 12.939 -8.799 1.00 33.35 H new ATOM 1544 N ASP A 97 12.229 8.564 -14.824 1.00 21.15 N ATOM 1545 CA ASP A 97 10.878 8.166 -14.444 1.00 4.33 C ATOM 1546 C ASP A 97 10.763 6.648 -14.356 1.00 63.33 C ATOM 1547 O ASP A 97 10.744 5.956 -15.375 1.00 3.33 O ATOM 1548 CB ASP A 97 9.862 8.710 -15.449 1.00 41.20 C ATOM 1549 CG ASP A 97 9.284 10.045 -15.023 1.00 11.30 C ATOM 1550 OD1 ASP A 97 9.932 11.081 -15.280 1.00 2.15 O ATOM 1551 OD2 ASP A 97 8.183 10.054 -14.432 1.00 44.42 O ATOM 0 H ASP A 97 12.387 8.613 -15.831 1.00 21.15 H new ATOM 0 HA ASP A 97 10.665 8.585 -13.461 1.00 4.33 H new ATOM 0 HB2 ASP A 97 10.341 8.819 -16.422 1.00 41.20 H new ATOM 0 HB3 ASP A 97 9.053 7.989 -15.570 1.00 41.20 H new ATOM 1556 N VAL A 98 10.688 6.134 -13.132 1.00 52.54 N ATOM 1557 CA VAL A 98 10.575 4.698 -12.911 1.00 74.24 C ATOM 1558 C VAL A 98 9.429 4.377 -11.959 1.00 34.23 C ATOM 1559 O VAL A 98 9.173 5.117 -11.009 1.00 54.05 O ATOM 1560 CB VAL A 98 11.881 4.113 -12.341 1.00 74.05 C ATOM 1561 CG1 VAL A 98 12.242 4.792 -11.029 1.00 71.02 C ATOM 1562 CG2 VAL A 98 11.754 2.609 -12.156 1.00 33.54 C ATOM 0 H VAL A 98 10.704 6.692 -12.278 1.00 52.54 H new ATOM 0 HA VAL A 98 10.375 4.243 -13.881 1.00 74.24 H new ATOM 0 HB VAL A 98 12.685 4.302 -13.053 1.00 74.05 H new ATOM 0 HG11 VAL A 98 13.167 4.366 -10.641 1.00 71.02 H new ATOM 0 HG12 VAL A 98 12.377 5.860 -11.197 1.00 71.02 H new ATOM 0 HG13 VAL A 98 11.441 4.637 -10.307 1.00 71.02 H new ATOM 0 HG21 VAL A 98 12.686 2.212 -11.753 1.00 33.54 H new ATOM 0 HG22 VAL A 98 10.939 2.395 -11.465 1.00 33.54 H new ATOM 0 HG23 VAL A 98 11.546 2.140 -13.118 1.00 33.54 H new ATOM 1572 N GLN A 99 8.743 3.268 -12.219 1.00 12.41 N ATOM 1573 CA GLN A 99 7.623 2.850 -11.384 1.00 22.32 C ATOM 1574 C GLN A 99 7.486 1.331 -11.379 1.00 21.22 C ATOM 1575 O GLN A 99 7.597 0.684 -12.421 1.00 11.43 O ATOM 1576 CB GLN A 99 6.324 3.489 -11.877 1.00 43.33 C ATOM 1577 CG GLN A 99 5.084 2.977 -11.163 1.00 61.31 C ATOM 1578 CD GLN A 99 4.281 2.009 -12.010 1.00 21.02 C ATOM 1579 OE1 GLN A 99 4.458 0.794 -11.921 1.00 21.32 O ATOM 1580 NE2 GLN A 99 3.391 2.544 -12.838 1.00 24.12 N ATOM 0 H GLN A 99 8.943 2.644 -13.000 1.00 12.41 H new ATOM 0 HA GLN A 99 7.819 3.183 -10.365 1.00 22.32 H new ATOM 0 HB2 GLN A 99 6.388 4.569 -11.746 1.00 43.33 H new ATOM 0 HB3 GLN A 99 6.220 3.303 -12.946 1.00 43.33 H new ATOM 0 HG2 GLN A 99 5.380 2.484 -10.237 1.00 61.31 H new ATOM 0 HG3 GLN A 99 4.453 3.822 -10.887 1.00 61.31 H new ATOM 0 HE21 GLN A 99 3.277 3.557 -12.879 1.00 24.12 H new ATOM 0 HE22 GLN A 99 2.821 1.942 -13.433 1.00 24.12 H new ATOM 1589 N ARG A 100 7.245 0.767 -10.200 1.00 0.24 N ATOM 1590 CA ARG A 100 7.094 -0.676 -10.059 1.00 65.00 C ATOM 1591 C ARG A 100 6.039 -1.013 -9.010 1.00 2.04 C ATOM 1592 O ARG A 100 5.900 -0.312 -8.007 1.00 20.42 O ATOM 1593 CB ARG A 100 8.431 -1.315 -9.677 1.00 50.12 C ATOM 1594 CG ARG A 100 8.747 -1.226 -8.193 1.00 54.30 C ATOM 1595 CD ARG A 100 8.869 0.219 -7.735 1.00 42.23 C ATOM 1596 NE ARG A 100 9.925 0.391 -6.741 1.00 64.15 N ATOM 1597 CZ ARG A 100 9.862 -0.101 -5.509 1.00 62.54 C ATOM 1598 NH1 ARG A 100 8.799 -0.793 -5.122 1.00 2.32 N ATOM 1599 NH2 ARG A 100 10.864 0.097 -4.662 1.00 60.21 N ATOM 0 H ARG A 100 7.150 1.288 -9.328 1.00 0.24 H new ATOM 0 HA ARG A 100 6.768 -1.077 -11.019 1.00 65.00 H new ATOM 0 HB2 ARG A 100 8.421 -2.363 -9.975 1.00 50.12 H new ATOM 0 HB3 ARG A 100 9.229 -0.831 -10.239 1.00 50.12 H new ATOM 0 HG2 ARG A 100 7.963 -1.725 -7.623 1.00 54.30 H new ATOM 0 HG3 ARG A 100 9.678 -1.754 -7.986 1.00 54.30 H new ATOM 0 HD2 ARG A 100 9.074 0.856 -8.596 1.00 42.23 H new ATOM 0 HD3 ARG A 100 7.918 0.547 -7.315 1.00 42.23 H new ATOM 0 HE ARG A 100 10.757 0.918 -7.008 1.00 64.15 H new ATOM 0 HH11 ARG A 100 8.028 -0.948 -5.771 1.00 2.32 H new ATOM 0 HH12 ARG A 100 8.753 -1.170 -4.175 1.00 2.32 H new ATOM 0 HH21 ARG A 100 11.684 0.628 -4.957 1.00 60.21 H new ATOM 0 HH22 ARG A 100 10.814 -0.281 -3.716 1.00 60.21 H new ATOM 1613 N PHE A 101 5.298 -2.090 -9.248 1.00 53.31 N ATOM 1614 CA PHE A 101 4.254 -2.519 -8.325 1.00 12.13 C ATOM 1615 C PHE A 101 4.244 -4.038 -8.183 1.00 23.12 C ATOM 1616 O PHE A 101 4.423 -4.764 -9.161 1.00 30.51 O ATOM 1617 CB PHE A 101 2.886 -2.032 -8.806 1.00 54.32 C ATOM 1618 CG PHE A 101 1.853 -1.972 -7.717 1.00 2.11 C ATOM 1619 CD1 PHE A 101 2.124 -1.323 -6.523 1.00 54.41 C ATOM 1620 CD2 PHE A 101 0.612 -2.564 -7.887 1.00 23.20 C ATOM 1621 CE1 PHE A 101 1.176 -1.267 -5.519 1.00 14.21 C ATOM 1622 CE2 PHE A 101 -0.340 -2.511 -6.886 1.00 61.34 C ATOM 1623 CZ PHE A 101 -0.058 -1.861 -5.701 1.00 50.32 C ATOM 0 H PHE A 101 5.401 -2.682 -10.072 1.00 53.31 H new ATOM 0 HA PHE A 101 4.465 -2.082 -7.349 