USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ -170:sc= 1.29 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.839 K(o=2.1,f=-4.8!) USER MOD Set 2.1: A 51 MET CE :methyl -125:sc= -0.413 (180deg=-0.0588) USER MOD Set 2.2: A 71 MET CE :methyl 159:sc= -0.0352 (180deg=-0.439) USER MOD Set 3.1: A 26 THR OG1 : rot -3:sc= 1.24 USER MOD Set 3.2: A 60 ASN : amide:sc= 0.123 K(o=1.4,f=-1.7!) USER MOD Set 3.3: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00145 USER MOD Single : A 29 THR OG1 : rot 134:sc= 1.03 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.03) USER MOD Single : A 34 THR OG1 : rot 62:sc= 1.23 USER MOD Single : A 36 MET CE :methyl 167:sc= 0 (180deg=-0.292) USER MOD Single : A 38 SER OG : rot 67:sc= 0.0524 USER MOD Single : A 41 GLN : amide:sc= -0.048 X(o=-0.048,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.48) USER MOD Single : A 44 THR OG1 : rot 156:sc= 0.508 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.227 USER MOD Single : A 72 MET CE :methyl -161:sc= 0 (180deg=-0.0614) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -58:sc= 0.734 USER MOD Single : A 109 MET CE :methyl -164:sc= 0 (180deg=-0.494) USER MOD Single : A 110 THR OG1 : rot 2:sc= 0.13 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -78:sc= 1.39 USER MOD Single : A 124 MET CE :methyl -150:sc= -1.2 (180deg=-2.88!) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= 0.164 K(o=0.16,f=-1.5!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0.0413 X(o=0.041,f=0) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 172:sc= 0 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -14.006 17.607 -0.401 1.00 0.00 N ATOM 59 CA THR A 5 -14.889 18.477 -1.114 1.00 0.00 C ATOM 60 C THR A 5 -15.944 17.608 -1.707 1.00 0.00 C ATOM 61 O THR A 5 -15.795 16.393 -1.825 1.00 0.00 O ATOM 62 CB THR A 5 -14.206 19.342 -2.132 1.00 0.00 C ATOM 63 OG1 THR A 5 -13.777 18.586 -3.255 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.980 20.052 -1.534 1.00 0.00 C ATOM 0 HA THR A 5 -15.321 19.206 -0.429 1.00 0.00 H new ATOM 0 HB THR A 5 -14.942 20.081 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.338 19.179 -3.900 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.509 20.670 -2.298 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.294 20.681 -0.701 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.267 19.309 -1.178 1.00 0.00 H new ATOM 72 N GLU A 6 -17.011 18.241 -2.225 1.00 0.00 N ATOM 73 CA GLU A 6 -18.053 17.713 -3.049 1.00 0.00 C ATOM 74 C GLU A 6 -17.612 17.012 -4.288 1.00 0.00 C ATOM 75 O GLU A 6 -18.248 16.035 -4.680 1.00 0.00 O ATOM 76 CB GLU A 6 -19.012 18.814 -3.532 1.00 0.00 C ATOM 77 CG GLU A 6 -19.676 19.501 -2.337 1.00 0.00 C ATOM 78 CD GLU A 6 -20.539 20.637 -2.867 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.008 21.706 -3.270 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.760 20.362 -3.016 1.00 0.00 O ATOM 0 H GLU A 6 -17.157 19.234 -2.044 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.524 16.991 -2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.465 19.548 -4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -19.774 18.383 -4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -20.284 18.790 -1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.921 19.884 -1.650 1.00 0.00 H new ATOM 87 N GLU A 7 -16.489 17.387 -4.926 1.00 0.00 N ATOM 88 CA GLU A 7 -15.883 16.652 -5.992 1.00 0.00 C ATOM 89 C GLU A 7 -15.343 15.360 -5.481 1.00 0.00 C ATOM 90 O GLU A 7 -15.540 14.300 -6.072 1.00 0.00 O ATOM 91 CB GLU A 7 -14.764 17.480 -6.646 1.00 0.00 C ATOM 92 CG GLU A 7 -15.286 18.666 -7.460 1.00 0.00 C ATOM 93 CD GLU A 7 -14.084 19.342 -8.103 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.475 18.827 -9.078 1.00 0.00 O ATOM 95 OE2 GLU A 7 -13.691 20.449 -7.645 1.00 0.00 O ATOM 0 H GLU A 7 -15.982 18.239 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.641 16.441 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.093 17.848 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.175 16.833 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.989 18.329 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.822 19.366 -6.818 1.00 0.00 H new ATOM 102 N GLN A 8 -14.588 15.437 -4.371 1.00 0.00 N ATOM 103 CA GLN A 8 -14.000 14.300 -3.733 1.00 0.00 C ATOM 104 C GLN A 8 -15.054 13.338 -3.303 1.00 0.00 C ATOM 105 O GLN A 8 -14.938 12.130 -3.500 1.00 0.00 O ATOM 106 CB GLN A 8 -13.023 14.589 -2.581 1.00 0.00 C ATOM 107 CG GLN A 8 -11.814 15.444 -2.964 1.00 0.00 C ATOM 108 CD GLN A 8 -10.871 15.712 -1.800 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.940 16.844 -1.322 1.00 0.00 O ATOM 110 NE2 GLN A 8 -10.079 14.699 -1.357 1.00 0.00 N ATOM 0 H GLN A 8 -14.380 16.319 -3.902 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.369 13.859 -4.505 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.566 15.091 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.667 13.641 -2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.263 14.945 -3.761 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.163 16.395 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.098 13.794 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.466 14.844 -0.555 1.00 0.00 H new ATOM 119 N ILE A 9 -16.158 13.822 -2.707 1.00 0.00 N ATOM 120 CA ILE A 9 -17.312 13.090 -2.287 1.00 0.00 C ATOM 121 C ILE A 9 -18.099 12.574 -3.442 1.00 0.00 C ATOM 122 O ILE A 9 -18.601 11.456 -3.332 1.00 0.00 O ATOM 123 CB ILE A 9 -18.045 13.775 -1.171 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.163 13.929 0.080 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.374 13.054 -0.888 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.706 14.950 1.079 1.00 0.00 C ATOM 0 H ILE A 9 -16.249 14.817 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.000 12.164 -1.803 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.288 14.791 -1.483 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -17.072 12.961 0.573 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.160 14.227 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.897 13.560 -0.076 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.994 13.069 -1.784 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.174 12.021 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.037 15.010 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.772 15.927 0.601 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -18.697 14.642 1.412 1.00 0.00 H new ATOM 138 N ALA A 10 -18.061 13.201 -4.631 1.00 0.00 N ATOM 139 CA ALA A 10 -18.672 12.718 -5.831 1.00 0.00 C ATOM 140 C ALA A 10 -18.060 11.478 -6.385 1.00 0.00 C ATOM 141 O ALA A 10 -18.741 10.673 -7.019 1.00 0.00 O ATOM 142 CB ALA A 10 -18.777 13.745 -6.971 1.00 0.00 C ATOM 0 H ALA A 10 -17.579 14.091 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.676 12.492 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.254 13.282 -7.835 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.373 14.596 -6.640 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.779 14.086 -7.247 1.00 0.00 H new ATOM 148 N GLU A 11 -16.734 11.332 -6.214 1.00 0.00 N ATOM 149 CA GLU A 11 -15.953 10.203 -6.613 1.00 0.00 C ATOM 150 C GLU A 11 -16.187 9.003 -5.761 1.00 0.00 C ATOM 151 O GLU A 11 -16.289 7.891 -6.276 1.00 0.00 O ATOM 152 CB GLU A 11 -14.462 10.579 -6.615 1.00 0.00 C ATOM 153 CG GLU A 11 -14.217 11.558 -7.765 1.00 0.00 C ATOM 154 CD GLU A 11 -14.285 10.941 -9.155 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.702 9.840 -9.342 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.999 11.371 -10.099 1.00 0.00 O ATOM 0 H GLU A 11 -16.170 12.054 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.269 9.931 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.183 11.033 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -13.846 9.688 -6.736 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.952 12.361 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.236 12.013 -7.633 1.00 0.00 H new ATOM 163 N PHE A 12 -16.361 9.182 -4.439 1.00 0.00 N ATOM 164 CA PHE A 12 -16.769 8.235 -3.448 1.00 0.00 C ATOM 165 C PHE A 12 -18.196 7.830 -3.584 1.00 0.00 C ATOM 166 O PHE A 12 -18.502 6.652 -3.411 1.00 0.00 O ATOM 167 CB PHE A 12 -16.579 8.682 -1.989 1.00 0.00 C ATOM 168 CG PHE A 12 -15.213 8.553 -1.408 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.574 7.347 -1.239 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.463 9.680 -1.171 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.305 7.202 -0.730 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.195 9.574 -0.652 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.606 8.350 -0.438 1.00 0.00 C ATOM 0 H PHE A 12 -16.196 10.097 -4.020 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.097 7.401 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.880 9.727 -1.914 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.266 8.107 -1.368 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -15.106 6.452 -1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.872 10.654 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.874 6.225 -0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.649 10.473 -0.407 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.602 8.291 -0.044 1.00 0.00 H new ATOM 183 N LYS A 13 -19.022 8.768 -4.083 1.00 0.00 N ATOM 184 CA LYS A 13 -20.355 8.484 -4.513 1.00 0.00 C ATOM 185 C LYS A 13 -20.550 7.641 -5.725 1.00 0.00 C ATOM 186 O LYS A 13 -21.392 6.745 -5.761 1.00 0.00 O ATOM 187 CB LYS A 13 -21.163 9.783 -4.673 1.00 0.00 C ATOM 188 CG LYS A 13 -22.684 9.689 -4.814 1.00 0.00 C ATOM 189 CD LYS A 13 -23.450 9.080 -3.638 1.00 0.00 C ATOM 190 CE LYS A 13 -23.464 9.795 -2.286 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.333 10.993 -2.298 1.00 0.00 N ATOM 0 H LYS A 13 -18.756 9.747 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.719 7.856 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -20.949 10.414 -3.810 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -20.781 10.304 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.072 10.693 -4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.907 9.102 -5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.487 8.960 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.049 8.080 -3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -23.809 9.105 -1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.448 10.087 -2.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.313 11.446 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.990 11.664 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.308 10.712 -2.525 1.00 0.00 H new ATOM 205 N GLU A 14 -19.679 7.885 -6.721 1.00 0.00 N ATOM 206 CA GLU A 14 -19.585 7.023 -7.858 1.00 0.00 C ATOM 207 C GLU A 14 -19.030 5.672 -7.566 1.00 0.00 C ATOM 208 O GLU A 14 -19.579 4.711 -8.104 1.00 0.00 O ATOM 209 CB GLU A 14 -18.821 7.512 -9.100 1.00 0.00 C ATOM 210 CG GLU A 14 -19.476 8.743 -9.729 1.00 0.00 C ATOM 211 CD GLU A 14 -18.611 9.546 -10.691 1.00 0.00 C ATOM 212 OE1 GLU A 14 -17.641 8.967 -11.248 1.00 0.00 O ATOM 213 OE2 GLU A 14 -18.943 10.740 -10.920 1.00 0.00 O ATOM 0 H GLU A 14 -19.040 8.680 -6.739 1.00 0.00 H new ATOM 0 HA GLU A 14 -20.647 7.005 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -17.794 7.750 -8.823 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.775 6.710 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.371 8.421 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.802 9.405 -8.927 1.00 0.00 H new ATOM 220 N ALA A 15 -18.076 5.478 -6.638 1.00 0.00 N ATOM 221 CA ALA A 15 -17.725 4.209 -6.079 1.00 0.00 C ATOM 222 C ALA A 15 -18.831 3.449 -5.432 1.00 0.00 C ATOM 223 O ALA A 15 -18.961 2.241 -5.621 1.00 0.00 O ATOM 224 CB ALA A 15 -16.479 4.472 -5.216 1.00 0.00 C ATOM 0 H ALA A 15 -17.521 6.245 -6.258 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.493 3.494 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.153 3.540 -4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.679 4.866 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.721 5.196 -4.438 1.00 0.00 H new ATOM 230 N PHE A 16 -19.642 4.062 -4.551 1.00 0.00 N ATOM 231 CA PHE A 16 -20.721 3.466 -3.826 1.00 0.00 C ATOM 232 C PHE A 16 -21.731 2.796 -4.692 1.00 0.00 C ATOM 233 O PHE A 16 -22.011 1.602 -4.593 1.00 0.00 O ATOM 234 CB PHE A 16 -21.409 4.408 -2.825 1.00 0.00 C ATOM 235 CG PHE A 16 -22.016 3.659 -1.689 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.260 3.091 -1.836 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.381 3.568 -0.473 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.880 2.471 -0.776 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.011 2.963 0.590 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.237 2.361 0.434 1.00 0.00 C ATOM 0 H PHE A 16 -19.533 5.052 -4.330 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.225 2.691 -3.242 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.683 5.124 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.182 4.981 -3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.756 3.132 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.387 3.972 -0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.875 2.069 -0.895 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.536 2.961 1.560 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.687 1.811 1.248 1.00 0.00 H new ATOM 250 N SER A 17 -22.325 3.639 -5.555 1.00 0.00 N ATOM 251 CA SER A 17 -23.426 3.263 -6.386 1.00 0.00 C ATOM 252 C SER A 17 -23.151 2.346 -7.528 1.00 0.00 C ATOM 253 O SER A 17 -24.093 1.799 -8.101 1.00 0.00 O ATOM 254 CB SER A 17 -24.022 4.567 -6.941 1.00 0.00 C ATOM 255 OG SER A 17 -24.443 5.397 -5.868 1.00 0.00 O ATOM 0 H SER A 17 -22.032 4.608 -5.678 1.00 0.00 H new ATOM 0 HA SER A 17 -24.090 2.682 -5.746 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.281 5.088 -7.547 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.866 4.343 -7.593 1.00 0.00 H new ATOM 0 HG SER A 17 -24.821 6.228 -6.226 1.00 0.00 H new ATOM 261 N LEU A 18 -21.872 2.154 -7.894 1.00 0.00 N ATOM 262 CA LEU A 18 -21.486 1.071 -8.745 1.00 0.00 C ATOM 263 C LEU A 18 -21.403 -0.273 -8.108 1.00 0.00 C ATOM 264 O LEU A 18 -21.548 -1.282 -8.797 1.00 0.00 O ATOM 265 CB LEU A 18 -20.117 1.371 -9.378 1.00 0.00 C ATOM 266 CG LEU A 18 -20.163 2.512 -10.409 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.767 3.083 -10.711 1.00 0.00 C ATOM 268 