1.00 12.13 H new ATOM 0 HB2 PHE A 101 2.996 -1.041 -9.246 1.00 54.32 H new ATOM 0 HB3 PHE A 101 2.531 -2.694 -9.596 1.00 54.32 H new ATOM 0 HD1 PHE A 101 3.087 -0.856 -6.375 1.00 54.41 H new ATOM 0 HD2 PHE A 101 0.386 -3.073 -8.812 1.00 23.20 H new ATOM 0 HE1 PHE A 101 1.400 -0.759 -4.592 1.00 14.21 H new ATOM 0 HE2 PHE A 101 -1.303 -2.978 -7.031 1.00 61.34 H new ATOM 0 HZ PHE A 101 -0.801 -1.817 -4.918 1.00 50.32 H new ATOM 1633 N ILE A 102 4.035 -4.511 -6.959 1.00 2.44 N ATOM 1634 CA ILE A 102 4.002 -5.943 -6.688 1.00 52.54 C ATOM 1635 C ILE A 102 2.760 -6.322 -5.890 1.00 34.43 C ATOM 1636 O ILE A 102 2.547 -5.832 -4.781 1.00 24.14 O ATOM 1637 CB ILE A 102 5.254 -6.399 -5.917 1.00 20.13 C ATOM 1638 CG1 ILE A 102 6.521 -5.927 -6.633 1.00 23.52 C ATOM 1639 CG2 ILE A 102 5.258 -7.913 -5.762 1.00 45.34 C ATOM 1640 CD1 ILE A 102 7.791 -6.207 -5.860 1.00 64.24 C ATOM 0 H ILE A 102 3.886 -3.923 -6.139 1.00 2.44 H new ATOM 0 HA ILE A 102 3.978 -6.447 -7.654 1.00 52.54 H new ATOM 0 HB ILE A 102 5.234 -5.952 -4.923 1.00 20.13 H new ATOM 0 HG12 ILE A 102 6.582 -6.415 -7.606 1.00 23.52 H new ATOM 0 HG13 ILE A 102 6.446 -4.855 -6.818 1.00 23.52 H new ATOM 0 HG21 ILE A 102 6.149 -8.220 -5.215 1.00 45.34 H new ATOM 0 HG22 ILE A 102 4.370 -8.225 -5.213 1.00 45.34 H new ATOM 0 HG23 ILE A 102 5.258 -8.380 -6.747 1.00 45.34 H new ATOM 0 HD11 ILE A 102 8.649 -5.846 -6.427 1.00 64.24 H new ATOM 0 HD12 ILE A 102 7.751 -5.697 -4.898 1.00 64.24 H new ATOM 0 HD13 ILE A 102 7.889 -7.280 -5.698 1.00 64.24 H new ATOM 1652 N VAL A 103 1.942 -7.201 -6.460 1.00 75.15 N ATOM 1653 CA VAL A 103 0.721 -7.650 -5.801 1.00 2.01 C ATOM 1654 C VAL A 103 0.438 -9.116 -6.108 1.00 30.20 C ATOM 1655 O VAL A 103 0.477 -9.538 -7.263 1.00 22.21 O ATOM 1656 CB VAL A 103 -0.492 -6.803 -6.229 1.00 72.51 C ATOM 1657 CG1 VAL A 103 -0.441 -5.430 -5.578 1.00 54.43 C ATOM 1658 CG2 VAL A 103 -0.549 -6.683 -7.744 1.00 51.04 C ATOM 0 H VAL A 103 2.103 -7.617 -7.377 1.00 75.15 H new ATOM 0 HA VAL A 103 0.878 -7.530 -4.729 1.00 2.01 H new ATOM 0 HB VAL A 103 -1.400 -7.304 -5.893 1.00 72.51 H new ATOM 0 HG11 VAL A 103 -1.306 -4.846 -5.892 1.00 54.43 H new ATOM 0 HG12 VAL A 103 -0.452 -5.541 -4.494 1.00 54.43 H new ATOM 0 HG13 VAL A 103 0.472 -4.917 -5.881 1.00 54.43 H new ATOM 0 HG21 VAL A 103 -1.412 -6.081 -8.029 1.00 51.04 H new ATOM 0 HG22 VAL A 103 0.362 -6.205 -8.106 1.00 51.04 H new ATOM 0 HG23 VAL A 103 -0.637 -7.676 -8.185 1.00 51.04 H new ATOM 1668 N GLY A 104 0.152 -9.889 -5.065 1.00 33.23 N ATOM 1669 CA GLY A 104 -0.135 -11.301 -5.244 1.00 4.44 C ATOM 1670 C GLY A 104 1.110 -12.111 -5.549 1.00 12.53 C ATOM 1671 O GLY A 104 2.117 -12.002 -4.849 1.00 15.33 O ATOM 0 H GLY A 104 0.114 -9.563 -4.099 1.00 33.23 H new ATOM 0 HA2 GLY A 104 -0.606 -11.690 -4.341 1.00 4.44 H new ATOM 0 HA3 GLY A 104 -0.852 -11.423 -6.056 1.00 4.44 H new ATOM 1675 N SER A 105 1.041 -12.927 -6.596 1.00 1.54 N ATOM 1676 CA SER A 105 2.169 -13.763 -6.989 1.00 4.45 C ATOM 1677 C SER A 105 2.808 -13.245 -8.274 1.00 15.10 C ATOM 1678 O SER A 105 3.738 -13.851 -8.806 1.00 52.10 O ATOM 1679 CB SER A 105 1.716 -15.211 -7.178 1.00 60.44 C ATOM 1680 OG SER A 105 1.976 -15.983 -6.019 1.00 24.31 O ATOM 0 H SER A 105 0.216 -13.027 -7.187 1.00 1.54 H new ATOM 0 HA SER A 105 2.913 -13.724 -6.193 1.00 4.45 H new ATOM 0 HB2 SER A 105 0.650 -15.235 -7.403 1.00 60.44 H new ATOM 0 HB3 SER A 105 2.232 -15.648 -8.033 1.00 60.44 H new ATOM 0 HG SER A 105 1.675 -16.904 -6.165 1.00 24.31 H new ATOM 1686 N ASP A 106 2.300 -12.121 -8.767 1.00 45.53 N ATOM 1687 CA ASP A 106 2.820 -11.519 -9.990 1.00 24.11 C ATOM 1688 C ASP A 106 3.239 -10.072 -9.748 1.00 73.13 C ATOM 1689 O ASP A 106 2.599 -9.350 -8.984 1.00 15.11 O ATOM 1690 CB ASP A 106 1.771 -11.581 -11.100 1.00 54.05 C ATOM 1691 CG ASP A 106 0.414 -11.084 -10.643 1.00 14.32 C ATOM 1692 OD1 ASP A 106 0.268 -9.861 -10.438 1.00 44.44 O ATOM 1693 OD2 ASP A 106 -0.503 -11.918 -10.488 1.00 52.11 O ATOM 0 H ASP A 106 1.529 -11.608 -8.339 1.00 45.53 H new ATOM 0 HA ASP A 106 3.698 -12.085 -10.300 1.00 24.11 H new ATOM 0 HB2 ASP A 106 2.107 -10.983 -11.947 1.00 54.05 H new ATOM 0 HB3 ASP A 106 1.679 -12.609 -11.452 1.00 54.05 H new ATOM 1698 N ARG A 107 4.317 -9.656 -10.404 1.00 40.21 N ATOM 1699 CA ARG A 107 4.822 -8.296 -10.259 1.00 1.12 C ATOM 1700 C ARG A 107 4.936 -7.610 -11.617 1.00 73.12 C ATOM 1701 O ARG A 107 5.278 -8.242 -12.616 1.00 72.20 O ATOM 1702 CB ARG A 107 6.186 -8.307 -9.566 1.00 13.05 C ATOM 1703 CG ARG A 107 6.969 -9.591 -9.783 1.00 21.22 C ATOM 1704 CD ARG A 107 6.623 -10.639 -8.736 1.00 42.40 C ATOM 1705 NE ARG A 107 7.796 -11.061 -7.975 1.00 44.44 N ATOM 1706 CZ ARG A 107 7.738 -11.865 -6.920 