CD2 LEU A 18 -20.831 2.061 -11.719 1.00 0.00 C ATOM 0 H LEU A 18 -21.100 2.752 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.294 1.011 -9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.409 1.630 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.742 0.469 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.763 3.303 -9.959 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.853 3.885 -11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.328 3.475 -9.794 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.130 2.294 -11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.846 2.892 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.268 1.232 -12.148 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -21.852 1.740 -11.515 1.00 0.00 H new ATOM 280 N PHE A 19 -21.193 -0.319 -6.780 1.00 0.00 N ATOM 281 CA PHE A 19 -21.318 -1.485 -5.963 1.00 0.00 C ATOM 282 C PHE A 19 -22.732 -1.788 -5.605 1.00 0.00 C ATOM 283 O PHE A 19 -23.130 -2.930 -5.829 1.00 0.00 O ATOM 284 CB PHE A 19 -20.552 -1.430 -4.631 1.00 0.00 C ATOM 285 CG PHE A 19 -19.078 -1.473 -4.843 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.422 -2.515 -5.454 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.390 -0.475 -4.193 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.049 -2.545 -5.393 1.00 0.00 C ATOM 289 CE2 PHE A 19 -17.029 -0.413 -4.379 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.336 -1.501 -4.854 1.00 0.00 C ATOM 0 H PHE A 19 -20.920 0.507 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.885 -2.257 -6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.817 -0.518 -4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.854 -2.267 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.971 -3.290 -5.969 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.901 0.235 -3.559 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.520 -3.405 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.499 0.500 -4.150 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.258 -1.535 -4.805 1.00 0.00 H new ATOM 300 N ASP A 20 -23.540 -0.931 -4.955 1.00 0.00 N ATOM 301 CA ASP A 20 -24.820 -1.200 -4.377 1.00 0.00 C ATOM 302 C ASP A 20 -25.799 -1.360 -5.489 1.00 0.00 C ATOM 303 O ASP A 20 -26.171 -0.476 -6.259 1.00 0.00 O ATOM 304 CB ASP A 20 -25.349 -0.052 -3.500 1.00 0.00 C ATOM 305 CG ASP A 20 -26.634 -0.355 -2.742 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.965 -1.569 -2.680 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.342 0.533 -2.198 1.00 0.00 O ATOM 0 H ASP A 20 -23.268 0.043 -4.823 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.707 -2.087 -3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.577 0.220 -2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.516 0.820 -4.132 1.00 0.00 H new ATOM 312 N LYS A 21 -26.304 -2.587 -5.707 1.00 0.00 N ATOM 313 CA LYS A 21 -27.148 -2.891 -6.821 1.00 0.00 C ATOM 314 C LYS A 21 -28.563 -2.484 -6.592 1.00 0.00 C ATOM 315 O LYS A 21 -29.364 -2.046 -7.416 1.00 0.00 O ATOM 316 CB LYS A 21 -26.963 -4.408 -6.994 1.00 0.00 C ATOM 317 CG LYS A 21 -25.546 -4.871 -7.336 1.00 0.00 C ATOM 318 CD LYS A 21 -24.931 -4.245 -8.590 1.00 0.00 C ATOM 319 CE LYS A 21 -23.470 -4.653 -8.789 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.112 -4.166 -10.140 1.00 0.00 N ATOM 0 H LYS A 21 -26.123 -3.384 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.885 -2.340 -7.724 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -27.273 -4.900 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.636 -4.750 -7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.897 -4.654 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -25.557 -5.954 -7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.511 -4.543 -9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.996 -3.159 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.830 -4.208 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.349 -5.734 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.122 -4.410 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.733 -4.612 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.229 -3.133 -10.179 1.00 0.00 H new ATOM 334 N ASP A 22 -29.029 -2.606 -5.336 1.00 0.00 N ATOM 335 CA ASP A 22 -30.395 -2.537 -4.916 1.00 0.00 C ATOM 336 C ASP A 22 -30.973 -1.167 -4.835 1.00 0.00 C ATOM 337 O ASP A 22 -32.077 -0.865 -5.287 1.00 0.00 O ATOM 338 CB ASP A 22 -30.632 -3.269 -3.584 1.00 0.00 C ATOM 339 CG ASP A 22 -29.814 -4.544 -3.436 1.00 0.00 C ATOM 340 OD1 ASP A 22 -30.116 -5.525 -4.167 1.00 0.00 O ATOM 341 OD2 ASP A 22 -28.799 -4.600 -2.692 1.00 0.00 O ATOM 0 H ASP A 22 -28.398 -2.766 -4.551 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.925 -3.046 -5.721 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -30.392 -2.596 -2.761 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -31.691 -3.514 -3.497 1.00 0.00 H new ATOM 346 N GLY A 23 -30.036 -0.317 -4.378 1.00 0.00 N ATOM 347 CA GLY A 23 -30.168 1.058 -4.009 1.00 0.00 C ATOM 348 C GLY A 23 -30.651 1.253 -2.613 1.00 0.00 C ATOM 349 O GLY A 23 -31.474 2.133 -2.362 1.00 0.00 O ATOM 0 H GLY A 23 -29.075 -0.635 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.203 1.551 -4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.859 1.546 -4.696 1.00 0.00 H new ATOM 353 N ASP A 24 -30.274 0.353 -1.688 1.00 0.00 N ATOM 354 CA ASP A 24 -30.560 0.375 -0.287 1.00 0.00 C ATOM 355 C ASP A 24 -29.632 1.233 0.502 1.00 0.00 C ATOM 356 O ASP A 24 -29.919 1.770 1.571 1.00 0.00 O ATOM 357 CB ASP A 24 -30.554 -1.045 0.305 1.00 0.00 C ATOM 358 CG ASP A 24 -29.243 -1.811 0.198 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.942 -2.470 -0.832 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.589 -1.780 1.275 1.00 0.00 O ATOM 0 H ASP A 24 -29.719 -0.463 -1.946 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.556 0.812 -0.208 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.827 -0.979 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.332 -1.626 -0.190 1.00 0.00 H new ATOM 365 N GLY A 25 -28.384 1.415 0.035 1.00 0.00 N ATOM 366 CA GLY A 25 -27.436 2.296 0.644 1.00 0.00 C ATOM 367 C GLY A 25 -26.501 1.566 1.546 1.00 0.00 C ATOM 368 O GLY A 25 -25.769 2.272 2.239 1.00 0.00 O ATOM 0 H GLY A 25 -28.024 0.936 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.867 2.809 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.964 3.062 1.211 1.00 0.00 H new ATOM 372 N THR A 26 -26.436 0.226 1.461 1.00 0.00 N ATOM 373 CA THR A 26 -25.531 -0.603 2.195 1.00 0.00 C ATOM 374 C THR A 26 -24.951 -1.551 1.202 1.00 0.00 C ATOM 375 O THR A 26 -25.659 -1.923 0.268 1.00 0.00 O ATOM 376 CB THR A 26 -25.952 -1.357 3.421 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.028 -2.282 3.352 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.088 -0.381 4.602 1.00 0.00 C ATOM 0 H THR A 26 -27.049 -0.309 0.846 1.00 0.00 H new ATOM 0 HA THR A 26 -24.857 0.116 2.660 1.00 0.00 H new ATOM 0 HB THR A 26 -25.133 -2.062 3.563 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.415 -2.267 2.452 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.394 -0.929 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.129 0.104 4.785 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.837 0.374 4.365 1.00 0.00 H new ATOM 386 N ILE A 27 -23.696 -1.989 1.411 1.00 0.00 N ATOM 387 CA ILE A 27 -22.904 -2.822 0.561 1.00 0.00 C ATOM 388 C ILE A 27 -22.710 -4.090 1.320 1.00 0.00 C ATOM 389 O ILE A 27 -22.640 -4.040 2.547 1.00 0.00 O ATOM 390 CB ILE A 27 -21.641 -2.226 0.015 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.695 -0.706 -0.211 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.141 -3.020 -1.204 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.351 -0.166 -0.696 1.00 0.00 C ATOM 0 H ILE A 27 -23.189 -1.733 2.259 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.435 -2.986 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.889 -2.328 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.468 -0.473 -0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.975 -0.208 0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.224 -2.568 -1.582 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.943 -4.051 -0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.901 -3.005 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.424 0.911 -0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.584 -0.377 0.049 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -20.084 -0.646 -1.638 1.00 0.00 H new ATOM 405 N THR A 28 -22.662 -5.271 0.679 1.00 0.00 N ATOM 406 CA THR A 28 -22.202 -6.531 1.176 1.00 0.00 C ATOM 407 C THR A 28 -21.033 -7.052 0.413 1.00 0.00 C ATOM 408 O THR A 28 -20.640 -6.516 -0.622 1.00 0.00 O ATOM 409 CB THR A 28 -23.287 -7.559 1.048 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.769 -7.591 -0.288 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.467 -7.252 1.986 1.00 0.00 C ATOM 0 H THR A 28 -22.979 -5.349 -0.287 1.00 0.00 H new ATOM 0 HA THR A 28 -21.916 -6.362 2.214 1.00 0.00 H new ATOM 0 HB THR A 28 -22.859 -8.523 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.476 -8.265 -0.365 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.235 -8.017 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.119 -7.245 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.885 -6.277 1.738 1.00 0.00 H new ATOM 419 N THR A 29 -20.493 -8.206 0.844 1.00 0.00 N ATOM 420 CA THR A 29 -19.310 -8.862 0.380 1.00 0.00 C ATOM 421 C THR A 29 -19.433 -9.179 -1.071 1.00 0.00 C ATOM 422 O THR A 29 -18.525 -8.956 -1.871 1.00 0.00 O ATOM 423 CB THR A 29 -19.075 -10.179 1.059 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.296 -10.893 1.187 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.645 -9.924 2.514 1.00 0.00 C ATOM 0 H THR A 29 -20.934 -8.733 1.598 1.00 0.00 H new ATOM 0 HA THR A 29 -18.491 -8.175 0.594 1.00 0.00 H new ATOM 0 HB THR A 29 -18.334 -10.723 0.473 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.160 -11.824 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.472 -10.877 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.727 -9.337 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.431 -9.378 3.035 1.00 0.00 H new ATOM 433 N LYS A 30 -20.621 -9.673 -1.462 1.00 0.00 N ATOM 434 CA LYS A 30 -20.857 -10.117 -2.801 1.00 0.00 C ATOM 435 C LYS A 30 -20.948 -9.055 -3.843 1.00 0.00 C ATOM 436 O LYS A 30 -20.532 -9.120 -4.999 1.00 0.00 O ATOM 437 CB LYS A 30 -22.061 -11.074 -2.793 1.00 0.00 C ATOM 438 CG LYS A 30 -21.828 -12.249 -1.841 1.00 0.00 C ATOM 439 CD LYS A 30 -22.928 -13.308 -1.934 1.00 0.00 C ATOM 440 CE LYS A 30 -22.833 -14.241 -0.725 1.00 0.00 C ATOM 441 NZ LYS A 30 -21.487 -14.822 -0.521 1.00 0.00 N ATOM 0 H LYS A 30 -21.427 -9.766 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 30 -19.960 -10.647 -3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.958 -10.532 -2.493 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.238 -11.449 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.866 -12.709 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -21.772 -11.877 -0.818 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -23.907 -12.830 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -22.823 -13.878 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.120 -13.690 0.171 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -23.553 -15.050 -0.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.523 -15.519 0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.175 -15.290 -1.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -20.816 -14.066 -0.274 1.00 0.00 H new ATOM 455 N GLU A 31 -21.504 -7.907 -3.418 1.00 0.00 N ATOM 456 CA GLU A 31 -21.532 -6.666 -4.129 1.00 0.00 C ATOM 457 C GLU A 31 -20.163 -6.102 -4.297 1.00 0.00 C ATOM 458 O GLU A 31 -19.912 -5.551 -5.368 1.00 0.00 O ATOM 459 CB GLU A 31 -22.389 -5.618 -3.399 1.00 0.00 C ATOM 460 CG GLU A 31 -23.890 -5.789 -3.638 1.00 0.00 C ATOM 461 CD GLU A 31 -24.795 -4.726 -3.032 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.484 -4.282 -1.894 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.868 -4.424 -3.619 1.00 0.00 O ATOM 0 H GLU A 31 -21.967 -7.842 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.965 -6.885 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.190 -5.678 -2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.088 -4.622 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.064 -5.814 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.191 -6.760 -3.244 1.00 0.00 H new ATOM 470 N LEU A 32 -19.343 -6.144 -3.231 1.00 0.00 N ATOM 471 CA LEU A 32 -18.041 -5.554 -3.189 1.00 0.00 C ATOM 472 C LEU A 32 -17.209 -6.352 -4.134 1.00 0.00 C ATOM 473 O LEU A 32 -16.701 -5.736 -5.070 1.00 0.00 O ATOM 474 CB LEU A 32 -17.317 -5.535 -1.833 1.00 0.00 C ATOM 475 CG LEU A 32 -17.716 -4.397 -0.878 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.100 -4.708 0.497 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.155 -3.022 -1.277 1.00 0.00 C ATOM 0 H LEU A 32 -19.599 -6.610 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 32 -18.175 -4.501 -3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.499 -6.486 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.244 -5.471 -2.016 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.805 -4.346 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.364 -3.919 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.484 -5.661 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.015 -4.765 0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.480 -2.273 -0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.066 -3.064 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.521 -2.754 -2.268 1.00 0.00 H new ATOM 489 N GLY A 33 -17.090 -7.676 -3.929 1.00 0.00 N ATOM 490 CA GLY A 33 -16.282 -8.620 -4.635 1.00 0.00 C ATOM 491 C GLY A 33 -16.570 -8.815 -6.084 1.00 0.00 C ATOM 492 O GLY A 33 -15.755 -9.378 -6.814 1.00 0.00 O ATOM 0 H GLY A 33 -17.620 -8.131 -3.186 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.241 -8.314 -4.536 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.379 -9.586 -4.139 1.00 0.00 H new ATOM 496 N THR A 34 -17.691 -8.307 -6.627 1.00 0.00 N ATOM 497 CA THR A 34 -18.092 -8.507 -7.984 1.00 0.00 C ATOM 498 C THR A 34 -17.418 -7.552 -8.908 1.00 0.00 C ATOM 499 O THR A 34 -16.819 -7.933 -9.912 1.00 0.00 O ATOM 500 CB THR A 34 -19.555 -8.534 -8.315 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.097 -9.627 -7.589 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.914 -8.744 -9.796 1.00 0.00 C ATOM 0 H THR A 34 -18.346 -7.732 -6.097 1.00 0.00 H new ATOM 0 HA THR A 34 -17.765 -9.536 -8.131 1.00 0.00 H new ATOM 0 HB THR A 34 -19.953 -7.552 -8.060 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.976 -9.474 -6.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.998 -8.745 -9.911 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.487 -7.937 -10.392 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.512 -9.698 -10.136 1.00 0.00 H new ATOM 510 N VAL A 35 -17.444 -6.270 -8.502 1.00 0.00 N ATOM 511 CA VAL A 35 -16.906 -5.153 -9.214 1.00 0.00 C ATOM 512 C VAL A 35 -15.419 -5.164 -9.124 1.00 0.00 C ATOM 513 O VAL A 35 -14.713 -4.911 -10.099 1.00 0.00 O ATOM 514 CB VAL A 35 -17.599 -3.868 -8.869 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.894 -2.611 -9.405 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.949 -3.873 -9.606 1.00 0.00 C ATOM 0 H VAL A 35 -17.870 -5.997 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.122 -5.245 -10.278 1.00 0.00 H new ATOM 0 HB VAL A 35 -17.643 -3.824 -7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -17.458 -1.725 -9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.888 -2.554 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.836 -2.662 -10.492 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -19.489 -2.953 -9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.777 -3.941 -10.680 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -19.539 -4.729 -9.278 1.00 0.00 H new ATOM 526 N MET A 36 -14.841 -5.413 -7.935 1.00 0.00 N ATOM 527 CA MET A 36 -13.445 -5.576 -7.673 1.00 0.00 C ATOM 528 C MET A 36 -12.780 -6.488 -8.646 1.00 0.00 C ATOM 529 O MET A 36 -11.750 -6.227 -9.265 1.00 0.00 O ATOM 530 CB MET A 36 -13.267 -6.172 -6.266 1.00 0.00 C ATOM 531 CG MET A 36 -13.333 -5.118 -5.159 1.00 0.00 C ATOM 532 SD MET A 36 -12.940 -5.766 -3.507 1.00 0.00 S ATOM 533 CE MET A 36 -13.558 -4.376 -2.515 1.00 0.00 C ATOM 0 H MET A 36 -15.399 -5.508 -7.087 1.00 0.00 H new ATOM 0 HA MET A 36 -12.984 -4.592 -7.760 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.040 -6.921 -6.094 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.308 -6.687 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.640 -4.311 -5.397 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.333 -4.685 -5.141 1.00 0.00 H new ATOM 0 HE1 MET A 36 -13.619 -4.675 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.878 -3.529 -2.611 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.548 -4.088 -2.869 1.00 0.00 H new ATOM 543 N ARG A 37 -13.403 -7.674 -8.770 1.00 0.00 N ATOM 544 CA ARG A 37 -12.987 -8.661 -9.717 1.00 0.00 C ATOM 545 C ARG A 37 -12.900 -8.205 -11.133 1.00 0.00 C ATOM 546 O ARG A 37 -12.003 -8.539 -11.905 1.00 0.00 O ATOM 547 CB ARG A 37 -13.953 -9.853 -9.608 1.00 0.00 C ATOM 548 CG ARG A 37 -13.780 -11.171 -10.366 1.00 0.00 C ATOM 549 CD ARG A 37 -12.662 -12.061 -9.820 1.00 0.00 C ATOM 550 NE ARG A 37 -13.164 -12.631 -8.537 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.435 -13.569 -7.865 1.00 0.00 C ATOM 552 NH1 ARG A 37 -11.252 -13.980 -8.409 1.00 0.00 N ATOM 553 NH2 ARG A 37 -12.912 -14.141 -6.722 1.00 0.00 N ATOM 0 H ARG A 37 -14.206 -7.951 -8.205 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.962 -8.925 -9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.995 -10.114 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.937 -9.472 -9.882 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.719 -11.723 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.576 -10.951 -11.414 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.417 -12.853 -10.527 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.751 -11.485 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.058 -12.318 -8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.934 -13.587 -9.295 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.686 -14.680 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.825 -13.869 -6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.355 -14.841 -6.231 1.00 0.00 H new ATOM 567 N SER A 38 -13.929 -7.470 -11.593 1.00 0.00 N ATOM 568 CA SER A 38 -13.994 -7.023 -12.949 1.00 0.00 C ATOM 569 C SER A 38 -12.957 -6.047 -13.387 1.00 0.00 C ATOM 570 O SER A 38 -12.527 -5.961 -14.537 1.00 0.00 O ATOM 571 CB SER A 38 -15.357 -6.493 -13.424 1.00 0.00 C ATOM 572 OG SER A 38 -16.336 -7.467 -13.092 1.00 0.00 O ATOM 0 H SER A 38 -14.722 -7.184 -11.019 1.00 0.00 H new ATOM 0 HA SER A 38 -13.792 -7.980 -13.431 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.586 -5.541 -12.945 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.345 -6.314 -14.499 1.00 0.00 H new ATOM 0 HG SER A 38 -16.421 -7.527 -12.117 1.00 0.00 H new ATOM 578 N LEU A 39 -12.370 -5.418 -12.352 1.00 0.00 N ATOM 579 CA LEU A 39 -11.206 -4.606 -12.525 1.00 0.00 C ATOM 580 C LEU A 39 -9.925 -5.325 -12.274 1.00 0.00 C ATOM 581 O LEU A 39 -8.863 -4.705 -12.250 1.00 0.00 O ATOM 582 CB LEU A 39 -11.318 -3.434 -11.536 1.00 0.00 C ATOM 583 CG LEU A 39 -12.571 -2.577 -11.780 1.00 0.00 C ATOM 584 CD1 LEU A 39 -12.745 -1.542 -10.655 1.00 0.00 C ATOM 585 CD2 LEU A 39 -12.619 -1.898 -13.159 1.00 0.00 C ATOM 0 H LEU A 39 -12.705 -5.473 -11.390 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.175 -4.284 -13.566 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.340 -3.823 -10.518 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.431 -2.807 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.410 -3.273 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.637 -0.945 -10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.850 -2.057 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.872 -0.890 -10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -13.536 -1.315 -13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.758 -1.239 -13.270 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.598 -2.658 -13.940 1.00 0.00 H new ATOM 597 N GLY A 40 -9.968 -6.669 -12.286 1.00 0.00 N ATOM 598 CA GLY A 40 -8.782 -7.456 -12.146 1.00 0.00 C ATOM 599 C GLY A 40 -8.167 -7.558 -10.793 1.00 0.00 C ATOM 600 O GLY A 40 -6.952 -7.598 -10.606 1.00 0.00 O ATOM 0 H GLY A 40 -10.825 -7.212 -12.393 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.009 -8.466 -12.487 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.031 -7.052 -12.825 1.00 0.00 H new ATOM 604 N GLN A 41 -9.008 -7.820 -9.777 1.00 0.00 N ATOM 605 CA GLN A 41 -8.564 -8.263 -8.492 1.00 0.00 C ATOM 606 C GLN A 41 -9.049 -9.628 -8.144 1.00 0.00 C ATOM 607 O GLN A 41 -9.901 -10.163 -8.851 1.00 0.00 O ATOM 608 CB GLN A 41 -8.863 -7.333 -7.304 1.00 0.00 C ATOM 609 CG GLN A 41 -8.399 -5.886 -7.478 1.00 0.00 C ATOM 610 CD GLN A 41 -8.643 -4.859 -6.381 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.779 -4.707 -5.935 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.548 -4.092 -6.128 1.00 0.00 N ATOM 0 H GLN A 41 -10.021 -7.722 -9.850 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.483 -8.261 -8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.938 -7.334 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.390 -7.745 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.325 -5.912 -7.661 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.867 -5.505 -8.385 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.654 -4.321 -6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.622 -3.288 -5.505 1.00 0.00 H new ATOM 621 N ASN A 42 -8.499 -10.253 -7.087 1.00 0.00 N ATOM 622 CA ASN A 42 -8.941 -11.554 -6.693 1.00 0.00 C ATOM 623 C ASN A 42 -9.496 -11.583 -5.310 1.00 0.00 C ATOM 624 O ASN A 42 -8.816 -12.121 -4.437 1.00 0.00 O ATOM 625 CB ASN A 42 -7.762 -12.525 -6.879 1.00 0.00 C ATOM 626 CG ASN A 42 -7.273 -12.569 -8.319 1.00 0.00 C ATOM 627 OD1 ASN A 42 -6.677 -11.626 -8.838 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.569 -13.709 -8.999 1.00 0.00 N ATOM 0 H ASN A 42 -7.755 -9.861 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.775 -11.862 -7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.941 -12.225 -6.228 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.065 -13.525 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.295 -13.805 -9.977 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.065 -14.468 -8.531 1.00 0.00 H new ATOM 635 N PRO A 43 -10.677 -11.152 -4.978 1.00 0.00 N ATOM 636 CA PRO A 43 -11.180 -11.056 -3.639 1.00 0.00 C ATOM 637 C PRO A 43 -11.668 -12.387 -3.181 1.00 0.00 C ATOM 638 O PRO A 43 -11.780 -13.298 -3.999 1.00 0.00 O ATOM 639 CB PRO A 43 -12.275 -9.993 -3.703 1.00 0.00 C ATOM 640 CG PRO A 43 -12.874 -10.267 -5.092 1.00 0.00 C ATOM 641 CD PRO A 43 -11.623 -10.584 -5.926 1.00 0.00 C ATOM 0 HA PRO A 43 -10.423 -10.767 -2.910 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.010 -10.111 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.874 -8.983 -3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.575 -11.101 -5.076 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.415 -9.404 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.850 -11.287 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -11.222 -9.685 -6.394 1.00 0.00 H new ATOM 649 N THR A 44 -12.001 -12.528 -1.886 1.00 0.00 N ATOM 650 CA THR A 44 -12.552 -13.694 -1.268 1.00 0.00 C ATOM 651 C THR A 44 -13.429 -13.103 -0.218 1.00 0.00 C ATOM 652 O THR A 44 -13.214 -12.021 0.326 1.00 0.00 O ATOM 653 CB THR A 44 -11.522 -14.553 -0.598 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.530 -13.778 0.060 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.829 -15.363 -1.706 1.00 0.00 C ATOM 0 H THR A 44 -11.875 -11.766 -1.220 1.00 0.00 H new ATOM 0 HA THR A 44 -13.042 -14.341 -1.996 1.00 0.00 H new ATOM 0 HB THR A 44 -12.011 -15.180 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.120 -14.309 0.774 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.068 -16.006 -1.265 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.566 -15.976 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.361 -14.682 -2.416 1.00 0.00 H new ATOM 663 N GLU A 45 -14.431 -13.892 0.209 1.00 0.00 N ATOM 664 CA GLU A 45 -15.330 -13.400 1.206 1.00 0.00 C ATOM 665 C GLU A 45 -14.711 -13.247 2.553 1.00 0.00 C ATOM 666 O GLU A 45 -15.159 -12.392 3.315 1.00 0.00 O ATOM 667 CB GLU A 45 -16.524 -14.365 1.301 1.00 0.00 C ATOM 668 CG GLU A 45 -17.703 -13.794 2.091 1.00 0.00 C ATOM 669 CD GLU A 45 -19.084 -14.060 1.508 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.340 -13.410 0.460 1.00 0.00 O ATOM 671 OE2 GLU A 45 -19.976 -14.651 2.174 1.00 0.00 O ATOM 0 H GLU A 45 -14.616 -14.839 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.638 -12.401 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.858 -14.618 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.196 -15.292 1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.671 -14.203 3.101 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.568 -12.716 2.179 1.00 0.00 H new ATOM 678 N ALA A 46 -13.619 -13.962 2.877 1.00 0.00 N ATOM 679 CA ALA A 46 -13.010 -13.982 4.170 1.00 0.00 C ATOM 680 C ALA A 46 -12.178 -12.749 4.258 1.00 0.00 C ATOM 681 O ALA A 46 -12.223 -12.136 5.323 1.00 0.00 O ATOM 682 CB ALA A 46 -12.047 -15.164 4.379 1.00 0.00 C ATOM 0 H ALA A 46 -13.137 -14.556 2.202 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.804 -14.059 4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.622 -15.114 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.591 -16.101 4.261 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.245 -15.114 3.643 1.00 0.00 H new ATOM 688 N GLU A 47 -11.388 -12.348 3.246 1.00 0.00 N ATOM 689 CA GLU A 47 -10.576 -11.172 3.307 1.00 0.00 C ATOM 690 C GLU A 47 -11.365 -9.920 3.139 1.00 0.00 C ATOM 691 O GLU A 47 -10.973 -8.820 3.526 1.00 0.00 O ATOM 692 CB GLU A 47 -9.590 -11.232 2.128 1.00 0.00 C ATOM 693 CG GLU A 47 -8.279 -11.929 2.500 1.00 0.00 C ATOM 694 CD GLU A 47 -8.310 -13.369 2.991 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.772 -14.174 2.139 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.806 -13.736 4.086 1.00 0.00 O ATOM 0 H GLU A 47 -11.312 -12.854 2.363 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.093 -11.150 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.055 -11.759 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.376 -10.220 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.632 -11.896 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.799 -11.330 3.274 1.00 0.00 H new ATOM 703 N LEU A 48 -12.612 -10.050 2.653 1.00 0.00 N ATOM 704 CA LEU A 48 -13.554 -8.976 2.577 1.00 0.00 C ATOM 705 C LEU A 48 -14.324 -8.813 3.842 1.00 0.00 C ATOM 706 O LEU A 48 -14.488 -7.717 4.375 1.00 0.00 O ATOM 707 CB LEU A 48 -14.590 -9.227 1.469 1.00 0.00 C ATOM 708 CG LEU A 48 -14.172 -8.842 0.040 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.250 -9.437 -0.881 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.003 -7.336 -0.221 1.00 0.00 C ATOM 0 H LEU A 48 -12.978 -10.934 2.300 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.963 -8.083 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.847 -10.286 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.497 -8.677 1.719 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.174 -9.238 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.014 -9.200 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.280 -10.519 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.221 -9.015 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.707 -7.177 -1.258 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.947 -6.826 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.235 -6.936 0.441 1.00 0.00 H new ATOM 722 N GLN A 49 -14.792 -9.874 4.525 1.00 0.00 N ATOM 723 CA GLN A 49 -15.576 -9.827 5.719 1.00 0.00 C ATOM 724 C GLN A 49 -14.857 -9.348 6.933 1.00 0.00 C ATOM 725 O GLN A 49 -15.465 -8.916 7.911 1.00 0.00 O ATOM 726 CB GLN A 49 -16.075 -11.257 5.990 1.00 0.00 C ATOM 727 CG GLN A 49 -17.254 -11.344 6.962 1.00 0.00 C ATOM 728 CD GLN A 49 -17.796 -12.756 7.124 1.00 0.00 C ATOM 729 OE1 GLN A 49 -18.906 -13.127 6.745 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.008 -13.591 7.853 1.00 0.00 N ATOM 0 H GLN A 49 -14.609 -10.830 4.220 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.373 -9.104 5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.366 -11.712 