1.00 73.43 C ATOM 1707 NH1 ARG A 107 6.569 -12.333 -6.503 1.00 63.24 N ATOM 1708 NH2 ARG A 107 8.850 -12.204 -6.280 1.00 74.43 N ATOM 0 H ARG A 107 4.858 -10.241 -11.041 1.00 40.21 H new ATOM 0 HA ARG A 107 4.115 -7.736 -9.647 1.00 1.12 H new ATOM 0 HB2 ARG A 107 6.776 -7.466 -9.930 1.00 13.05 H new ATOM 0 HB3 ARG A 107 6.042 -8.156 -8.496 1.00 13.05 H new ATOM 0 HG2 ARG A 107 6.756 -9.984 -10.777 1.00 21.22 H new ATOM 0 HG3 ARG A 107 8.037 -9.378 -9.746 1.00 21.22 H new ATOM 0 HD2 ARG A 107 5.874 -10.236 -8.054 1.00 42.40 H new ATOM 0 HD3 ARG A 107 6.177 -11.505 -9.224 1.00 42.40 H new ATOM 0 HE ARG A 107 8.710 -10.719 -8.270 1.00 44.44 H new ATOM 0 HH11 ARG A 107 5.712 -12.075 -6.993 1.00 63.24 H new ATOM 0 HH12 ARG A 107 6.527 -12.951 -5.692 1.00 63.24 H new ATOM 0 HH21 ARG A 107 9.751 -11.847 -6.598 1.00 74.43 H new ATOM 0 HH22 ARG A 107 8.804 -12.822 -5.470 1.00 74.43 H new ATOM 1722 N ALA A 108 4.646 -6.313 -11.646 1.00 33.44 N ATOM 1723 CA ALA A 108 4.717 -5.542 -12.880 1.00 53.32 C ATOM 1724 C ALA A 108 5.723 -4.403 -12.758 1.00 43.25 C ATOM 1725 O ALA A 108 5.885 -3.817 -11.688 1.00 0.24 O ATOM 1726 CB ALA A 108 3.343 -4.998 -13.242 1.00 54.23 C ATOM 0 H ALA A 108 4.360 -5.775 -10.828 1.00 33.44 H new ATOM 0 HA ALA A 108 5.054 -6.206 -13.676 1.00 53.32 H new ATOM 0 HB1 ALA A 108 3.411 -4.424 -14.166 1.00 54.23 H new ATOM 0 HB2 ALA A 108 2.648 -5.827 -13.380 1.00 54.23 H new ATOM 0 HB3 ALA A 108 2.984 -4.353 -12.440 1.00 54.23 H new ATOM 1732 N ILE A 109 6.398 -4.095 -13.861 1.00 74.03 N ATOM 1733 CA ILE A 109 7.388 -3.026 -13.877 1.00 41.21 C ATOM 1734 C ILE A 109 7.145 -2.068 -15.039 1.00 22.51 C ATOM 1735 O ILE A 109 6.952 -2.494 -16.178 1.00 12.00 O ATOM 1736 CB ILE A 109 8.819 -3.586 -13.979 1.00 3.45 C ATOM 1737 CG1 ILE A 109 9.842 -2.454 -13.858 1.00 25.40 C ATOM 1738 CG2 ILE A 109 9.003 -4.336 -15.289 1.00 52.23 C ATOM 1739 CD1 ILE A 109 9.983 -1.914 -12.452 1.00 61.12 C ATOM 0 H ILE A 109 6.277 -4.571 -14.755 1.00 74.03 H new ATOM 0 HA ILE A 109 7.284 -2.486 -12.936 1.00 41.21 H new ATOM 0 HB ILE A 109 8.979 -4.285 -13.158 1.00 3.45 H new ATOM 0 HG12 ILE A 109 10.813 -2.814 -14.199 1.00 25.40 H new ATOM 0 HG13 ILE A 109 9.552 -1.641 -14.523 1.00 25.40 H new ATOM 0 HG21 ILE A 109 10.019 -4.725 -15.346 1.00 52.23 H new ATOM 0 HG22 ILE A 109 8.294 -5.163 -15.338 1.00 52.23 H new ATOM 0 HG23 ILE A 109 8.827 -3.658 -16.124 1.00 52.23 H new ATOM 0 HD11 ILE A 109 10.724 -1.115 -12.442 1.00 61.12 H new ATOM 0 HD12 ILE A 109 9.023 -1.523 -12.115 1.00 61.12 H new ATOM 0 HD13 ILE A 109 10.303 -2.715 -11.785 1.00 61.12 H new ATOM 1751 N PHE A 110 7.158 -0.773 -14.744 1.00 1.15 N ATOM 1752 CA PHE A 110 6.940 0.246 -15.764 1.00 1.03 C ATOM 1753 C PHE A 110 8.018 1.324 -15.695 1.00 14.25 C ATOM 1754 O PHE A 110 8.299 1.867 -14.627 1.00 3.42 O ATOM 1755 CB PHE A 110 5.557 0.879 -15.595 1.00 5.31 C ATOM 1756 CG PHE A 110 5.344 2.092 -16.455 1.00 65.12 C ATOM 1757 CD1 PHE A 110 4.943 1.959 -17.775 1.00 4.51 C ATOM 1758 CD2 PHE A 110 5.545 3.364 -15.944 1.00 53.13 C ATOM 1759 CE1 PHE A 110 4.748 3.074 -18.569 1.00 35.31 C ATOM 1760 CE2 PHE A 110 5.350 4.482 -16.733 1.00 51.14 C ATOM 1761 CZ PHE A 110 4.950 4.337 -18.047 1.00 72.52 C ATOM 0 H PHE A 110 7.317 -0.404 -13.807 1.00 1.15 H new ATOM 0 HA PHE A 110 6.995 -0.235 -16.741 1.00 1.03 H new ATOM 0 HB2 PHE A 110 4.795 0.137 -15.832 1.00 5.31 H new ATOM 0 HB3 PHE A 110 5.418 1.155 -14.550 1.00 5.31 H new ATOM 0 HD1 PHE A 110 4.781 0.974 -18.188 1.00 4.51 H new ATOM 0 HD2 PHE A 110 5.858 3.483 -14.917 1.00 53.13 H new ATOM 0 HE1 PHE A 110 4.438 2.958 -19.597 1.00 35.31 H new ATOM 0 HE2 PHE A 110 5.510 5.468 -16.322 1.00 51.14 H new ATOM 0 HZ PHE A 110 4.795 5.209 -18.665 1.00 72.52 H new ATOM 1771 N MET A 111 8.617 1.628 -16.841 1.00 72.23 N ATOM 1772 CA MET A 111 9.663 2.641 -16.911 1.00 41.35 C ATOM 1773 C MET A 111 9.671 3.320 -18.277 1.00 45.43 C ATOM 1774 O MET A 111 9.603 2.656 -19.313 1.00 3.35 O ATOM 1775 CB MET A 111 11.030 2.014 -16.633 1.00 22.25 C ATOM 1776 CG MET A 111 11.556 1.167 -17.780 1.00 52.03 C ATOM 1777 SD MET A 111 13.089 0.313 -17.368 1.00 20.42 S ATOM 1778 CE MET A 111 13.785 0.060 -18.999 1.00 2.14 C ATOM 0 H MET A 111 8.396 1.187 -17.734 1.00 72.23 H new ATOM 0 HA MET A 111 9.456 3.394 -16.151 1.00 41.35 H new ATOM 0 HB2 MET A 111 11.747 2.807 -16.419 1.00 22.25 H new ATOM 0 HB3 MET A 111 10.962 1.396 -15.738 1.00 22.25 H new ATOM 0 HG2 MET A 111 10.800 0.433 -18.061 1.00 52.03 H new ATOM 0 HG3 MET A 111 11.722 1.803 -18.650 1.00 52.03 H new ATOM 0 HE1 MET A 111 14.329 -0.884 -19.020 1.00 2.14 H new ATOM 0 HE2 MET A 111 12.983 0.033 -19.737 1.00 2.14 H new ATOM 0 HE3 MET A 111 