5.043 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.249 -11.847 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -16.941 -10.968 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.054 -10.693 6.611 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.088 -13.280 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.337 -14.528 8.087 1.00 0.00 H new ATOM 739 N ASP A 50 -13.520 -9.458 6.831 1.00 0.00 N ATOM 740 CA ASP A 50 -12.534 -9.029 7.773 1.00 0.00 C ATOM 741 C ASP A 50 -12.540 -7.549 7.950 1.00 0.00 C ATOM 742 O ASP A 50 -12.680 -7.070 9.074 1.00 0.00 O ATOM 743 CB ASP A 50 -11.170 -9.558 7.296 1.00 0.00 C ATOM 744 CG ASP A 50 -10.141 -9.411 8.407 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.385 -9.860 9.559 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.051 -8.849 8.116 1.00 0.00 O ATOM 0 H ASP A 50 -13.092 -9.888 6.011 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.758 -9.434 8.760 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.257 -10.605 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.845 -9.008 6.413 1.00 0.00 H new ATOM 751 N MET A 51 -12.379 -6.787 6.853 1.00 0.00 N ATOM 752 CA MET A 51 -12.203 -5.369 6.796 1.00 0.00 C ATOM 753 C MET A 51 -13.473 -4.631 7.042 1.00 0.00 C ATOM 754 O MET A 51 -13.578 -3.588 7.685 1.00 0.00 O ATOM 755 CB MET A 51 -11.760 -4.965 5.380 1.00 0.00 C ATOM 756 CG MET A 51 -10.350 -5.440 5.023 1.00 0.00 C ATOM 757 SD MET A 51 -9.753 -4.742 3.454 1.00 0.00 S ATOM 758 CE MET A 51 -11.020 -5.191 2.233 1.00 0.00 C ATOM 0 H MET A 51 -12.372 -7.204 5.922 1.00 0.00 H new ATOM 0 HA MET A 51 -11.468 -5.120 7.561 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.466 -5.373 4.657 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.803 -3.880 5.290 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.664 -5.164 5.824 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.343 -6.528 4.958 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.554 -5.725 1.405 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.767 -5.831 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.500 -4.287 1.858 1.00 0.00 H new ATOM 768 N ILE A 52 -14.579 -5.298 6.665 1.00 0.00 N ATOM 769 CA ILE A 52 -15.907 -4.946 7.060 1.00 0.00 C ATOM 770 C ILE A 52 -16.183 -5.063 8.520 1.00 0.00 C ATOM 771 O ILE A 52 -16.724 -4.175 9.177 1.00 0.00 O ATOM 772 CB ILE A 52 -16.967 -5.733 6.349 1.00 0.00 C ATOM 773 CG1 ILE A 52 -16.824 -5.611 4.823 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.439 -5.503 6.731 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.585 -6.676 4.035 1.00 0.00 C ATOM 0 H ILE A 52 -14.546 -6.118 6.059 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.953 -3.895 6.776 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.757 -6.740 6.710 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.175 -4.626 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.767 -5.669 4.563 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.077 -6.148 6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.582 -5.738 7.786 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.703 -4.461 6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.431 -6.518 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.219 -7.665 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.649 -6.606 4.263 1.00 0.00 H new ATOM 787 N ASN A 53 -15.785 -6.191 9.134 1.00 0.00 N ATOM 788 CA ASN A 53 -15.888 -6.469 10.533 1.00 0.00 C ATOM 789 C ASN A 53 -15.226 -5.397 11.327 1.00 0.00 C ATOM 790 O ASN A 53 -15.759 -4.997 12.361 1.00 0.00 O ATOM 791 CB ASN A 53 -15.386 -7.897 10.805 1.00 0.00 C ATOM 792 CG ASN A 53 -15.624 -8.373 12.232 1.00 0.00 C ATOM 793 OD1 ASN A 53 -14.635 -8.581 12.932 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.885 -8.560 12.706 1.00 0.00 N ATOM 0 H ASN A 53 -15.362 -6.962 8.616 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.927 -6.451 10.863 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.880 -8.583 10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.318 -7.944 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.028 -8.880 13.664 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.688 -8.380 12.104 1.00 0.00 H new ATOM 801 N GLU A 54 -14.059 -4.843 10.955 1.00 0.00 N ATOM 802 CA GLU A 54 -13.398 -3.788 11.659 1.00 0.00 C ATOM 803 C GLU A 54 -14.122 -2.494 11.807 1.00 0.00 C ATOM 804 O GLU A 54 -14.225 -1.926 12.893 1.00 0.00 O ATOM 805 CB GLU A 54 -12.187 -3.387 10.799 1.00 0.00 C ATOM 806 CG GLU A 54 -11.243 -2.386 11.469 1.00 0.00 C ATOM 807 CD GLU A 54 -10.202 -1.773 10.543 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.843 -2.374 9.495 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.683 -0.680 10.896 1.00 0.00 O ATOM 0 H GLU A 54 -13.552 -5.145 10.123 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.230 -4.198 12.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.624 -4.285 10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.546 -2.959 9.863 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.837 -1.584 11.906 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.729 -2.886 12.290 1.00 0.00 H new ATOM 816 N VAL A 55 -14.664 -2.045 10.661 1.00 0.00 N ATOM 817 CA VAL A 55 -15.399 -0.823 10.554 1.00 0.00 C ATOM 818 C VAL A 55 -16.801 -0.957 11.041 1.00 0.00 C ATOM 819 O VAL A 55 -17.436 0.085 11.198 1.00 0.00 O ATOM 820 CB VAL A 55 -15.188 -0.284 9.170 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.708 0.028 8.895 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.893 -1.232 8.185 1.00 0.00 C ATOM 0 H VAL A 55 -14.588 -2.550 9.778 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.025 -0.058 11.235 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.649 0.695 9.039 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.600 0.416 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.354 0.773 9.608 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.119 -0.883 8.999 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.757 -0.866 7.167 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.465 -2.231 8.272 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.957 -1.272 8.417 1.00 0.00 H new ATOM 832 N ASP A 56 -17.323 -2.158 11.346 1.00 0.00 N ATOM 833 CA ASP A 56 -18.656 -2.416 11.795 1.00 0.00 C ATOM 834 C ASP A 56 -18.669 -2.391 13.285 1.00 0.00 C ATOM 835 O ASP A 56 -18.665 -3.424 13.953 1.00 0.00 O ATOM 836 CB ASP A 56 -19.177 -3.707 11.141 1.00 0.00 C ATOM 837 CG ASP A 56 -20.624 -4.094 11.414 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.455 -3.199 11.106 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.913 -5.156 12.028 1.00 0.00 O ATOM 0 H ASP A 56 -16.771 -3.012 11.273 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.359 -1.644 11.482 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.051 -3.613 10.062 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.541 -4.530 11.466 1.00 0.00 H new ATOM 844 N ALA A 57 -18.562 -1.215 13.928 1.00 0.00 N ATOM 845 CA ALA A 57 -18.600 -1.085 15.351 1.00 0.00 C ATOM 846 C ALA A 57 -20.007 -1.109 15.841 1.00 0.00 C ATOM 847 O ALA A 57 -20.310 -1.512 16.963 1.00 0.00 O ATOM 848 CB ALA A 57 -17.848 0.192 15.761 1.00 0.00 C ATOM 0 H ALA A 57 -18.445 -0.326 13.442 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.098 -1.932 15.819 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.873 0.297 16.846 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.812 0.128 15.427 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.324 1.058 15.302 1.00 0.00 H new ATOM 854 N ASP A 58 -20.956 -0.628 15.017 1.00 0.00 N ATOM 855 CA ASP A 58 -22.381 -0.530 15.063 1.00 0.00 C ATOM 856 C ASP A 58 -23.021 -1.875 15.035 1.00 0.00 C ATOM 857 O ASP A 58 -24.004 -2.003 15.763 1.00 0.00 O ATOM 858 CB ASP A 58 -22.912 0.423 13.979 1.00 0.00 C ATOM 859 CG ASP A 58 -22.686 -0.070 12.556 1.00 0.00 C ATOM 860 OD1 ASP A 58 -21.507 -0.441 12.311 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.550 -0.052 11.640 1.00 0.00 O ATOM 0 H ASP A 58 -20.641 -0.225 14.134 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.662 -0.086 16.018 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.980 0.575 14.135 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.432 1.394 14.097 1.00 0.00 H new ATOM 866 N GLY A 59 -22.452 -2.912 14.392 1.00 0.00 N ATOM 867 CA GLY A 59 -22.771 -4.298 14.541 1.00 0.00 C ATOM 868 C GLY A 59 -23.996 -4.683 13.786 1.00 0.00 C ATOM 869 O GLY A 59 -24.834 -5.325 14.417 1.00 0.00 O ATOM 0 H GLY A 59 -21.707 -2.766 13.711 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.931 -4.901 14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.913 -4.524 15.598 1.00 0.00 H new ATOM 873 N ASN A 60 -24.197 -4.374 12.492 1.00 0.00 N ATOM 874 CA ASN A 60 -25.220 -4.913 11.651 1.00 0.00 C ATOM 875 C ASN A 60 -24.678 -5.962 10.743 1.00 0.00 C ATOM 876 O ASN A 60 -25.400 -6.911 10.444 1.00 0.00 O ATOM 877 CB ASN A 60 -26.083 -3.814 11.008 1.00 0.00 C ATOM 878 CG ASN A 60 -25.354 -2.848 10.084 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.155 -2.598 10.195 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.116 -2.139 9.208 1.00 0.00 N ATOM 0 H ASN A 60 -23.605 -3.703 12.002 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.942 -5.453 12.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.883 -4.292 10.443 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.555 -3.238 11.804 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.693 -1.402 8.645 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.111 -2.345 9.115 1.00 0.00 H new ATOM 887 N GLY A 61 -23.455 -5.779 10.212 1.00 0.00 N ATOM 888 CA GLY A 61 -22.867 -6.659 9.251 1.00 0.00 C ATOM 889 C GLY A 61 -22.548 -6.091 7.910 1.00 0.00 C ATOM 890 O GLY A 61 -21.708 -6.549 7.137 1.00 0.00 O ATOM 0 H GLY A 61 -22.856 -4.992 10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.946 -7.057 9.677 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.542 -7.503 9.108 1.00 0.00 H new ATOM 894 N THR A 62 -23.298 -5.042 7.525 1.00 0.00 N ATOM 895 CA THR A 62 -23.079 -4.293 6.327 1.00 0.00 C ATOM 896 C THR A 62 -22.497 -2.941 6.559 1.00 0.00 C ATOM 897 O THR A 62 -22.463 -2.399 7.663 1.00 0.00 O ATOM 898 CB THR A 62 -24.383 -4.211 5.591 1.00 0.00 C ATOM 899 OG1 THR A 62 -25.495 -3.666 6.287 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.729 -5.645 5.156 1.00 0.00 C ATOM 0 H THR A 62 -24.089 -4.702 8.071 1.00 0.00 H new ATOM 0 HA THR A 62 -22.329 -4.813 5.731 1.00 0.00 H new ATOM 0 HB THR A 62 -24.222 -3.506 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 62 -26.280 -3.666 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.674 -5.642 4.613 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.940 -6.029 4.509 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.818 -6.281 6.037 1.00 0.00 H new ATOM 908 N ILE A 63 -21.995 -2.352 5.459 1.00 0.00 N ATOM 909 CA ILE A 63 -21.397 -1.054 5.427 1.00 0.00 C ATOM 910 C ILE A 63 -22.283 -0.074 4.738 1.00 0.00 C ATOM 911 O ILE A 63 -22.843 -0.348 3.677 1.00 0.00 O ATOM 912 CB ILE A 63 -20.056 -1.072 4.756 1.00 0.00 C ATOM 913 CG1 ILE A 63 -20.004 -1.706 3.356 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.151 -1.897 5.686 1.00 0.00 C ATOM 915 CD1 ILE A 63 -18.855 -1.205 2.484 1.00 0.00 C ATOM 0 H ILE A 63 -22.007 -2.805 4.545 1.00 0.00 H new ATOM 0 HA ILE A 63 -21.258 -0.748 6.464 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.755 -0.036 4.599 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -19.920 -2.788 3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -20.946 -1.508 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.149 -1.955 5.261 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.103 -1.419 6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -19.559 -2.902 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -18.891 -1.702 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.948 -0.128 2.344 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.905 -1.427 2.971 1.00 0.00 H new ATOM 927 N ASP A 64 -22.520 1.093 5.363 1.00 0.00 N ATOM 928 CA ASP A 64 -23.123 2.188 4.668 1.00 0.00 C ATOM 929 C ASP A 64 -22.063 3.167 4.298 1.00 0.00 C ATOM 930 O ASP A 64 -20.872 2.865 4.353 1.00 0.00 O ATOM 931 CB ASP A 64 -24.194 2.913 5.500 1.00 0.00 C ATOM 932 CG ASP A 64 -23.689 3.521 6.801 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.085 2.857 7.685 1.00 0.00 O ATOM 934 OD2 ASP A 64 -24.094 4.703 6.962 1.00 0.00 O ATOM 0 H ASP A 64 -22.297 1.278 6.341 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.617 1.777 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.632 3.704 4.892 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.993 2.209 5.731 1.00 0.00 H new ATOM 939 N PHE A 65 -22.362 4.377 3.791 1.00 0.00 N ATOM 940 CA PHE A 65 -21.437 5.336 3.271 1.00 0.00 C ATOM 941 C PHE A 65 -20.317 5.815 4.129 1.00 0.00 C ATOM 942 O PHE A 65 -19.202 5.557 3.678 1.00 0.00 O ATOM 943 CB PHE A 65 -22.220 6.528 2.696 1.00 0.00 C ATOM 944 CG PHE A 65 -21.520 7.256 1.600 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.542 8.182 1.877 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.747 6.981 0.272 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.900 8.885 0.885 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.060 7.626 -0.729 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.142 8.608 -0.440 1.00 0.00 C ATOM 0 H PHE A 65 -23.325 4.709 3.742 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.897 4.766 2.515 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.179 6.170 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.433 7.229 3.503 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.270 8.363 2.906 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.485 6.238 0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.199 9.663 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.244 7.357 -1.759 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.629 9.143 -1.226 1.00 0.00 H new ATOM 959 N PRO A 66 -20.286 6.458 5.258 1.00 0.00 N ATOM 960 CA PRO A 66 -19.139 6.881 6.008 1.00 0.00 C ATOM 961 C PRO A 66 -18.293 5.713 6.381 1.00 0.00 C ATOM 962 O PRO A 66 -17.076 5.824 6.240 1.00 0.00 O ATOM 963 CB PRO A 66 -19.712 7.655 7.194 1.00 0.00 C ATOM 964 CG PRO A 66 -21.066 7.000 7.510 1.00 0.00 C ATOM 965 CD PRO A 66 -21.478 6.637 6.074 1.00 0.00 C ATOM 0 HA PRO A 66 -18.460 7.521 5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.043 7.604 8.053 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.836 8.710 6.949 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.974 6.128 8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.765 7.683 7.992 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.072 5.723 6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.104 7.424 5.654 1.00 0.00 H new ATOM 973 N GLU A 67 -18.862 4.569 6.800 1.00 0.00 N ATOM 974 CA GLU A 67 -18.246 3.296 7.009 1.00 0.00 C ATOM 975 C GLU A 67 -17.527 2.677 5.860 1.00 0.00 C ATOM 976 O GLU A 67 -16.383 2.254 6.017 1.00 0.00 O ATOM 977 CB GLU A 67 -19.305 2.400 7.672 1.00 0.00 C ATOM 978 CG GLU A 67 -18.742 1.290 8.562 1.00 0.00 C ATOM 979 CD GLU A 67 -19.851 0.386 9.080 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.814 0.933 9.683 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.961 -0.858 8.911 1.00 0.00 O ATOM 0 H GLU A 67 -19.859 4.536 7.014 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.387 3.441 7.664 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.966 3.026 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.916 1.946 6.892 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.020 0.699 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.206 1.731 9.402 1.00 0.00 H new ATOM 988 N PHE A 68 -18.133 2.697 4.659 1.00 0.00 N ATOM 989 CA PHE A 68 -17.425 2.612 3.419 1.00 0.00 C ATOM 990 C PHE A 68 -16.307 3.564 3.169 1.00 0.00 C ATOM 991 O PHE A 68 -15.228 3.118 2.780 1.00 0.00 O ATOM 992 CB PHE A 68 -18.449 2.686 2.274 1.00 0.00 C ATOM 993 CG PHE A 68 -17.880 2.752 0.899 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.353 1.620 0.324 1.00 0.00 C ATOM 995 CD2 PHE A 68 -18.085 3.905 0.178 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.874 1.734 -0.960 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.616 4.037 -1.108 1.00 0.00 C ATOM 998 CZ PHE A 68 -17.049 2.909 -1.653 1.00 0.00 C ATOM 0 H PHE A 68 -19.144 2.774 4.547 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.901 1.658 3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.099 1.813 2.336 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -19.077 3.563 2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.317 0.682 0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.625 4.723 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.362 0.903 -1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.688 4.966 -1.654 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.723 2.948 -2.682 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.475 4.884 3.360 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.389 5.794 3.169 1.00 0.00 C ATOM 1010 C LEU A 69 -14.239 5.549 4.084 1.00 0.00 C ATOM 1011 O LEU A 69 -13.141 5.423 3.546 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.997 7.207 3.191 1.00 0.00 C ATOM 1013 CG LEU A 69 -15.157 8.276 2.471 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.134 9.446 2.270 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -13.998 8.767 3.354 1.00 0.00 C ATOM 0 H LEU A 69 -17.353 5.318 3.644 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.904 5.645 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.985 7.170 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -16.138 7.512 4.228 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.725 7.886 1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.623 10.263 1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -16.980 9.115 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.493 9.791 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.425 9.521 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.397 9.201 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.349 7.927 3.603 1.00 0.00 H new ATOM 1027 N THR A 70 -14.426 5.172 5.362 1.00 0.00 N ATOM 1028 CA THR A 70 -13.495 4.603 6.286 1.00 0.00 C ATOM 1029 C THR A 70 -12.832 3.346 5.838 1.00 0.00 C ATOM 1030 O THR A 70 -11.621 3.247 6.029 1.00 0.00 O ATOM 1031 CB THR A 70 -14.114 4.400 7.637 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.613 5.655 8.074 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.019 4.058 8.661 1.00 0.00 C ATOM 0 H THR A 70 -15.343 5.281 5.796 1.00 0.00 H new ATOM 0 HA THR A 70 -12.701 5.348 6.345 1.00 0.00 H new ATOM 0 HB THR A 70 -14.871 3.619 7.565 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.491 5.817 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.471 3.911 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.508 3.145 8.356 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.300 4.876 8.712 1.00 0.00 H new ATOM 1041 N MET A 71 -13.554 2.474 5.111 1.00 0.00 N ATOM 1042 CA MET A 71 -13.091 1.208 4.634 1.00 0.00 C ATOM 1043 C MET A 71 -12.266 1.421 3.411 1.00 0.00 C ATOM 1044 O MET A 71 -11.241 0.752 3.293 1.00 0.00 O ATOM 1045 CB MET A 71 -14.214 0.233 4.244 1.00 0.00 C ATOM 1046 CG MET A 71 -13.720 -1.184 3.944 1.00 0.00 C ATOM 1047 SD MET A 71 -15.133 -2.275 3.602 1.00 0.00 S ATOM 1048 CE MET A 71 -14.200 -3.567 2.731 1.00 0.00 C ATOM 0 H MET A 71 -14.519 2.665 4.841 1.00 0.00 H new ATOM 0 HA MET A 71 -12.532 0.768 5.460 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.944 0.191 5.053 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.732 0.621 3.367 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.046 -1.169 3.088 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.151 -1.567 4.791 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.765 -4.499 2.749 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.035 -3.262 1.698 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.239 -3.716 3.223 1.00 0.00 H new ATOM 1058 N MET A 72 -12.616 2.372 2.527 1.00 0.00 N ATOM 1059 CA MET A 72 -11.814 2.608 1.367 1.00 0.00 C ATOM 1060 C MET A 72 -10.562 3.348 1.694 1.00 0.00 C ATOM 1061 O MET A 72 -9.500 3.258 1.079 1.00 0.00 O ATOM 1062 CB MET A 72 -12.553 3.506 0.362 1.00 0.00 C ATOM 1063 CG MET A 72 -13.724 2.725 -0.238 1.00 0.00 C ATOM 1064 SD MET A 72 -13.321 1.267 -1.246 1.00 0.00 S ATOM 1065 CE MET A 72 -13.786 -0.064 -0.100 1.00 0.00 C ATOM 0 H MET A 72 -13.439 2.968 2.612 1.00 0.00 H new ATOM 0 HA MET A 72 -11.596 1.620 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.916 4.406 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.872 3.828 -0.426 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.369 2.403 0.579 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.307 3.410 -0.853 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.304 -0.993 -0.406 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.465 0.196 0.909 1.00 0.00 H new ATOM 0 HE3 MET A 72 -14.868 -0.195 -0.114 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.611 4.016 2.860 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.469 4.730 3.343 1.00 0.00 C ATOM 1077 C ALA A 73 -8.406 3.813 3.842 1.00 0.00 C ATOM 1078 O ALA A 73 -7.215 4.025 3.616 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.729 5.714 4.496 1.00 0.00 C ATOM 0 H ALA A 73 -11.432 4.062 3.464 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.169 5.292 2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.794 6.197 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.445 6.470 4.175 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.132 5.173 5.352 1.00 0.00 H new ATOM 1234 N GLU A 83 3.359 -7.065 -5.703 1.00 0.00 N ATOM 1235 CA GLU A 83 2.805 -7.079 -7.021 1.00 0.00 C ATOM 1236 C GLU A 83 2.251 -5.776 -7.484 1.00 0.00 C ATOM 1237 O GLU A 83 2.441 -5.428 -8.648 1.00 0.00 O ATOM 1238 CB GLU A 83 1.805 -8.238 -7.171 1.00 0.00 C ATOM 1239 CG GLU A 83 2.179 -9.633 -6.666 1.00 0.00 C ATOM 1240 CD GLU A 83 1.108 -10.687 -6.911 1.00 0.00 C ATOM 1241 OE1 GLU A 83 -0.060 -10.719 -6.438 1.00 0.00 O ATOM 1242 OE2 GLU A 83 1.480 -11.678 -7.594 1.00 0.00 O ATOM 0 HA GLU A 83 3.642 -7.252 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.887 -7.943 -6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.568 -8.328 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.103 -9.948 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.383 -9.579 -5.597 1.00 0.00 H new ATOM 1249 N GLU A 84 1.703 -4.957 -6.568 1.00 0.00 N ATOM 1250 CA GLU A 84 1.289 -3.608 -6.800 1.00 0.00 C ATOM 1251 C GLU A 84 2.416 -2.676 -7.086 1.00 0.00 C ATOM 1252 O GLU A 84 2.434 -1.950 -8.079 1.00 0.00 O ATOM 1253 CB GLU A 84 0.303 -3.109 -5.730 1.00 0.00 C ATOM 1254 CG GLU A 84 -1.058 -3.795 -5.859 1.00 0.00 C ATOM 1255 CD GLU A 84 -1.699 -3.350 -7.166 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -1.828 -2.137 -7.482 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -2.188 -4.275 -7.868 1.00 0.00 O ATOM 0 H GLU A 84 1.539 -5.256 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 84 0.723 -3.617 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.714 -3.298 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.178 -2.030 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.939 -4.878 -5.844 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.696 -3.533 -5.015 1.00 0.00 H new ATOM 1264 N ILE A 85 3.483 -2.710 -6.268 1.00 0.00 N ATOM 1265 CA ILE A 85 4.703 -2.001 -6.497 1.00 0.00 C ATOM 1266 C ILE A 85 5.397 -2.249 -7.792 1.00 0.00 C ATOM 1267 O ILE A 85 6.007 -1.353 -8.373 1.00 0.00 O ATOM 1268 CB ILE A 85 5.580 -1.889 -5.285 1.00 0.00 C ATOM 1269 CG1 ILE A 85 6.644 -2.996 -5.194 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.640 -1.859 -4.068 1.00 0.00 C ATOM 1271 CD1 ILE A 85 7.492 -3.028 -3.924 1.00 0.00 C ATOM 0 H ILE A 85 3.495 -3.257 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 85 4.361 -0.980 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 85 6.174 -0.976 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 85 6.143 -3.959 -5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.314 -2.896 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.230 -1.778 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.971 -1.002 -4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.052 -2.776 -4.040 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.203 -3.852 -3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.034 -2.087 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.845 -3.167 -3.058 1.00 0.00 H new ATOM 1283 N ARG A 86 5.429 -3.509 -8.262 1.00 0.00 N ATOM 1284 CA ARG A 86 6.036 -3.913 -9.491 1.00 0.00 C ATOM 1285 C ARG A 86 5.191 -3.438 -10.623 1.00 0.00 C ATOM 1286 O ARG A 86 5.648 -2.641 -11.441 1.00 0.00 O ATOM 1287 CB ARG A 86 6.241 -5.437 -9.492 1.00 0.00 C ATOM 1288 CG ARG A 86 7.595 -5.929 -8.976 1.00 0.00 C ATOM 1289 CD ARG A 86 7.887 -7.420 -9.154 1.00 0.00 C ATOM 1290 NE ARG A 86 7.402 -8.106 -7.923 1.00 0.00 N ATOM 1291 CZ ARG A 86 6.375 -9.006 -7.930 1.00 0.00 C ATOM 1292 NH1 ARG A 86 5.641 -9.271 -9.050 1.00 0.00 N ATOM 1293 NH2 ARG A 86 6.143 -9.703 -6.779 1.00 0.00 N ATOM 0 H ARG A 86 5.008 -4.288 -7.756 1.00 0.00 H new ATOM 0 HA ARG A 86 7.023 -3.465 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.456 -5.890 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.108 -5.802 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.379 -5.364 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.663 -5.691 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.382 -7.810 -10.038 1.00 0.00 H new ATOM 0 HD3 ARG A 86 8.954 -7.590 -9.296 1.00 0.00 H new ATOM 0 HE ARG A 86 7.858 -7.894 -7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.852 -8.789 -9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.882 -9.951 -9.013 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.727 -9.541 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.386 -10.385 -6.740 1.00 0.00 H new ATOM 1307 N GLU A 87 3.914 -3.859 -10.667 1.00 0.00 N ATOM 1308 CA GLU A 87 3.134 -3.610 -11.839 1.00 0.00 C ATOM 1309 C GLU A 87 2.769 -2.180 -12.042 1.00 0.00 C ATOM 1310 O GLU A 87 2.723 -1.732 -13.187 1.00 0.00 O ATOM 1311 CB GLU A 87 1.934 -4.564 -11.966 1.00 0.00 C ATOM 1312 CG GLU A 87 2.399 -5.988 -12.277 1.00 0.00 C ATOM 1313 CD GLU A 87 1.414 -7.012 -12.821 1.00 0.00 C ATOM 1314 OE1 GLU A 87 1.016 -6.823 -14.002 1.00 0.00 O ATOM 1315 OE2 GLU A 87 0.926 -7.922 -12.099 1.00 0.00 O ATOM 0 H GLU A 87 3.434 -4.356 -9.917 1.00 0.00 H new ATOM 0 HA GLU A 87 3.799 -3.839 -12.672 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.360 -4.559 -11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.268 -4.214 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.216 -5.912 -12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 87 2.819 -6.399 -11.359 1.00 0.00 H new ATOM 1322 N ALA A 88 2.484 -1.418 -10.971 1.00 0.00 N ATOM 1323 CA ALA A 88 2.135 -0.047 -11.183 1.00 0.00 C ATOM 1324 C ALA A 88 3.260 0.754 -11.743 1.00 0.00 C ATOM 1325 O ALA A 88 3.061 1.711 -12.489 1.00 0.00 O ATOM 1326 CB ALA A 88 1.784 0.629 -9.847 1.00 0.00 C ATOM 0 H ALA A 88 2.493 -1.731 -10.000 1.00 0.00 H new ATOM 0 HA ALA A 88 1.297 -0.067 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.521 1.672 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.939 0.114 -9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 88 2.643 0.581 -9.178 1.00 0.00 H new ATOM 1332 N PHE A 89 4.516 0.327 -11.522 1.00 0.00 N ATOM 1333 CA PHE A 89 5.647 0.946 -12.141 1.00 0.00 C ATOM 1334 C PHE A 89 5.774 0.644 -13.594 1.00 0.00 C ATOM 1335 O PHE A 89 6.010 1.537 -14.407 1.00 0.00 O ATOM 1336 CB PHE A 89 6.969 0.587 -11.441 1.00 0.00 C ATOM 1337 CG PHE A 89 8.077 1.454 -11.933 1.00 0.00 C ATOM 1338 CD1 PHE A 89 8.790 1.288 -13.098 1.00 0.00 C ATOM 1339 CD2 PHE A 89 8.289 2.611 -11.221 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.721 2.203 -13.528 1.00 0.00 C ATOM 1341 CE2 PHE A 89 9.272 3.512 -11.558 1.00 0.00 C ATOM 1342 CZ PHE A 89 9.943 3.308 -12.740 1.00 0.00 C ATOM 0 H PHE A 89 4.750 -0.454 -10.909 1.00 0.00 H new ATOM 0 HA PHE A 89 5.458 2.014 -12.033 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.859 0.705 -10.363 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.211 -0.460 -11.624 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.612 0.407 -13.696 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.662 2.820 -10.367 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.260 2.059 -14.453 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.508 4.349 -10.917 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.669 4.040 -13.061 1.00 0.00 H new ATOM 1352 N ARG A 90 5.512 -0.640 -13.898 1.00 0.00 N ATOM 1353 CA ARG A 90 5.629 -1.217 -15.201 1.00 0.00 C ATOM 1354 C ARG A 90 4.608 -0.581 -16.081 1.00 0.00 C ATOM 1355 O ARG A 90 4.818 -0.206 -17.234 1.00 0.00 O ATOM 1356 CB ARG A 90 5.600 -2.755 -15.184 1.00 0.00 C ATOM 1357 CG ARG A 90 5.737 -3.495 -16.516 1.00 0.00 C ATOM 1358 CD ARG A 90 6.957 -3.130 -17.364 1.00 0.00 C ATOM 1359 NE ARG A 90 6.713 -2.120 -18.432 1.00 0.00 N ATOM 1360 CZ ARG A 90 7.429 -2.027 -19.590 1.00 0.00 C ATOM 1361 NH1 ARG A 90 8.243 -3.004 -20.087 1.00 0.00 N ATOM 1362 NH2 ARG A 90 7.161 -0.943 -20.375 1.00 0.00 N ATOM 0 H ARG A 90 5.202 -1.312 -13.196 1.00 0.00 H new ATOM 0 HA ARG A 90 6.614 -1.005 -15.617 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.402 -3.096 -14.530 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.661 -3.065 -14.726 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.768 -4.565 -16.313 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.840 -3.308 -17.106 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.738 -2.754 -16.703 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.341 -4.039 -17.827 1.00 0.00 H new ATOM 0 HE ARG A 90 5.957 -1.451 -18.287 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.350 -3.884 -19.