14.467 0.877 -19.234 1.00 2.14 H new ATOM 1788 N LEU A 112 9.755 4.646 -18.273 1.00 50.23 N ATOM 1789 CA LEU A 112 9.772 5.415 -19.513 1.00 10.53 C ATOM 1790 C LEU A 112 10.569 6.705 -19.342 1.00 54.02 C ATOM 1791 O LEU A 112 10.604 7.286 -18.257 1.00 75.14 O ATOM 1792 CB LEU A 112 8.344 5.740 -19.955 1.00 32.55 C ATOM 1793 CG LEU A 112 8.001 5.413 -21.408 1.00 74.04 C ATOM 1794 CD1 LEU A 112 8.855 6.240 -22.357 1.00 72.40 C ATOM 1795 CD2 LEU A 112 8.185 3.927 -21.679 1.00 62.11 C ATOM 0 H LEU A 112 9.812 5.211 -17.426 1.00 50.23 H new ATOM 0 HA LEU A 112 10.254 4.810 -20.280 1.00 10.53 H new ATOM 0 HB2 LEU A 112 7.653 5.199 -19.309 1.00 32.55 H new ATOM 0 HB3 LEU A 112 8.167 6.803 -19.791 1.00 32.55 H new ATOM 0 HG LEU A 112 6.955 5.666 -21.580 1.00 74.04 H new ATOM 0 HD11 LEU A 112 8.597 5.994 -23.387 1.00 72.40 H new ATOM 0 HD12 LEU A 112 8.672 7.300 -22.181 1.00 72.40 H new ATOM 0 HD13 LEU A 112 9.908 6.020 -22.184 1.00 72.40 H new ATOM 0 HD21 LEU A 112 7.936 3.713 -22.718 1.00 62.11 H new ATOM 0 HD22 LEU A 112 9.222 3.648 -21.489 1.00 62.11 H new ATOM 0 HD23 LEU A 112 7.529 3.354 -21.024 1.00 62.11 H new ATOM 1807 N ARG A 113 11.205 7.148 -20.421 1.00 44.03 N ATOM 1808 CA ARG A 113 12.001 8.370 -20.391 1.00 72.54 C ATOM 1809 C ARG A 113 11.145 9.565 -19.984 1.00 3.54 C ATOM 1810 O ARG A 113 11.648 10.538 -19.421 1.00 3.03 O ATOM 1811 CB ARG A 113 12.634 8.625 -21.760 1.00 72.15 C ATOM 1812 CG ARG A 113 11.632 9.032 -22.828 1.00 52.04 C ATOM 1813 CD ARG A 113 12.135 8.692 -24.223 1.00 13.03 C ATOM 1814 NE ARG A 113 11.240 9.191 -25.264 1.00 21.32 N ATOM 1815 CZ ARG A 113 10.132 8.564 -25.642 1.00 54.13 C ATOM 1816 NH1 ARG A 113 9.783 7.421 -25.068 1.00 0.22 N ATOM 1817 NH2 ARG A 113 9.369 9.081 -26.597 1.00 50.12 N ATOM 0 H ARG A 113 11.185 6.680 -21.327 1.00 44.03 H new ATOM 0 HA ARG A 113 12.791 8.242 -19.651 1.00 72.54 H new ATOM 0 HB2 ARG A 113 13.387 9.407 -21.663 1.00 72.15 H new ATOM 0 HB3 ARG A 113 13.152 7.723 -22.085 1.00 72.15 H new ATOM 0 HG2 ARG A 113 10.683 8.527 -22.649 1.00 52.04 H new ATOM 0 HG3 ARG A 113 11.441 10.103 -22.760 1.00 52.04 H new ATOM 0 HD2 ARG A 113 13.128 9.118 -24.364 1.00 13.03 H new ATOM 0 HD3 ARG A 113 12.235 7.611 -24.319 1.00 13.03 H new ATOM 0 HE ARG A 113 11.479 10.069 -25.726 1.00 21.32 H new ATOM 0 HH11 ARG A 113 10.366 7.020 -24.333 1.00 0.22 H new ATOM 0 HH12 ARG A 113 8.931 6.942 -25.361 1.00 0.22 H new ATOM 0 HH21 ARG A 113 9.634 9.960 -27.041 1.00 50.12 H new ATOM 0 HH22 ARG A 113 8.518 8.599 -26.887 1.00 50.12 H new ATOM 1831 N ASP A 114 9.851 9.486 -20.272 1.00 0.00 N ATOM 1832 CA ASP A 114 8.925 10.561 -19.935 1.00 42.20 C ATOM 1833 C ASP A 114 8.262 10.304 -18.585 1.00 41.34 C ATOM 1834 O ASP A 114 8.599 10.938 -17.586 1.00 61.12 O ATOM 1835 CB ASP A 114 7.859 10.704 -21.022 1.00 51.31 C ATOM 1836 CG ASP A 114 8.451 11.067 -22.370 1.00 1.23 C ATOM 1837 OD1 ASP A 114 8.735 12.263 -22.591 1.00 13.41 O ATOM 1838 OD2 ASP A 114 8.632 10.155 -23.203 1.00 32.01 O ATOM 0 H ASP A 114 9.419 8.688 -20.738 1.00 0.00 H new ATOM 0 HA ASP A 114 9.493 11.489 -19.870 1.00 42.20 H new ATOM 0 HB2 ASP A 114 7.307 9.768 -21.111 1.00 51.31 H new ATOM 0 HB3 ASP A 114 7.142 11.470 -20.725 1.00 51.31 H new ATOM 1843 N GLY A 115 7.316 9.370 -18.565 1.00 13.53 N ATOM 1844 CA GLY A 115 6.619 9.047 -17.333 1.00 44.32 C ATOM 1845 C GLY A 115 5.202 9.584 -17.311 1.00 31.14 C ATOM 1846 O GLY A 115 4.240 8.819 -17.382 1.00 42.15 O ATOM 0 H GLY A 115 7.020 8.832 -19.379 1.00 13.53 H new ATOM 0 HA2 GLY A 115 6.596 7.965 -17.205 1.00 44.32 H new ATOM 0 HA3 GLY A 115 7.173 9.456 -16.488 1.00 44.32 H new ATOM 1850 N SER A 116 5.072 10.903 -17.209 1.00 33.22 N ATOM 1851 CA SER A 116 3.761 11.541 -17.171 1.00 70.12 C ATOM 1852 C SER A 116 2.988 11.270 -18.458 1.00 74.40 C ATOM 1853 O SER A 116 1.851 10.798 -18.425 1.00 14.34 O ATOM 1854 CB SER A 116 3.910 13.049 -16.961 1.00 23.22 C ATOM 1855 OG SER A 116 3.348 13.449 -15.723 1.00 42.21 O ATOM 0 H SER A 116 5.858 11.550 -17.151 1.00 33.22 H new ATOM 0 HA SER A 116 3.203 11.118 -16.336 1.00 70.12 H new ATOM 0 HB2 SER A 116 4.965 13.321 -16.990 1.00 23.22 H new ATOM 0 HB3 SER A 116 3.421 13.583 -17.776 1.00 23.22 H new ATOM 0 HG SER A 116 3.457 14.416 -15.611 1.00 42.21 H new ATOM 1861 N TYR A 117 3.613 11.571 -19.591 1.00 34.42 N ATOM 1862 CA TYR A 117 2.984 11.362 -20.890 1.00 15.14 C ATOM 1863 C TYR A 117 2.761 9.876 -21.155 1.00 11.31 C ATOM 1864 O TYR A 117 1.756 9.484 -21.747 1.00 20.11 O ATOM 1865 CB TYR A 117 3.845 11.966 -22.000 1.00 11.42 C ATOM 1866 CG TYR A 117 3.073 12.284 -23.260 1.00 55.32 C ATOM 1867 CD1 TYR A 117 2.464 13.522 -23.432 1.00 32.43 C ATOM 1868 CD2 TYR A 117 2.951 