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.744 -2.854 -20.962 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.460 -0.262 -20.082 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.662 -0.814 -21.254 1.00 0.00 H new ATOM 1376 N VAL A 91 3.363 -0.412 -15.602 1.00 0.00 N ATOM 1377 CA VAL A 91 2.238 0.176 -16.261 1.00 0.00 C ATOM 1378 C VAL A 91 2.439 1.575 -16.734 1.00 0.00 C ATOM 1379 O VAL A 91 2.145 1.951 -17.867 1.00 0.00 O ATOM 1380 CB VAL A 91 0.997 -0.032 -15.443 1.00 0.00 C ATOM 1381 CG1 VAL A 91 -0.196 0.909 -15.677 1.00 0.00 C ATOM 1382 CG2 VAL A 91 0.445 -1.437 -15.735 1.00 0.00 C ATOM 0 H VAL A 91 3.123 -0.718 -14.659 1.00 0.00 H new ATOM 0 HA VAL A 91 2.109 -0.356 -17.203 1.00 0.00 H new ATOM 0 HB VAL A 91 1.349 0.155 -14.429 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.014 0.632 -15.012 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.105 1.936 -15.472 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.526 0.827 -16.713 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.458 -1.603 -15.147 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.208 -1.522 -16.796 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.193 -2.184 -15.470 1.00 0.00 H new ATOM 1392 N PHE A 92 2.983 2.422 -15.842 1.00 0.00 N ATOM 1393 CA PHE A 92 3.329 3.778 -16.136 1.00 0.00 C ATOM 1394 C PHE A 92 4.530 3.970 -16.997 1.00 0.00 C ATOM 1395 O PHE A 92 4.510 4.811 -17.894 1.00 0.00 O ATOM 1396 CB PHE A 92 3.556 4.671 -14.905 1.00 0.00 C ATOM 1397 CG PHE A 92 2.338 4.576 -14.053 1.00 0.00 C ATOM 1398 CD1 PHE A 92 1.134 4.861 -14.652 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.377 4.497 -12.680 1.00 0.00 C ATOM 1400 CE1 PHE A 92 -0.050 4.870 -13.953 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.215 4.608 -11.953 1.00 0.00 C ATOM 1402 CZ PHE A 92 0.003 4.772 -12.583 1.00 0.00 C ATOM 0 H PHE A 92 3.190 2.152 -14.880 1.00 0.00 H new ATOM 0 HA PHE A 92 2.431 4.079 -16.676 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.437 4.345 -14.352 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.733 5.703 -15.207 1.00 0.00 H new ATOM 0 HD1 PHE A 92 1.117 5.086 -15.708 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.319 4.348 -12.174 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.996 4.952 -14.467 1.00 0.00 H new ATOM 0 HE2 PHE A 92 1.254 4.566 -10.875 1.00 0.00 H new ATOM 0 HZ PHE A 92 -0.906 4.824 -12.002 1.00 0.00 H new ATOM 1412 N ASP A 93 5.642 3.230 -16.844 1.00 0.00 N ATOM 1413 CA ASP A 93 6.773 3.265 -17.718 1.00 0.00 C ATOM 1414 C ASP A 93 6.414 2.709 -19.053 1.00 0.00 C ATOM 1415 O ASP A 93 6.390 1.498 -19.266 1.00 0.00 O ATOM 1416 CB ASP A 93 8.006 2.697 -16.996 1.00 0.00 C ATOM 1417 CG ASP A 93 9.330 2.887 -17.723 1.00 0.00 C ATOM 1418 OD1 ASP A 93 9.288 3.689 -18.694 1.00 0.00 O ATOM 1419 OD2 ASP A 93 10.311 2.211 -17.314 1.00 0.00 O ATOM 0 H ASP A 93 5.758 2.574 -16.072 1.00 0.00 H new ATOM 0 HA ASP A 93 7.078 4.282 -17.963 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.079 3.165 -16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.851 1.631 -16.831 1.00 0.00 H new ATOM 1424 N LYS A 94 6.337 3.537 -20.111 1.00 0.00 N ATOM 1425 CA LYS A 94 5.884 3.082 -21.388 1.00 0.00 C ATOM 1426 C LYS A 94 6.908 2.318 -22.156 1.00 0.00 C ATOM 1427 O LYS A 94 6.537 1.311 -22.758 1.00 0.00 O ATOM 1428 CB LYS A 94 5.342 4.357 -22.055 1.00 0.00 C ATOM 1429 CG LYS A 94 4.791 4.173 -23.470 1.00 0.00 C ATOM 1430 CD LYS A 94 3.513 3.337 -23.547 1.00 0.00 C ATOM 1431 CE LYS A 94 3.114 2.958 -24.975 1.00 0.00 C ATOM 1432 NZ LYS A 94 2.460 4.071 -25.698 1.00 0.00 N ATOM 0 H LYS A 94 6.590 4.525 -20.081 1.00 0.00 H new ATOM 0 HA LYS A 94 5.105 2.323 -21.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.552 4.768 -21.426 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.141 5.098 -22.088 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.595 5.155 -23.901 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.557 3.702 -24.086 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.648 2.427 -22.963 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.697 3.893 -23.086 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.001 2.644 -25.525 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.439 2.103 -24.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.060 3.718 -26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.699 4.467 -25.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.161 4.812 -25.902 1.00 0.00 H new ATOM 1446 N ASP A 95 8.132 2.870 -22.220 1.00 0.00 N ATOM 1447 CA ASP A 95 9.230 2.327 -22.959 1.00 0.00 C ATOM 1448 C ASP A 95 10.016 1.311 -22.203 1.00 0.00 C ATOM 1449 O ASP A 95 10.824 0.626 -22.828 1.00 0.00 O ATOM 1450 CB ASP A 95 10.202 3.363 -23.549 1.00 0.00 C ATOM 1451 CG ASP A 95 10.942 4.283 -22.589 1.00 0.00 C ATOM 1452 OD1 ASP A 95 10.589 4.282 -21.379 1.00 0.00 O ATOM 1453 OD2 ASP A 95 11.753 5.070 -23.146 1.00 0.00 O ATOM 0 H ASP A 95 8.368 3.735 -21.734 1.00 0.00 H new ATOM 0 HA ASP A 95 8.720 1.844 -23.792 1.00 0.00 H new ATOM 0 HB2 ASP A 95 10.947 2.825 -24.135 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.641 3.988 -24.244 1.00 0.00 H new ATOM 1458 N GLY A 96 9.701 1.161 -20.904 1.00 0.00 N ATOM 1459 CA GLY A 96 10.386 0.289 -20.001 1.00 0.00 C ATOM 1460 C GLY A 96 11.814 0.565 -19.680 1.00 0.00 C ATOM 1461 O GLY A 96 12.581 -0.300 -19.260 1.00 0.00 O ATOM 0 H GLY A 96 8.935 1.670 -20.464 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.832 0.285 -19.062 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.329 -0.720 -20.410 1.00 0.00 H new ATOM 1465 N ASN A 97 12.177 1.859 -19.743 1.00 0.00 N ATOM 1466 CA ASN A 97 13.566 2.166 -19.600 1.00 0.00 C ATOM 1467 C ASN A 97 13.974 2.189 -18.168 1.00 0.00 C ATOM 1468 O ASN A 97 15.194 2.196 -18.007 1.00 0.00 O ATOM 1469 CB ASN A 97 14.018 3.440 -20.335 1.00 0.00 C ATOM 1470 CG ASN A 97 13.583 4.711 -19.619 1.00 0.00 C ATOM 1471 OD1 ASN A 97 12.537 4.885 -18.996 1.00 0.00 O ATOM 1472 ND2 ASN A 97 14.500 5.708 -19.736 1.00 0.00 N ATOM 0 H ASN A 97 11.551 2.652 -19.884 1.00 0.00 H new ATOM 0 HA ASN A 97 14.090 1.350 -20.098 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.104 3.434 -20.431 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.609 3.438 -21.345 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.325 6.615 -19.304 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.363 5.549 -20.256 1.00 0.00 H new ATOM 1479 N GLY A 98 13.078 2.224 -17.165 1.00 0.00 N ATOM 1480 CA GLY A 98 13.357 2.161 -15.764 1.00 0.00 C ATOM 1481 C GLY A 98 12.854 3.336 -14.999 1.00 0.00 C ATOM 1482 O GLY A 98 12.972 3.545 -13.793 1.00 0.00 O ATOM 0 H GLY A 98 12.078 2.303 -17.351 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.912 1.254 -15.354 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.434 2.080 -15.621 1.00 0.00 H new ATOM 1486 N TYR A 99 12.163 4.230 -15.729 1.00 0.00 N ATOM 1487 CA TYR A 99 11.863 5.584 -15.381 1.00 0.00 C ATOM 1488 C TYR A 99 10.520 5.957 -15.908 1.00 0.00 C ATOM 1489 O TYR A 99 10.166 5.880 -17.084 1.00 0.00 O ATOM 1490 CB TYR A 99 12.820 6.725 -15.767 1.00 0.00 C ATOM 1491 CG TYR A 99 14.216 6.527 -15.285 1.00 0.00 C ATOM 1492 CD1 TYR A 99 15.043 5.737 -16.049 1.00 0.00 C ATOM 1493 CD2 TYR A 99 14.791 7.190 -14.226 1.00 0.00 C ATOM 1494 CE1 TYR A 99 16.369 5.591 -15.716 1.00 0.00 C ATOM 1495 CE2 TYR A 99 16.115 7.059 -13.880 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.931 6.282 -14.668 1.00 0.00 C ATOM 1497 OH TYR A 99 18.288 6.142 -14.309 1.00 0.00 O ATOM 0 H TYR A 99 11.782 3.981 -16.642 1.00 0.00 H new ATOM 0 HA TYR A 99 11.952 5.526 -14.296 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.831 6.826 -16.852 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.435 7.662 -15.363 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.648 5.228 -16.916 1.00 0.00 H new ATOM 0 HD2 TYR A 99 14.170 7.848 -13.636 1.00 0.00 H new ATOM 0 HE1 TYR A 99 16.985 4.916 -16.292 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.507 7.557 -13.006 1.00 0.00 H new ATOM 0 HH TYR A 99 18.485 6.719 -13.542 1.00 0.00 H new ATOM 1507 N ILE A 100 9.726 6.547 -14.997 1.00 0.00 N ATOM 1508 CA ILE A 100 8.569 7.228 -15.488 1.00 0.00 C ATOM 1509 C ILE A 100 8.882 8.673 -15.676 1.00 0.00 C ATOM 1510 O ILE A 100 9.576 9.298 -14.876 1.00 0.00 O ATOM 1511 CB ILE A 100 7.462 7.091 -14.485 1.00 0.00 C ATOM 1512 CG1 ILE A 100 7.193 5.661 -13.989 1.00 0.00 C ATOM 1513 CG2 ILE A 100 6.228 7.719 -15.154 1.00 0.00 C ATOM 1514 CD1 ILE A 100 6.565 5.694 -12.596 1.00 0.00 C ATOM 0 H ILE A 100 9.868 6.557 -13.987 1.00 0.00 H new ATOM 0 HA ILE A 100 8.266 6.796 -16.442 1.00 0.00 H new ATOM 0 HB ILE A 100 7.745 7.599 -13.563 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.528 5.147 -14.683 1.00 0.00 H new ATOM 0 HG13 ILE A 100 8.125 5.096 -13.962 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.376 7.655 -14.478 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.432 8.765 -15.384 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.001 7.182 -16.075 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.379 4.675 -12.256 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.244 6.190 -11.902 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.623 6.241 -12.634 1.00 0.00 H new ATOM 1526 N SER A 101 8.493 9.166 -16.865 1.00 0.00 N ATOM 1527 CA SER A 101 8.458 10.552 -17.214 1.00 0.00 C ATOM 1528 C SER A 101 7.084 11.074 -16.969 1.00 0.00 C ATOM 1529 O SER A 101 6.158 10.290 -17.170 1.00 0.00 O ATOM 1530 CB SER A 101 9.008 10.906 -18.606 1.00 0.00 C ATOM 1531 OG SER A 101 8.281 10.264 -19.643 1.00 0.00 O ATOM 0 H SER A 101 8.185 8.561 -17.627 1.00 0.00 H new ATOM 0 HA SER A 101 9.167 11.063 -16.562 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.966 11.986 -18.749 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.057 10.617 -18.666 1.00 0.00 H new ATOM 0 HG SER A 101 8.312 9.293 -19.512 1.00 0.00 H new ATOM 1537 N ALA A 102 6.841 12.371 -16.710 1.00 0.00 N ATOM 1538 CA ALA A 102 5.579 12.964 -16.394 1.00 0.00 C ATOM 1539 C ALA A 102 4.689 12.729 -17.566 1.00 0.00 C ATOM 1540 O ALA A 102 3.490 12.517 -17.389 1.00 0.00 O ATOM 1541 CB ALA A 102 5.671 14.488 -16.211 1.00 0.00 C ATOM 0 H ALA A 102 7.592 13.061 -16.723 1.00 0.00 H new ATOM 0 HA ALA A 102 5.217 12.526 -15.464 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.685 14.886 -15.973 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.360 14.716 -15.398 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.033 14.944 -17.132 1.00 0.00 H new ATOM 1547 N ALA A 103 5.148 12.732 -18.830 1.00 0.00 N ATOM 1548 CA ALA A 103 4.521 12.366 -20.062 1.00 0.00 C ATOM 1549 C ALA A 103 3.919 11.022 -20.289 1.00 0.00 C ATOM 1550 O ALA A 103 2.802 10.889 -20.786 1.00 0.00 O ATOM 1551 CB ALA A 103 5.405 12.780 -21.250 1.00 0.00 C ATOM 0 H ALA A 103 6.105 13.039 -19.007 1.00 0.00 H new ATOM 0 HA ALA A 103 3.598 12.937 -19.966 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.917 12.496 -22.183 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.555 13.859 -21.233 1.00 0.00 H new ATOM 0 HB3 ALA A 103 6.370 12.278 -21.178 1.00 0.00 H new ATOM 1557 N GLU A 104 4.569 9.962 -19.774 1.00 0.00 N ATOM 1558 CA GLU A 104 4.008 8.649 -19.692 1.00 0.00 C ATOM 1559 C GLU A 104 2.970 8.534 -18.629 1.00 0.00 C ATOM 1560 O GLU A 104 1.924 7.932 -18.867 1.00 0.00 O ATOM 1561 CB GLU A 104 5.190 7.736 -19.327 1.00 0.00 C ATOM 1562 CG GLU A 104 6.269 7.745 -20.412 1.00 0.00 C ATOM 1563 CD GLU A 104 7.548 7.054 -19.961 1.00 0.00 C ATOM 1564 OE1 GLU A 104 8.318 7.543 -19.091 1.00 0.00 O ATOM 1565 OE2 GLU A 104 7.836 5.997 -20.583 1.00 0.00 O ATOM 0 H GLU A 104 5.517 10.021 -19.402 1.00 0.00 H new ATOM 0 HA GLU A 104 3.520 8.389 -20.631 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.623 8.062 -18.381 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.831 6.717 -19.179 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.887 7.250 -21.305 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.494 8.775 -20.689 1.00 0.00 H new ATOM 1572 N LEU A 105 3.149 9.361 -17.584 1.00 0.00 N ATOM 1573 CA LEU A 105 2.243 9.360 -16.478 1.00 0.00 C ATOM 1574 C LEU A 105 0.960 9.954 -16.948 1.00 0.00 C ATOM 1575 O LEU A 105 -0.122 9.512 -16.564 1.00 0.00 O ATOM 1576 CB LEU A 105 2.714 10.092 -15.209 1.00 0.00 C ATOM 1577 CG LEU A 105 1.835 9.820 -13.977 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.753 8.332 -13.595 1.00 0.00 C ATOM 1579 CD2 LEU A 105 2.531 10.480 -12.775 1.00 0.00 C ATOM 0 H LEU A 105 3.917 10.027 -17.505 1.00 0.00 H new ATOM 0 HA LEU A 105 2.150 8.320 -16.164 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.738 9.793 -14.987 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.730 11.164 -15.403 1.00 0.00 H new ATOM 0 HG LEU A 105 0.837 10.191 -14.212 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.117 8.216 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.332 7.766 -14.426 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.752 7.958 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.940 10.312 -11.875 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.522 10.045 -12.645 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.625 11.551 -12.952 1.00 0.00 H new ATOM 1591 N ARG A 106 1.000 10.889 -17.914 1.00 0.00 N ATOM 1592 CA ARG A 106 -0.149 11.450 -18.556 1.00 0.00 C ATOM 1593 C ARG A 106 -0.819 10.529 -19.516 1.00 0.00 C ATOM 1594 O ARG A 106 -1.984 10.143 -19.425 1.00 0.00 O ATOM 1595 CB ARG A 106 0.223 12.798 -19.195 1.00 0.00 C ATOM 1596 CG ARG A 106 -1.012 13.595 -19.620 1.00 0.00 C ATOM 1597 CD ARG A 106 -0.731 14.694 -20.646 1.00 0.00 C ATOM 1598 NE ARG A 106 -1.399 15.916 -20.114 1.00 0.00 N ATOM 1599 CZ ARG A 106 -2.730 16.176 -20.266 1.00 0.00 C ATOM 1600 NH1 ARG A 106 -3.525 15.394 -21.054 1.00 0.00 N ATOM 1601 NH2 ARG A 106 -3.289 17.292 -19.715 1.00 0.00 N ATOM 0 H ARG A 106 1.877 11.273 -18.265 1.00 0.00 H new ATOM 0 HA ARG A 106 -0.900 11.619 -17.784 1.00 0.00 H new ATOM 0 HB2 ARG A 106 0.807 13.386 -18.486 1.00 0.00 H new ATOM 0 HB3 ARG A 106 0.858 12.624 -20.064 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.749 12.907 -20.035 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.460 14.047 -18.735 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.340 14.854 -20.767 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.126 14.426 -21.626 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.830 16.595 -19.609 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.127 14.594 -21.546 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.517 15.610 -21.151 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -2.711 17.942 -19.183 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.285 17.476 -19.835 1.00 0.00 H new ATOM 1615 N HIS A 107 -0.056 10.149 -20.557 1.00 0.00 N ATOM 1616 CA HIS A 107 -0.490 9.265 -21.593 1.00 0.00 C ATOM 1617 C HIS A 107 -1.013 7.932 -21.179 1.00 0.00 C ATOM 1618 O HIS A 107 -2.052 7.595 -21.745 1.00 0.00 O ATOM 1619 CB HIS A 107 0.617 8.888 -22.591 1.00 0.00 C ATOM 1620 CG HIS A 107 0.420 7.751 -23.549 1.00 0.00 C ATOM 1621 ND1 HIS A 107 -0.035 7.878 -24.846 1.00 0.00 N ATOM 1622 CD2 HIS A 107 0.741 6.446 -23.339 1.00 0.00 C ATOM 1623 CE1 HIS A 107 -0.051 6.602 -25.316 1.00 0.00 C ATOM 1624 NE2 HIS A 107 0.394 5.709 -24.452 1.00 0.00 N ATOM 0 H HIS A 107 0.904 10.472 -20.681 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.286 9.881 -22.011 1.00 0.00 H new ATOM 0 HB2 HIS A 107 0.831 9.776 -23.185 1.00 0.00 H new ATOM 0 HB3 HIS A 107 1.513 8.669 -22.011 1.00 0.00 H new ATOM 0 HD1 HIS A 107 -0.298 8.732 -25.338 1.00 0.00 H new ATOM 0 HD2 HIS A 107 1.195 6.050 -22.443 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.396 6.343 -26.306 1.00 0.00 H new ATOM 1632 N VAL A 108 -0.480 7.144 -20.229 1.00 0.00 N ATOM 1633 CA VAL A 108 -1.125 5.949 -19.781 1.00 0.00 C ATOM 1634 C VAL A 108 -2.346 6.240 -18.977 1.00 0.00 C ATOM 1635 O VAL A 108 -3.299 5.464 -19.016 1.00 0.00 O ATOM 1636 CB VAL A 108 -0.207 5.217 -18.848 1.00 0.00 C ATOM 1637 CG1 VAL A 108 -0.816 3.866 -18.436 1.00 0.00 C ATOM 1638 CG2 VAL A 108 1.044 4.834 -19.657 1.00 0.00 C ATOM 0 H VAL A 108 0.408 7.338 -19.766 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.382 5.378 -20.673 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.015 5.847 -17.980 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.134 3.351 -17.759 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.768 4.034 -17.933 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.978 3.254 -19.323 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.742 4.297 -19.015 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.756 4.196 -20.493 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.522 5.737 -20.038 1.00 0.00 H new ATOM 1648 N MET A 109 -2.471 7.380 -18.273 1.00 0.00 N ATOM 1649 CA MET A 109 -3.612 7.639 -17.451 1.00 0.00 C ATOM 1650 C MET A 109 -4.855 7.932 -18.218 1.00 0.00 C ATOM 1651 O MET A 109 -5.919 7.369 -17.968 1.00 0.00 O ATOM 1652 CB MET A 109 -3.317 8.562 -16.257 1.00 0.00 C ATOM 1653 CG MET A 109 -2.547 7.929 -15.096 1.00 0.00 C ATOM 1654 SD MET A 109 -3.489 6.569 -14.343 1.00 0.00 S ATOM 1655 CE MET A 109 -2.895 6.870 -12.653 1.00 0.00 C ATOM 0 H MET A 109 -1.776 8.127 -18.274 1.00 0.00 H new ATOM 0 HA MET A 109 -3.851 6.691 -16.969 1.00 0.00 H new ATOM 0 HB2 MET A 109 -2.751 9.421 -16.618 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.264 8.943 -15.875 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.588 7.555 -15.454 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.333 8.687 -14.342 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.102 5.997 -12.034 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.821 7.054 -12.672 1.00 0.00 H new ATOM 0 HE3 MET A 109 -3.405 7.739 -12.238 1.00 0.00 H new ATOM 1665 N THR A 110 -4.644 8.768 -19.251 1.00 0.00 N ATOM 1666 CA THR A 110 -5.613 8.964 -20.284 1.00 0.00 C ATOM 1667 C THR A 110 -5.933 7.729 -21.053 1.00 0.00 C ATOM 1668 O THR A 110 -7.050 7.567 -21.542 1.00 0.00 O ATOM 1669 CB THR A 110 -5.320 10.109 -21.207 1.00 0.00 C ATOM 1670 OG1 THR A 110 -4.075 9.925 -21.866 1.00 0.00 O ATOM 1671 CG2 THR A 110 -5.308 11.439 -20.433 1.00 0.00 C ATOM 0 H THR A 110 -3.791 9.314 -19.371 1.00 0.00 H new ATOM 0 HA THR A 110 -6.509 9.240 -19.727 1.00 0.00 H new ATOM 0 HB THR A 110 -6.110 10.142 -21.958 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.687 9.066 -21.599 1.00 0.00 H new ATOM 0 HG21 THR A 110 -5.094 12.258 -21.120 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.282 11.599 -19.970 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.540 11.403 -19.660 1.00 0.00 H new ATOM 1679 N ASN A 111 -5.053 6.724 -21.210 1.00 0.00 N ATOM 1680 CA ASN A 111 -5.378 5.541 -21.946 1.00 0.00 C ATOM 1681 C ASN A 111 -6.446 4.749 -21.273 1.00 0.00 C ATOM 1682 O ASN A 111 -7.446 4.295 -21.826 1.00 0.00 O ATOM 1683 CB ASN A 111 -4.112 4.724 -22.255 1.00 0.00 C ATOM 1684 CG ASN A 111 -4.388 3.601 -23.245 1.00 0.00 C ATOM 1685 OD1 ASN A 111 -4.560 2.447 -22.857 1.00 0.00 O ATOM 1686 ND2 ASN A 111 -4.232 3.944 -24.552 1.00 0.00 N ATOM 0 H ASN A 111 -4.109 6.731 -20.824 1.00 0.00 H new ATOM 0 HA ASN A 111 -5.797 5.837 -22.908 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.344 5.384 -22.659 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.717 4.304 -21.330 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.254 3.224 -25.274 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -4.093 4.921 -24.810 1.00 0.00 H new ATOM 1693 N LEU A 112 -6.197 4.537 -19.968 1.00 0.00 N ATOM 1694 CA LEU A 112 -7.076 3.845 -19.078 1.00 0.00 C ATOM 1695 C LEU A 112 -8.407 4.493 -18.911 1.00 0.00 C ATOM 1696 O LEU A 112 -9.320 3.786 -18.487 1.00 0.00 O ATOM 1697 CB LEU A 112 -6.455 3.719 -17.676 1.00 0.00 C ATOM 1698 CG LEU A 112 -5.098 3.001 -17.583 1.00 0.00 C ATOM 1699 CD1 LEU A 112 -4.314 3.320 -16.299 1.00 0.00 C ATOM 1700 CD2 LEU A 112 -5.267 1.482 -17.750 1.00 0.00 C ATOM 0 H LEU A 112 -5.344 4.863 -19.513 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.222 2.871 -19.544 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.338 4.721 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.163 3.192 -17.036 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.501 3.390 -18.408 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.369 2.777 -16.306 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.117 4.391 -16.249 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.900 3.018 -15.431 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.293 0.998 -17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.919 1.100 -16.965 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.709 1.270 -18.724 1.00 0.00 H new ATOM 1712 N GLY A 113 -8.581 5.759 -19.332 1.00 0.00 N ATOM 1713 CA GLY A 113 -9.703 6.597 -19.042 1.00 0.00 C ATOM 1714 C GLY A 113 -9.770 7.085 -17.635 1.00 0.00 C ATOM 1715 O GLY A 113 -10.820 7.502 -17.149 1.00 0.00 O ATOM 0 H GLY A 113 -7.889 6.228 -19.916 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -9.678 7.458 -19.710 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -10.617 6.047 -19.265 1.00 0.00 H new ATOM 1719 N GLU A 114 -8.645 7.219 -16.910 1.00 0.00 N ATOM 1720 CA GLU A 114 -8.552 8.088 -15.779 1.00 0.00 C ATOM 1721 C GLU A 114 -8.476 9.522 -16.176 1.00 0.00 C ATOM 1722 O GLU A 114 -7.907 9.794 -17.232 1.00 0.00 O ATOM 1723 CB GLU A 114 -7.451 7.483 -14.892 1.00 0.00 C ATOM 1724 CG GLU A 114 -7.588 6.045 -14.387 1.00 0.00 C ATOM 1725 CD GLU A 114 -8.761 5.923 -13.425 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -8.568 6.315 -12.242 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -9.832 5.375 -13.797 1.00 0.00 O ATOM 0 H GLU A 114 -7.783 6.713 -17.114 1.00 0.00 H new ATOM 0 HA GLU A 114 -9.450 8.138 -15.163 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.515 7.545 -15.447 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.347 8.126 -14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.731 5.370 -15.231 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -6.668 5.740 -13.888 1.00 0.00 H new ATOM 1734 N LYS A 115 -8.910 10.536 -15.405 1.00 0.00 N ATOM 1735 CA LYS A 115 -8.753 11.876 -15.877 1.00 0.00 C ATOM 1736 C LYS A 115 -7.665 12.558 -15.121 1.00 0.00 C ATOM 1737 O LYS A 115 -7.820 13.077 -14.016 1.00 0.00 O ATOM 1738 CB LYS A 115 -10.062 12.674 -15.757 1.00 0.00 C ATOM 1739 CG LYS A 115 -11.163 12.120 -16.663 1.00 0.00 C ATOM 1740 CD LYS A 115 -12.527 12.755 -16.380 1.00 0.00 C ATOM 1741 CE LYS A 115 -13.193 12.443 -15.038 1.00 0.00 C ATOM 1742 NZ LYS A 115 -14.607 12.874 -14.972 1.00 0.00 N ATOM 0 H LYS A 115 -9.352 10.437 -14.491 1.00 0.00 H new ATOM 0 HA LYS A 115 -8.487 11.831 -16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -10.403 12.656 -14.722 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -9.874 13.717 -16.013 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.894 12.293 -17.705 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -11.233 11.041 -16.527 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -12.415 13.837 -16.455 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.210 12.449 -17.172 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.139 11.370 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -12.634 12.932 -14.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -15.000 12.634 -14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -14.664 13.902 -15.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.153 12.389 -15.712 1.00 0.00 H new ATOM 1756 N LEU A 116 -6.505 12.722 -15.780 1.00 0.00 N ATOM 1757 CA LEU A 116 -5.376 13.231 -15.064 1.00 0.00 C ATOM 1758 C LEU A 116 -5.024 14.494 -15.772 1.00 0.00 C ATOM 1759 O LEU A 116 -5.017 14.497 -17.002 1.00 0.00 O ATOM 1760 CB LEU A 116 -4.167 12.281 -15.111 1.00 0.00 C ATOM 1761 CG LEU A 116 -4.060 11.354 -13.889 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -3.719 12.040 -12.555 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -5.299 10.462 -13.701 1.00 0.00 C ATOM 0 H LEU A 116 -6.349 12.513 -16.766 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.620 13.363 -14.010 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -4.230 11.672 -16.013 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.255 12.872 -15.188 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.199 10.736 -14.145 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -3.669 11.292 -11.764 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -2.756 12.543 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -4.490 12.772 -12.315 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.163 9.831 -12.823 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.181 11.088 -13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.432 9.834 -14.582 1.00 0.00 H new ATOM 1775 N THR A 117 -4.801 15.616 -15.066 1.00 0.00 N ATOM 1776 CA THR A 117 -4.335 16.873 -15.563 1.00 0.00 C ATOM 1777 C THR A 117 -2.852 16.912 -15.427 1.00 0.00 C ATOM 1778 O THR A 117 -2.315 16.167 -14.609 1.00 0.00 O ATOM 1779 CB THR A 117 -4.912 18.060 -14.851 1.00 0.00 C ATOM 1780 OG1 THR A 117 -4.714 18.031 -13.445 1.00 0.00 O ATOM 1781 CG2 THR A 117 -6.429 18.139 -15.094 1.00 0.00 C ATOM 0 H THR A 117 -4.961 15.644 -14.059 1.00 0.00 H new ATOM 0 HA THR A 117 -4.659 16.943 -16.601 1.00 0.00 H new ATOM 0 HB THR A 117 -4.387 18.925 -15.257 1.00 0.00 H new ATOM 0 HG1 THR A 117 -5.354 17.411 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 117 -6.836 19.005 -14.572 1.00 0.00 H new ATOM 0 HG22 THR A 117 -6.622 18.236 -16.162 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.905 17.233 -14.720 1.00 0.00 H new ATOM 1789 N ASP A 118 -2.171 17.770 -16.209 1.00 0.00 N ATOM 1790 CA ASP A 118 -0.782 18.070 -16.050 1.00 0.00 C ATOM 1791 C ASP A 118 -0.401 18.521 -14.682 1.00 0.00 C ATOM 1792 O ASP A 118 0.650 18.196 -14.133 1.00 0.00 O ATOM 1793 CB ASP A 118 -0.327 19.191 -16.999 1.00 0.00 C ATOM 1794 CG ASP A 118 -0.551 18.859 -18.468 1.00 0.00 C ATOM 1795 OD1 ASP A 118 0.228 18.049 -19.036 1.00 0.00 O ATOM 1796 OD2 ASP A 118 -1.530 19.401 -19.046 1.00 0.00 O ATOM 0 H ASP A 118 -2.606 18.274 -16.982 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.296 17.119 -16.270 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.865 20.107 -16.754 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.732 19.390 -16.835 1.00 0.00 H new ATOM 1801 N GLU A 119 -1.336 19.190 -13.982 1.00 0.00 N ATOM 1802 CA GLU A 119 -1.197 19.618 -12.625 1.00 0.00 C ATOM 1803 C GLU A 119 -1.244 18.450 -11.700 1.00 0.00 C ATOM 1804 O GLU A 119 -0.412 18.409 -10.796 1.00 0.00 O ATOM 1805 CB GLU A 119 -2.240 20.667 -12.202 1.00 0.00 C ATOM 1806 CG GLU A 119 -2.128 22.011 -12.924 1.00 0.00 C ATOM 1807 CD GLU A 119 -2.988 23.022 -12.179 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -3.997 22.656 -11.520 1.00 0.00 O ATOM 1809 OE2 GLU A 119 -2.644 24.234 -12.220 1.00 0.00 O ATOM 0 H GLU A 119 -2.237 19.445 -14.386 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.223 20.102 -12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -3.236 20.259 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -2.148 20.838 -11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.090 22.342 -12.953 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -2.461 21.917 -13.958 1.00 0.00 H new ATOM 1816 N GLU A 120 -2.127 17.455 -11.899 1.00 0.00 N ATOM 1817 CA GLU A 120 -2.176 16.280 -11.086 1.00 0.00 C ATOM 1818 C GLU A 120 -0.997 15.388 -11.266 1.00 0.00 C ATOM 1819 O GLU A 120 -0.412 14.911 -10.295 1.00 0.00 O ATOM 1820 CB GLU A 120 -3.517 15.595 -11.402 1.00 0.00 C ATOM 1821 CG GLU A 120 -4.699 16.291 -10.725 1.00 0.00 C