11.348 -24.279 1.00 35.41 C ATOM 1869 CE1 TYR A 117 1.757 13.817 -24.581 1.00 75.52 C ATOM 1870 CE2 TYR A 117 2.247 11.634 -25.432 1.00 55.23 C ATOM 1871 CZ TYR A 117 1.651 12.870 -25.579 1.00 22.22 C ATOM 1872 OH TYR A 117 0.948 13.159 -26.726 1.00 32.33 O ATOM 0 H TYR A 117 4.555 11.960 -19.636 1.00 34.42 H new ATOM 0 HA TYR A 117 2.014 11.860 -20.880 1.00 15.14 H new ATOM 0 HB2 TYR A 117 4.312 12.879 -21.630 1.00 11.42 H new ATOM 0 HB3 TYR A 117 4.650 11.272 -22.242 1.00 11.42 H new ATOM 0 HD1 TYR A 117 2.545 14.266 -22.653 1.00 32.43 H new ATOM 0 HD2 TYR A 117 3.415 10.379 -24.168 1.00 35.41 H new ATOM 0 HE1 TYR A 117 1.290 14.784 -24.698 1.00 75.52 H new ATOM 0 HE2 TYR A 117 2.163 10.894 -26.215 1.00 55.23 H new ATOM 0 HH TYR A 117 0.971 12.386 -27.327 1.00 32.33 H new ATOM 1882 N ALA A 118 3.707 9.055 -20.711 1.00 75.42 N ATOM 1883 CA ALA A 118 3.614 7.612 -20.897 1.00 71.15 C ATOM 1884 C ALA A 118 2.511 7.016 -20.029 1.00 23.02 C ATOM 1885 O ALA A 118 1.903 6.008 -20.387 1.00 72.32 O ATOM 1886 CB ALA A 118 4.949 6.953 -20.585 1.00 60.40 C ATOM 0 H ALA A 118 4.546 9.364 -20.220 1.00 75.42 H new ATOM 0 HA ALA A 118 3.362 7.420 -21.940 1.00 71.15 H new ATOM 0 HB1 ALA A 118 4.865 5.876 -20.728 1.00 60.40 H new ATOM 0 HB2 ALA A 118 5.715 7.349 -21.252 1.00 60.40 H new ATOM 0 HB3 ALA A 118 5.225 7.161 -19.551 1.00 60.40 H new ATOM 1892 N TRP A 119 2.260 7.645 -18.886 1.00 62.33 N ATOM 1893 CA TRP A 119 1.231 7.175 -17.966 1.00 54.10 C ATOM 1894 C TRP A 119 -0.097 6.977 -18.689 1.00 63.35 C ATOM 1895 O TRP A 119 -0.898 6.123 -18.311 1.00 65.52 O ATOM 1896 CB TRP A 119 1.055 8.167 -16.815 1.00 41.43 C ATOM 1897 CG TRP A 119 0.027 7.738 -15.813 1.00 10.53 C ATOM 1898 CD1 TRP A 119 -1.330 7.800 -15.953 1.00 11.01 C ATOM 1899 CD2 TRP A 119 0.274 7.184 -14.516 1.00 13.21 C ATOM 1900 NE1 TRP A 119 -1.942 7.317 -14.821 1.00 40.42 N ATOM 1901 CE2 TRP A 119 -0.980 6.932 -13.925 1.00 51.41 C ATOM 1902 CE3 TRP A 119 1.431 6.874 -13.797 1.00 42.11 C ATOM 1903 CZ2 TRP A 119 -1.106 6.387 -12.650 1.00 62.03 C ATOM 1904 CZ3 TRP A 119 1.305 6.333 -12.532 1.00 13.11 C ATOM 1905 CH2 TRP A 119 0.044 6.093 -11.969 1.00 41.21 C ATOM 0 H TRP A 119 2.755 8.481 -18.575 1.00 62.33 H new ATOM 0 HA TRP A 119 1.551 6.214 -17.563 1.00 54.10 H new ATOM 0 HB2 TRP A 119 2.012 8.299 -16.309 1.00 41.43 H new ATOM 0 HB3 TRP A 119 0.772 9.138 -17.222 1.00 41.43 H new ATOM 0 HD1 TRP A 119 -1.846 8.174 -16.825 1.00 11.01 H new ATOM 0 HE1 TRP A 119 -2.949 7.255 -14.672 1.00 40.42 H new ATOM 0 HE3 TRP A 119 2.407 7.054 -14.223 1.00 42.11 H new ATOM 0 HZ2 TRP A 119 -2.077 6.203 -12.214 1.00 62.03 H new ATOM 0 HZ3 TRP A 119 2.193 6.091 -11.967 1.00 13.11 H new ATOM 0 HH2 TRP A 119 -0.021 5.668 -10.978 1.00 41.21 H new ATOM 1916 N GLU A 120 -0.323 7.771 -19.731 1.00 63.04 N ATOM 1917 CA GLU A 120 -1.554 7.681 -20.506 1.00 55.35 C ATOM 1918 C GLU A 120 -1.670 6.321 -21.189 1.00 41.42 C ATOM 1919 O GLU A 120 -2.643 5.595 -20.987 1.00 73.44 O ATOM 1920 CB GLU A 120 -1.607 8.796 -21.553 1.00 62.15 C ATOM 1921 CG GLU A 120 -2.992 9.020 -22.135 1.00 74.02 C ATOM 1922 CD GLU A 120 -2.958 9.779 -23.448 1.00 34.33 C ATOM 1923 OE1 GLU A 120 -1.988 10.532 -23.673 1.00 72.55 O ATOM 1924 OE2 GLU A 120 -3.903 9.619 -24.249 1.00 62.12 O ATOM 0 H GLU A 120 0.330 8.483 -20.057 1.00 63.04 H new ATOM 0 HA GLU A 120 -2.393 7.796 -19.820 1.00 55.35 H new ATOM 0 HB2 GLU A 120 -1.258 9.724 -21.101 1.00 62.15 H new ATOM 0 HB3 GLU A 120 -0.917 8.556 -22.362 1.00 62.15 H new ATOM 0 HG2 GLU A 120 -3.477 8.056 -22.289 1.00 74.02 H new ATOM 0 HG3 GLU A 120 -3.599 9.571 -21.417 1.00 74.02 H new ATOM 1931 N ILE A 121 -0.671 5.985 -21.998 1.00 5.24 N ATOM 1932 CA ILE A 121 -0.659 4.713 -22.710 1.00 13.44 C ATOM 1933 C ILE A 121 -0.443 3.548 -21.750 1.00 40.10 C ATOM 1934 O ILE A 121 -0.919 2.438 -21.987 1.00 21.53 O ATOM 1935 CB ILE A 121 0.437 4.683 -23.791 1.00 54.32 C ATOM 1936 CG1 ILE A 121 0.233 5.827 -24.786 1.00 51.45 C ATOM 1937 CG2 ILE A 121 0.435 3.342 -24.510 1.00 11.32 C ATOM 1938 CD1 ILE A 121 -1.076 5.747 -25.540 1.00 13.11 C ATOM 0 H ILE A 121 0.141 6.576 -22.177 1.00 5.24 H new ATOM 0 HA ILE A 121 -1.633 4.610 -23.189 1.00 13.44 H new ATOM 0 HB ILE A 121 1.406 4.814 -23.309 1.00 54.32 H new ATOM 0 HG12 ILE A 121 0.277 6.775 -24.251 1.00 51.45 H new ATOM 0 HG13 ILE A 121 1.055 5.826 -25.501 1.00 51.45 H new ATOM 0 HG21 ILE A 121 1.215 3.336 -25.271 1.00 11.32 H new ATOM 0 HG22 ILE A 121 0.623 2.544 -23.792 1.00 11.32 H new ATOM 0 HG23 ILE A 121 -0.534 3.184 -24.983 1.00 11.32 H new ATOM 0 HD11 ILE A 121 -1.152 6.590 -26.227 1.00 13.11 H new ATOM 0 HD12 ILE A 121 -1.115 4.815 -26.104 1.00 13.11 H new ATOM 0 HD13 ILE A 121 -1.905 5.779 -24.833 1.00 13.11 H new ATOM 1950 N LYS A 122 0.277 3.809 -20.664 1.00 61.12 N ATOM 1951 CA LYS A 122 0.555 2.784 -19.665 1.00 71.34 C ATOM 1952 C LYS A 122 -0.732 2.100 -19.215 1.00 60.32 C ATOM 1953 O LYS A 122 -0.748 0.896 -18.955 1.00 53.50 O ATOM 1954 CB LYS A 122 1.268 3.398 -18.458 1.00 55.25 C ATOM 1955 CG LYS A 122 1.448 2.431 -17.301 1.00 60.04 C ATOM 1956 CD LYS A 122 0.632 2.852 -16.091 1.00 31.54 C ATOM 1957 CE LYS A 122 0.248 1.655 -15.234 1.00 23.40 C ATOM 1958 NZ LYS A 122 -0.903 1.959 -14.340 1.00 21.23 N ATOM 0 H LYS A 122 0.679 4.723 -20.453 1.00 61.12 H new ATOM 0 HA LYS A 122 1.204 2.036 -20.120 1.00 71.34 H new ATOM 0 HB2 LYS A 122 2.246 3.763 -18.771 1.00 55.25 H new ATOM 0 HB3 LYS A 122 0.701 4.263 -18.113 1.00 55.25 H new ATOM 0 HG2 LYS A 122 1.149 1.430 -17.612 1.00 60.04 H new ATOM 0 HG3 LYS A 122 2.502 2.379 -17.030 1.00 60.04 H new ATOM 0 HD2 LYS A 122 1.205 3.560 -15.493 1.00 31.54 H new ATOM 0 HD3 LYS A 122 -0.269 3.369 -16.421 1.00 31.54 H new ATOM 0 HE2 LYS A 122 -0.005 0.813 -15.879 1.00 23.40 H new ATOM 0 HE3 LYS A 122 1.104 1.349 -14.633 1.00 23.40 H new ATOM 0 HZ1 LYS A 122 -1.134 1.118 -13.773 1.00 21.23 H new ATOM 0 HZ2 LYS A 122 -0.653 2.746 -13.707 1.00 21.23 H new ATOM 0 HZ3 LYS A 122 -1.728 2.226 -14.915 1.00 21.23 H new ATOM 1972 N ASP A 123 -1.808 2.874 -19.127 1.00 31.50 N ATOM 1973 CA ASP A 123 -3.101 2.341 -18.711 1.00 5.42 C ATOM 1974 C ASP A 123 -3.488 1.132 -19.556 1.00 25.54 C ATOM 1975 O ASP A 123 -4.019 0.147 -19.042 1.00 15.11 O ATOM 1976 CB ASP A 123 -4.179 3.420 -18.819 1.00 11.42 C ATOM 1977 CG ASP A 123 -5.353 3.161 -17.895 1.00 24.51 C ATOM 1978 OD1 ASP A 123 -5.117 2.858 -16.706 1.00 43.31 O ATOM 1979 OD2 ASP A 123 -6.507 3.260 -18.360 1.00 41.23 O ATOM 0 H ASP A 123 -1.811 3.872 -19.338 1.00 31.50 H new ATOM 0 HA ASP A 123 -3.018 2.023 -17.672 1.00 5.42 H new ATOM 0 HB2 ASP A 123 -3.742 4.390 -18.583 1.00 11.42 H new ATOM 0 HB3 ASP A 123 -4.535 3.472 -19.848 1.00 11.42 H new ATOM 1984 N PHE A 124 -3.218 1.212 -20.854 1.00 41.43 N ATOM 1985 CA PHE A 124 -3.540 0.125 -21.771 1.00 42.11 C ATOM 1986 C PHE A 124 -2.635 -1.079 -21.526 1.00 33.14 C ATOM 1987 O PHE A 124 -3.107 -2.212 -21.414 1.00 5.42 O ATOM 1988 CB PHE A 124 -3.401 0.594 -23.221 1.00 11.11 C ATOM 1989 CG PHE A 124 -4.712 0.939 -23.867 1.00 52.04 C ATOM 1990 CD1 PHE A 124 -5.441 2.038 -23.442 1.00 75.22 C ATOM 1991 CD2 PHE A 124 -5.215 0.165 -24.901 1.00 32.15 C ATOM 1992 CE1 PHE A 124 -6.649 2.357 -24.035 1.00 24.31 C ATOM 1993 CE2 PHE A 124 -6.422 0.479 -25.497 1.00 44.24 C ATOM 1994 CZ PHE A 124 -7.139 1.577 -25.065 1.00 3.34 C ATOM 0 H PHE A 124 -2.777 2.019 -21.295 1.00 41.43 H new ATOM 0 HA PHE A 124 -4.572 -0.175 -21.591 1.00 42.11 H new ATOM 0 HB2 PHE A 124 -2.749 1.467 -23.251 1.00 11.11 H new ATOM 0 HB3 PHE A 124 -2.913 -0.188 -23.802 1.00 11.11 H new ATOM 0 HD1 PHE A 124 -5.062 2.652 -22.639 1.00 75.22 H new ATOM 0 HD2 PHE A 124 -4.657 -0.694 -25.245 1.00 32.15 H new ATOM 0 HE1 PHE A 124 -7.209 3.215 -23.693 1.00 24.31 H new ATOM 0 HE2 PHE A 124 -6.804 -0.134 -26.300 1.00 44.24 H new ATOM 0 HZ PHE A 124 -8.081 1.826 -25.531 1.00 3.34 H new ATOM 2004 N LEU A 125 -1.334 -0.826 -21.443 1.00 63.53 N ATOM 2005 CA LEU A 125 -0.361 -1.889 -21.212 1.00 13.05 C ATOM 2006 C LEU A 125 -0.712 -2.684 -19.958 1.00 20.10 C ATOM 2007 O LEU A 125 -0.941 -3.892 -20.020 1.00 60.11 O ATOM 2008 CB LEU A 125 1.045 -1.301 -21.079 1.00 54.34 C ATOM 2009 CG LEU A 125 1.679 -0.782 -22.370 1.00 51.43 C ATOM 2010 CD1 LEU A 125 2.622 0.374 -22.074 1.00 42.04 C ATOM 2011 CD2 LEU A 125 2.415 -1.902 -23.091 1.00 13.11 C ATOM 0 H LEU A 125 -0.928 0.105 -21.532 1.00 63.53 H new ATOM 0 HA LEU A 125 -0.386 -2.564 -22.068 1.00 13.05 H new ATOM 0 HB2 LEU A 125 1.008 -0.482 -20.361 1.00 54.34 H new ATOM 0 HB3 LEU A 125 1.699 -2.065 -20.658 1.00 54.34 H new ATOM 0 HG LEU A 125 0.885 -0.418 -23.022 1.00 51.43 H new ATOM 0 HD11 LEU A 125 3.064 0.730 -23.004 1.00 42.04 H new ATOM 0 HD12 LEU A 125 2.067 1.185 -21.602 1.00 42.04 H new ATOM 0 HD13 LEU A 125 3.412 0.036 -21.403 1.00 42.04 H new ATOM 0 HD21 LEU A 125 2.860 -1.514 -24.007 1.00 13.11 H new ATOM 0 HD22 LEU A 125 3.200 -2.296 -22.445 1.00 13.11 H new ATOM 0 HD23 LEU A 125 1.713 -2.699 -23.337 1.00 13.11 H new ATOM 2023 N VAL A 126 -0.754 -1.998 -18.820 1.00 53.44 N ATOM 2024 CA VAL A 126 -1.081 -2.639 -17.552 1.00 44.23 C ATOM 2025 C VAL A 126 -2.432 -3.340 -17.623 1.00 34.12 C ATOM 2026 O VAL A 126 -2.660 -4.342 -16.944 1.00 41.43 O ATOM 2027 CB VAL A 126 -1.103 -1.620 -16.398 1.00 2.25 C ATOM 2028 CG1 VAL A 126 -2.180 -0.572 -16.631 1.00 14.23 C ATOM 2029 CG2 VAL A 126 -1.314 -2.327 -15.067 1.00 72.04 C ATOM 0 H VAL A 126 -0.566 -0.998 -18.750 1.00 53.44 H new ATOM 0 HA VAL A 126 -0.302 -3.377 -17.360 1.00 44.23 H new ATOM 0 HB VAL A 126 -0.138 -1.113 -16.365 1.00 2.25 H new ATOM 0 HG11 VAL A 126 -2.180 0.139 -15.805 1.00 14.23 H new ATOM 0 HG12 VAL A 126 -1.979 -0.045 -17.564 1.00 14.23 H new ATOM 0 HG13 VAL A 126 -3.154 -1.058 -16.691 1.00 14.23 H new ATOM 0 HG21 VAL A 126 -1.327 -1.592 -14.262 1.00 72.04 H new ATOM 0 HG22 VAL A 126 -2.264 -2.861 -15.085 1.00 72.04 H new ATOM 0 HG23 VAL A 126 -0.503 -3.035 -14.898 1.00 72.04 H new ATOM 2039 N SER A 127 -3.327 -2.807 -18.449 1.00 61.21 N ATOM 2040 CA SER A 127 -4.659 -3.380 -18.606 1.00 64.04 C ATOM 2041 C SER A 127 -4.575 -4.872 -18.913 1.00 34.31 C ATOM 2042 O SER A 127 -5.467 -5.640 -18.554 1.00 74.40 O ATOM 2043 CB SER A 127 -5.418 -2.660 -19.723 1.00 21.23 C ATOM 2044 OG SER A 127 -6.728 -2.314 -19.308 1.00 21.45 O ATOM 0 H SER A 127 -3.154 -1.979 -19.020 1.00 61.21 H new ATOM 0 HA SER A 127 -5.197 -3.249 -17.667 1.00 64.04 H new ATOM 0 HB2 SER A 127 -4.876 -1.760 -20.014 1.00 21.23 H new ATOM 0 HB3 SER A 127 -5.469 -3.300 -20.604 1.00 21.23 H new ATOM 0 HG SER A 127 -7.192 -1.854 -20.038 1.00 21.45 H new ATOM 2050 N GLN A 128 -3.498 -5.274 -19.579 1.00 4.03 N ATOM 2051 CA GLN A 128 -3.298 -6.674 -19.934 1.00 43.25 C ATOM 2052 C GLN A 128 -3.163 -7.539 -18.686 1.00 34.03 C ATOM 2053 O GLN A 128 -3.820 -8.573 -18.561 1.00 51.04 O ATOM 2054 CB GLN A 128 -2.054 -6.826 -20.811 1.00 64.53 C ATOM 2055 CG GLN A 128 -2.252 -6.342 -22.238 1.00 42.33 C ATOM 2056 CD GLN A 128 -2.679 -7.452 -23.178 1.00 23.10 C ATOM 2057 OE1 GLN A 128 -2.141 -8.559 -23.134 1.00 34.21 O ATOM 2058 NE2 GLN A 128 -3.650 -7.162 -24.035 1.00 52.34 N ATOM 0 H GLN A 128 -2.750 -4.650 -19.884 1.00 4.03 H new ATOM 0 HA GLN A 128 -4.172 -7.009 -20.493 1.00 43.25 H new ATOM 0 HB2 GLN A 128 -1.231 -6.272 -20.359 1.00 64.53 H new ATOM 0 HB3 GLN A 128 -1.759 -7.875 -20.830 1.00 64.53 H new ATOM 0 HG2 GLN A 128 -3.004 -5.553 -22.249 1.00 42.33 H new ATOM 0 HG3 GLN A 128 -1.323 -5.902 -22.600 1.00 42.33 H new ATOM 0 HE21 GLN A 128 -4.068 -6.231 -24.037 1.00 52.34 H new ATOM 0 HE22 GLN A 128 -3.979 -7.870 -24.692 1.00 52.34 H new ATOM 2067 N ASP A 129 -2.309 -7.110 -17.764 1.00 3.32 N ATOM 2068 CA ASP A 129 -2.089 -7.845 -16.524 1.00 4.13 C ATOM 2069 C ASP A 129 -1.497 -9.222 -16.806 1.00 62.23 C ATOM 2070 O ASP A 129 -1.597 -10.132 -15.983 1.00 72.45 O ATOM 2071 CB ASP A 129 -3.401 -7.989 -15.751 1.00 41.43 C ATOM 2072 CG ASP A 129 -3.186 -8.049 -14.252 1.00 13.13 C ATOM 2073 OD1 ASP A 129 -2.777 -7.023 -13.670 1.00 2.13 O ATOM 2074 OD2 ASP A 129 -3.427 -9.122 -13.660 1.00 72.32 O ATOM 0 H ASP A 129 -1.757 -6.257 -17.852 1.00 3.32 H new ATOM 0 HA ASP A 129 -1.380 -7.281 -15.918 1.00 4.13 H new ATOM 0 HB2 ASP A 129 -4.053 -7.148 -15.988 1.00 41.43 H new ATOM 0 HB3 ASP A 129 -3.915 -8.893 -16.078 1.00 41.43 H new ATOM 2079 N ARG A 130 -0.881 -9.368 -17.975 1.00 51.40 N ATOM 2080 CA ARG A 130 -0.275 -10.634 -18.367 1.00 73.50 C ATOM 2081 C ARG A 130 0.453 -10.499 -19.701 1.00 71.21 C ATOM 2082 O ARG A 130 0.051 -11.093 -20.702 1.00 73.32 O ATOM 2083 CB ARG A 130 -1.343 -11.726 -18.465 1.00 3.01 C ATOM 2084 CG ARG A 130 -0.805 -13.127 -18.223 1.00 52.03 C ATOM 2085 CD ARG A 130 -1.700 -14.183 -18.853 1.00 21.22 C ATOM 2086 NE ARG A 130 -2.861 -14.484 -18.020 1.00 13.20 N ATOM 2087 CZ ARG A 130 -3.817 -15.337 -18.372 1.00 11.51 C ATOM 2088 NH1 ARG A 130 -3.750 -15.970 -19.535 1.00 23.03 N ATOM 2089 NH2 ARG A 130 -4.843 -15.557 -17.560 1.00 21.43 N ATOM 0 H ARG A 130 -0.789 -8.624 -18.667 1.00 51.40 H new ATOM 0 HA ARG A 130 0.451 -10.912 -17.603 1.00 73.50 H new ATOM 0 HB2 ARG A 130 -2.131 -11.518 -17.741 1.00 3.01 H new ATOM 0 HB3 ARG A 130 -1.801 -11.687 -19.454 1.00 3.01 H new ATOM 0 HG2 ARG A 130 0.201 -13.208 -18.635 1.00 52.03 H new ATOM 0 HG3 ARG A 130 -0.726 -13.308 -17.151 1.00 52.03 H new ATOM 0 HD2 ARG A 130 -2.035 -13.838 -19.831 1.00 21.22 H new ATOM 0 HD3 ARG A 130 -1.125 -15.095 -19.017 1.00 21.22 H new ATOM 0 HE ARG A 130 -2.943 -14.014 -17.119 1.00 13.20 H new ATOM 0 HH11 ARG A 130 -2.963 -15.803 -20.162 1.00 23.03 H new ATOM 0 HH12 ARG A 130 -4.485 -16.624 -19.803 1.00 23.03 H new ATOM 0 HH21 ARG A 130 -4.898 -15.071 -16.665 1.00 21.43 H new ATOM 0 HH22 ARG A 130 -5.577 -16.212 -17.831 1.00 21.43 H new ATOM 2103 N CYS A 131 1.525 -9.714 -19.707 1.00 75.41 N ATOM 2104 CA CYS A 131 2.308 -9.500 -20.918 1.00 43.24 C ATOM 2105 C CYS A 131 3.771 -9.233 -20.579 1.00 63.33 C ATOM 2106 O CYS A 131 4.080 -8.609 -19.565 1.00 32.35 O ATOM 2107 CB CYS A 131 1.737 -8.329 -21.720 1.00 33.50 C ATOM 2108 SG CYS A 131 2.097 -8.401 -23.490 1.00 65.13 S ATOM 0 H CYS A 131 1.871 -9.216 -18.887 1.00 75.41 H new ATOM 0 HA CYS A 131 2.252 -10.406 -21.521 1.00 43.24 H new ATOM 0 HB2 CYS A 131 0.656 -8.300 -21.581 1.00 33.50 H new ATOM 0 HB3 CYS A 131 2.135 -7.398 -21.317 1.00 33.50 H new ATOM 0 HG CYS A 131 1.571 -7.370 -24.082 1.00 65.13 H new ATOM 2114 N ALA A 132 4.668 -9.712 -21.435 1.00 63.20 N ATOM 2115 CA ALA A 132 6.099 -9.525 -21.226 1.00 72.54 C ATOM 2116 C ALA A 132 6.714 -8.697 -22.349 1.00 71.45 C ATOM 2117 O ALA A 132 6.797 -9.149 -23.491 1.00 51.21 O ATOM 2118 CB ALA A 132 6.797 -10.873 -21.118 1.00 73.15 C ATOM 0 H ALA A 132 4.429 -10.232 -22.279 1.00 63.20 H new ATOM 0 HA ALA A 132 6.237 -8.981 -20.292 1.00 72.54 H new ATOM 0 HB1 ALA A 132 7.865 -10.718 -20.962 1.00 73.15 H new ATOM 0 HB2 ALA A 132 6.384 -11.430 -20.277 1.00 73.15 H new ATOM 0 HB3 ALA A 132 6.643 -11.437 -22.038 1.00 73.15 H new ATOM 2124 N GLU A 133 7.143 -7.484 -22.017 1.00 52.21 N ATOM 2125 CA GLU A 133 7.749 -6.593 -23.000 1.00 11.13 C ATOM 2126 C GLU A 133 9.004 -5.933 -22.435 1.00 72.41 C ATOM 2127 O GLU A 133 9.022 -5.487 -21.288 1.00 32.42 O ATOM 2128 CB GLU A 133 6.748 -5.521 -23.435 1.00 13.32 C ATOM 2129 CG GLU A 133 6.880 -5.122 -24.895 1.00 15.40 C ATOM 2130 CD GLU A 133 5.585 -4.581 -25.471 1.00 43.11 C ATOM 2131 OE1 GLU A 133 4.589 -5.334 -25.500 1.00 64.05 O ATOM 2132 OE2 GLU A 133 5.568 -3.406 -25.892 1.00 41.45 O ATOM 0 H GLU A 133 7.082 -7.096 -21.076 1.00 52.21 H new ATOM 0 HA GLU A 133 8.032 -7.189 -23.868 1.00 11.13 H new ATOM 0 HB2 GLU A 133 5.737 -5.887 -23.257 1.00 13.32 H new ATOM 0 HB3 GLU A 133 6.882 -4.637 -22.812 1.00 13.32 H new ATOM 0 HG2 GLU A 133 7.660 -4.367 -24.992 1.00 15.40 H new ATOM 0 HG3 GLU A 133 7.199 -5.987 -25.477 1.00 15.40 H new ATOM 2139 N VAL A 134 10.053 -5.876 -23.250 1.00 33.03 N ATOM 2140 CA VAL A 134 11.312 -5.271 -22.833 1.00 61.10 C ATOM 2141 C VAL A 134 12.051 -4.667 -24.022 1.00 1.55 C ATOM 2142 O VAL A 134 12.131 -5.272 -25.091 1.00 43.20 O ATOM 2143 CB VAL A 134 12.227 -6.300 -22.143 1.00 4.44 C ATOM 2144 CG1 VAL A 134 12.462 -7.499 -23.049 1.00 2.34 C ATOM 2145 CG2 VAL A 134 13.547 -5.655 -21.744 1.00 72.54 C ATOM 0 H VAL A 134 10.055 -6.241 -24.202 1.00 33.03 H new ATOM 0 HA VAL A 134 11.065 -4.482 -22.123 1.00 61.10 H new ATOM 0 HB VAL A 134 11.732 -6.652 -21.238 1.00 4.44 H new ATOM 0 HG11 VAL A 134 13.111 -8.215 -22.544 1.00 2.34 H new ATOM 0 HG12 VAL A 134 11.508 -7.973 -23.280 1.00 2.34 H new ATOM 0 HG13 VAL A 134 12.936 -7.169 -23.973 1.00 2.34 H new ATOM 0 HG21 VAL A 134 14.182 -6.396 -21.258 1.00 72.54 H new ATOM 0 HG22 VAL A 134 14.049 -5.274 -22.633 1.00 72.54 H new ATOM 0 HG23 VAL A 134 13.356 -4.832 -21.055 1.00 72.54 H new ATOM 2155 N THR A 135 12.592 -3.467 -23.828 1.00 34.43 N ATOM 2156 CA THR A 135 13.324 -2.779 -24.883 1.00 60.53 C ATOM 2157 C THR A 135 14.410 -1.881 -24.303 1.00 63.12 C ATOM 2158 O THR A 135 14.125 -0.958 -23.539 1.00 34.54 O ATOM 2159 CB THR A 135 12.383 -1.929 -25.758 1.00 22.14 C ATOM 2160 OG1 THR A 135 11.114 -1.781 -25.111 1.00 3.41 O ATOM 2161 CG2 THR A 135 12.190 -2.568 -27.124 1.00 73.44 C ATOM 0 H THR A 135 12.536 -2.952 -22.949 1.00 34.43 H new ATOM 0 HA THR A 135 13.785 -3.549 -25.501 1.00 60.53 H new ATOM 0 HB THR A 135 12.837 -0.948 -25.895 1.00 22.14 H new ATOM 0 HG1 THR A 135 11.252 -1.516 -24.178 1.00 3.41 H new ATOM 0 HG21 THR A 135 11.522 -1.950 -27.724 1.00 73.44 H new ATOM 0 HG22 THR A 135 13.154 -2.653 -27.626 1.00 73.44 H new ATOM 0 HG23 THR A 135 11.755 -3.560 -27.003 1.00 73.44 H new ATOM 2169 N LEU A 136 15.657 -2.155 -24.671 1.00 70.12 N ATOM 2170 CA LEU A 136 16.788 -1.370 -24.187 1.00 75.25 C ATOM 2171 C LEU A 136 17.915 -1.349 -25.215 1.00 12.22 C ATOM 2172 O LEU A 136 18.425 -2.396 -25.612 1.00 11.12 O ATOM 2173 CB LEU A 136 17.300 -1.940 -22.863 1.00 54.53 C ATOM 2174 CG LEU A 136 17.900 -3.344 -22.924 1.00 65.32 C ATOM 2175 CD1 LEU A 136 19.408 -3.289 -22.729 1.00 73.04 C ATOM 2176 CD2 LEU A 136 17.258 -4.245 -21.879 1.00 44.20 C ATOM 0 H LEU A 136 15.911 -2.915 -25.303 1.00 70.12 H new ATOM 0 HA LEU A 136 16.448 -0.347 -24.027 1.00 75.25 H new ATOM 0 HB2 LEU A 136 18.055 -1.261 -22.466 1.00 54.53 H new ATOM 0 HB3 LEU A 136 16.474 -1.950 -22.151 1.00 54.53 H new ATOM 0 HG LEU A 136 17.696 -3.762 -23.910 1.00 65.32 H new ATOM 0 HD11 LEU A 136 19.818 -4.298 -22.775 1.00 73.04 H new ATOM 0 HD12 LEU A 136 19.854 -2.679 -23.515 1.00 73.04 H new ATOM 0 HD13 LEU A 136 19.633 -2.850 -21.757 1.00 73.04 H new ATOM 0 HD21 LEU A 136 17.698 -5.241 -21.937 1.00 44.20 H new ATOM 0 HD22 LEU A 136 17.430 -3.830 -20.886 1.00 44.20 H new ATOM 0 HD23 LEU A 136 16.186 -4.311 -22.064 1.00 44.20 H new