ATOM 1822 CD GLU A 120 -6.032 15.775 -11.247 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -6.394 16.098 -12.410 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -6.670 14.950 -10.539 1.00 0.00 O ATOM 0 H GLU A 120 -2.824 17.468 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.122 16.542 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.673 15.587 -12.481 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.476 14.555 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.645 16.134 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.634 17.366 -10.894 1.00 0.00 H new ATOM 1831 N VAL A 121 -0.593 15.252 -12.542 1.00 0.00 N ATOM 1832 CA VAL A 121 0.642 14.609 -12.868 1.00 0.00 C ATOM 1833 C VAL A 121 1.865 15.171 -12.231 1.00 0.00 C ATOM 1834 O VAL A 121 2.694 14.449 -11.678 1.00 0.00 O ATOM 1835 CB VAL A 121 0.783 14.674 -14.360 1.00 0.00 C ATOM 1836 CG1 VAL A 121 2.183 14.250 -14.837 1.00 0.00 C ATOM 1837 CG2 VAL A 121 -0.243 13.673 -14.918 1.00 0.00 C ATOM 0 H VAL A 121 -1.121 15.587 -13.348 1.00 0.00 H new ATOM 0 HA VAL A 121 0.582 13.595 -12.473 1.00 0.00 H new ATOM 0 HB VAL A 121 0.626 15.698 -14.700 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.232 14.315 -15.924 1.00 0.00 H new ATOM 0 HG12 VAL A 121 2.932 14.910 -14.400 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.378 13.224 -14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -0.193 13.670 -16.007 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.019 12.675 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.245 13.964 -14.601 1.00 0.00 H new ATOM 1847 N ASP A 122 2.084 16.498 -12.248 1.00 0.00 N ATOM 1848 CA ASP A 122 3.071 17.253 -11.540 1.00 0.00 C ATOM 1849 C ASP A 122 3.053 17.028 -10.067 1.00 0.00 C ATOM 1850 O ASP A 122 4.081 16.882 -9.407 1.00 0.00 O ATOM 1851 CB ASP A 122 2.792 18.734 -11.850 1.00 0.00 C ATOM 1852 CG ASP A 122 3.875 19.674 -11.341 1.00 0.00 C ATOM 1853 OD1 ASP A 122 5.058 19.391 -11.672 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.588 20.696 -10.663 1.00 0.00 O ATOM 0 H ASP A 122 1.502 17.107 -12.824 1.00 0.00 H new ATOM 0 HA ASP A 122 4.061 16.935 -11.867 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.691 18.859 -12.928 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.838 19.017 -11.405 1.00 0.00 H new ATOM 1859 N GLU A 123 1.845 17.004 -9.476 1.00 0.00 N ATOM 1860 CA GLU A 123 1.692 16.737 -8.079 1.00 0.00 C ATOM 1861 C GLU A 123 2.283 15.441 -7.645 1.00 0.00 C ATOM 1862 O GLU A 123 2.992 15.322 -6.647 1.00 0.00 O ATOM 1863 CB GLU A 123 0.185 16.869 -7.799 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.038 16.974 -6.290 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.470 17.425 -6.041 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -2.375 16.655 -6.461 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -1.748 18.480 -5.410 1.00 0.00 O ATOM 0 H GLU A 123 0.968 17.171 -9.970 1.00 0.00 H new ATOM 0 HA GLU A 123 2.259 17.449 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.214 17.751 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.348 16.006 -8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.144 16.011 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.664 17.684 -5.852 1.00 0.00 H new ATOM 1874 N MET A 124 2.092 14.372 -8.439 1.00 0.00 N ATOM 1875 CA MET A 124 2.622 13.055 -8.266 1.00 0.00 C ATOM 1876 C MET A 124 4.082 12.984 -8.554 1.00 0.00 C ATOM 1877 O MET A 124 4.790 12.399 -7.736 1.00 0.00 O ATOM 1878 CB MET A 124 1.864 12.068 -9.170 1.00 0.00 C ATOM 1879 CG MET A 124 0.379 11.877 -8.854 1.00 0.00 C ATOM 1880 SD MET A 124 -0.743 11.717 -10.276 1.00 0.00 S ATOM 1881 CE MET A 124 -0.171 9.993 -10.298 1.00 0.00 C ATOM 0 H MET A 124 1.514 14.438 -9.277 1.00 0.00 H new ATOM 0 HA MET A 124 2.487 12.786 -7.218 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.955 12.407 -10.202 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.356 11.097 -9.109 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.274 10.985 -8.236 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.047 12.723 -8.252 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.197 9.614 -11.320 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.850 9.943 -9.918 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.822 9.386 -9.669 1.00 0.00 H new ATOM 1891 N ILE A 125 4.525 13.584 -9.674 1.00 0.00 N ATOM 1892 CA ILE A 125 5.932 13.614 -9.930 1.00 0.00 C ATOM 1893 C ILE A 125 6.673 14.363 -8.877 1.00 0.00 C ATOM 1894 O ILE A 125 7.804 14.023 -8.531 1.00 0.00 O ATOM 1895 CB ILE A 125 6.110 14.283 -11.261 1.00 0.00 C ATOM 1896 CG1 ILE A 125 6.858 13.418 -12.289 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.730 15.691 -11.279 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.022 12.199 -12.676 1.00 0.00 C ATOM 0 H ILE A 125 3.937 14.032 -10.377 1.00 0.00 H new ATOM 0 HA ILE A 125 6.333 12.601 -9.929 1.00 0.00 H new ATOM 0 HB ILE A 125 5.064 14.410 -11.542 1.00 0.00 H new ATOM 0 HG12 ILE A 125 7.081 14.010 -13.177 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.813 13.094 -11.874 1.00 0.00 H new ATOM 0 HG21 ILE A 125 6.796 16.046 -12.307 1.00 0.00 H new ATOM 0 HG22 ILE A 125 6.105 16.371 -10.700 1.00 0.00 H new ATOM 0 HG23 ILE A 125 7.728 15.655 -10.843 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.568 11.599 -13.404 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.822 11.599 -11.789 1.00 0.00 H new ATOM 0 HD13 ILE A 125 5.079 12.528 -13.112 1.00 0.00 H new ATOM 1910 N ARG A 126 6.091 15.450 -8.341 1.00 0.00 N ATOM 1911 CA ARG A 126 6.636 16.136 -7.211 1.00 0.00 C ATOM 1912 C ARG A 126 6.661 15.383 -5.925 1.00 0.00 C ATOM 1913 O ARG A 126 7.550 15.602 -5.104 1.00 0.00 O ATOM 1914 CB ARG A 126 5.893 17.473 -7.052 1.00 0.00 C ATOM 1915 CG ARG A 126 6.487 18.371 -5.965 1.00 0.00 C ATOM 1916 CD ARG A 126 5.633 19.577 -5.567 1.00 0.00 C ATOM 1917 NE ARG A 126 6.466 20.296 -4.563 1.00 0.00 N ATOM 1918 CZ ARG A 126 5.845 21.127 -3.676 1.00 0.00 C ATOM 1919 NH1 ARG A 126 4.578 21.606 -3.843 1.00 0.00 N ATOM 1920 NH2 ARG A 126 6.523 21.749 -2.668 1.00 0.00 N ATOM 0 H ARG A 126 5.228 15.860 -8.698 1.00 0.00 H new ATOM 0 HA ARG A 126 7.694 16.280 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.911 18.006 -8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.847 17.274 -6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 126 6.667 17.766 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 126 7.457 18.732 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 126 5.411 20.209 -6.427 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.678 19.267 -5.144 1.00 0.00 H new ATOM 0 HE ARG A 126 7.478 20.170 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.039 21.345 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 126 4.170 22.225 -3.142 1.00 0.00 H new ATOM 0 HH21 ARG A 126 7.526 21.599 -2.560 1.00 0.00 H new ATOM 0 HH22 ARG A 126 6.027 22.364 -2.023 1.00 0.00 H new ATOM 1934 N GLU A 127 5.674 14.519 -5.629 1.00 0.00 N ATOM 1935 CA GLU A 127 5.698 13.635 -4.505 1.00 0.00 C ATOM 1936 C GLU A 127 6.638 12.486 -4.641 1.00 0.00 C ATOM 1937 O GLU A 127 7.302 12.184 -3.651 1.00 0.00 O ATOM 1938 CB GLU A 127 4.250 13.197 -4.230 1.00 0.00 C ATOM 1939 CG GLU A 127 4.053 12.298 -3.008 1.00 0.00 C ATOM 1940 CD GLU A 127 2.633 12.243 -2.465 1.00 0.00 C ATOM 1941 OE1 GLU A 127 2.047 13.329 -2.207 1.00 0.00 O ATOM 1942 OE2 GLU A 127 2.111 11.137 -2.163 1.00 0.00 O ATOM 0 H GLU A 127 4.828 14.433 -6.193 1.00 0.00 H new ATOM 0 HA GLU A 127 6.101 14.173 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.637 14.089 -4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.875 12.673 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.365 11.286 -3.267 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.715 12.642 -2.214 1.00 0.00 H new ATOM 1949 N ALA A 128 6.820 11.963 -5.867 1.00 0.00 N ATOM 1950 CA ALA A 128 7.634 10.840 -6.214 1.00 0.00 C ATOM 1951 C ALA A 128 9.091 11.119 -6.352 1.00 0.00 C ATOM 1952 O ALA A 128 9.875 10.364 -5.778 1.00 0.00 O ATOM 1953 CB ALA A 128 7.111 10.194 -7.508 1.00 0.00 C ATOM 0 H ALA A 128 6.357 12.362 -6.684 1.00 0.00 H new ATOM 0 HA ALA A 128 7.550 10.161 -5.365 1.00 0.00 H new ATOM 0 HB1 ALA A 128 7.736 9.339 -7.766 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.084 9.861 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 128 7.142 10.924 -8.317 1.00 0.00 H new ATOM 1959 N ASP A 129 9.530 12.169 -7.069 1.00 0.00 N ATOM 1960 CA ASP A 129 10.922 12.415 -7.284 1.00 0.00 C ATOM 1961 C ASP A 129 11.782 12.637 -6.087 1.00 0.00 C ATOM 1962 O ASP A 129 11.405 13.527 -5.326 1.00 0.00 O ATOM 1963 CB ASP A 129 11.121 13.511 -8.344 1.00 0.00 C ATOM 1964 CG ASP A 129 12.609 13.588 -8.655 1.00 0.00 C ATOM 1965 OD1 ASP A 129 13.314 12.575 -8.912 1.00 0.00 O ATOM 1966 OD2 ASP A 129 13.015 14.778 -8.734 1.00 0.00 O ATOM 0 H ASP A 129 8.913 12.855 -7.504 1.00 0.00 H new ATOM 0 HA ASP A 129 11.293 11.458 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 129 10.553 13.279 -9.245 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.757 14.470 -7.976 1.00 0.00 H new ATOM 1971 N ILE A 130 12.856 11.847 -5.913 1.00 0.00 N ATOM 1972 CA ILE A 130 13.822 12.078 -4.884 1.00 0.00 C ATOM 1973 C ILE A 130 14.920 12.973 -5.349 1.00 0.00 C ATOM 1974 O ILE A 130 14.945 14.087 -4.829 1.00 0.00 O ATOM 1975 CB ILE A 130 14.349 10.870 -4.168 1.00 0.00 C ATOM 1976 CG1 ILE A 130 13.115 10.224 -3.516 1.00 0.00 C ATOM 1977 CG2 ILE A 130 15.471 11.118 -3.147 1.00 0.00 C ATOM 1978 CD1 ILE A 130 13.311 8.821 -2.943 1.00 0.00 C ATOM 0 H ILE A 130 13.057 11.035 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 130 13.247 12.589 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 130 14.850 10.224 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 130 12.770 10.877 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 130 12.318 10.183 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 130 15.768 10.171 -2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 130 16.328 11.565 -3.650 1.00 0.00 H new ATOM 0 HG23 ILE A 130 15.113 11.794 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 130 12.374 8.470 -2.511 1.00 0.00 H new ATOM 0 HD12 ILE A 130 13.620 8.143 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 130 14.079 8.848 -2.170 1.00 0.00 H new ATOM 1990 N ASP A 131 15.749 12.520 -6.306 1.00 0.00 N ATOM 1991 CA ASP A 131 17.030 13.049 -6.660 1.00 0.00 C ATOM 1992 C ASP A 131 17.043 14.306 -7.460 1.00 0.00 C ATOM 1993 O ASP A 131 18.044 15.014 -7.555 1.00 0.00 O ATOM 1994 CB ASP A 131 17.929 11.966 -7.281 1.00 0.00 C ATOM 1995 CG ASP A 131 17.209 11.277 -8.431 1.00 0.00 C ATOM 1996 OD1 ASP A 131 16.731 11.960 -9.376 1.00 0.00 O ATOM 1997 OD2 ASP A 131 17.044 10.028 -8.416 1.00 0.00 O ATOM 0 H ASP A 131 15.500 11.715 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 131 17.447 13.366 -5.704 1.00 0.00 H new ATOM 0 HB2 ASP A 131 18.855 12.415 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A 131 18.203 11.232 -6.523 1.00 0.00 H new ATOM 2002 N GLY A 132 15.889 14.817 -7.926 1.00 0.00 N ATOM 2003 CA GLY A 132 15.803 16.165 -8.395 1.00 0.00 C ATOM 2004 C GLY A 132 15.906 16.230 -9.880 1.00 0.00 C ATOM 2005 O GLY A 132 15.983 17.356 -10.370 1.00 0.00 O ATOM 0 H GLY A 132 15.014 14.295 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 132 14.858 16.604 -8.074 1.00 0.00 H new ATOM 0 HA3 GLY A 132 16.599 16.760 -7.947 1.00 0.00 H new ATOM 2009 N ASP A 133 15.860 15.068 -10.555 1.00 0.00 N ATOM 2010 CA ASP A 133 15.814 15.077 -11.984 1.00 0.00 C ATOM 2011 C ASP A 133 14.421 15.255 -12.481 1.00 0.00 C ATOM 2012 O ASP A 133 14.259 15.775 -13.584 1.00 0.00 O ATOM 2013 CB ASP A 133 16.580 13.914 -12.637 1.00 0.00 C ATOM 2014 CG ASP A 133 15.969 12.548 -12.357 1.00 0.00 C ATOM 2015 OD1 ASP A 133 14.942 12.335 -11.659 1.00 0.00 O ATOM 2016 OD2 ASP A 133 16.515 11.631 -13.026 1.00 0.00 O ATOM 0 H ASP A 133 15.855 14.143 -10.125 1.00 0.00 H new ATOM 0 HA ASP A 133 16.368 15.956 -12.314 1.00 0.00 H new ATOM 0 HB2 ASP A 133 16.615 14.073 -13.715 1.00 0.00 H new ATOM 0 HB3 ASP A 133 17.610 13.922 -12.280 1.00 0.00 H new ATOM 2021 N GLY A 134 13.394 14.894 -11.690 1.00 0.00 N ATOM 2022 CA GLY A 134 12.032 14.920 -12.124 1.00 0.00 C ATOM 2023 C GLY A 134 11.570 13.745 -12.916 1.00 0.00 C ATOM 2024 O GLY A 134 10.509 13.770 -13.538 1.00 0.00 O ATOM 0 H GLY A 134 13.513 14.577 -10.728 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.394 15.012 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.881 15.818 -12.723 1.00 0.00 H new ATOM 2028 N GLN A 135 12.352 12.651 -12.902 1.00 0.00 N ATOM 2029 CA GLN A 135 11.940 11.373 -13.394 1.00 0.00 C ATOM 2030 C GLN A 135 11.772 10.410 -12.270 1.00 0.00 C ATOM 2031 O GLN A 135 12.493 10.479 -11.276 1.00 0.00 O ATOM 2032 CB GLN A 135 12.957 10.784 -14.387 1.00 0.00 C ATOM 2033 CG GLN A 135 13.056 11.575 -15.693 1.00 0.00 C ATOM 2034 CD GLN A 135 13.693 10.731 -16.787 1.00 0.00 C ATOM 2035 OE1 GLN A 135 12.968 10.275 -17.671 1.00 0.00 O ATOM 2036 NE2 GLN A 135 15.038 10.535 -16.732 1.00 0.00 N ATOM 0 H GLN A 135 13.304 12.656 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 135 10.991 11.527 -13.908 1.00 0.00 H new ATOM 0 HB2 GLN A 135 13.939 10.752 -13.915 1.00 0.00 H new ATOM 0 HB3 GLN A 135 12.679 9.755 -14.614 1.00 0.00 H new ATOM 0 HG2 GLN A 135 12.062 11.895 -16.006 1.00 0.00 H new ATOM 0 HG3 GLN A 135 13.646 12.478 -15.533 1.00 0.00 H new ATOM 0 HE21 GLN A 135 15.582 10.942 -15.971 1.00 0.00 H new ATOM 0 HE22 GLN A 135 15.503 9.982 -17.452 1.00 0.00 H new ATOM 2045 N VAL A 136 10.783 9.502 -12.347 1.00 0.00 N ATOM 2046 CA VAL A 136 10.538 8.652 -11.223 1.00 0.00 C ATOM 2047 C VAL A 136 11.267 7.395 -11.550 1.00 0.00 C ATOM 2048 O VAL A 136 10.913 6.605 -12.424 1.00 0.00 O ATOM 2049 CB VAL A 136 9.076 8.427 -10.973 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.923 7.718 -9.616 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.200 9.691 -10.989 1.00 0.00 C ATOM 0 H VAL A 136 10.174 9.358 -13.153 1.00 0.00 H new ATOM 0 HA VAL A 136 10.887 9.096 -10.291 1.00 0.00 H new ATOM 0 HB VAL A 136 8.715 7.823 -11.806 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.866 7.544 -9.413 1.00 0.00 H new ATOM 0 HG12 VAL A 136 9.449 6.764 -9.643 1.00 0.00 H new ATOM 0 HG13 VAL A 136 9.345 8.343 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.162 9.417 -10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.541 10.380 -10.217 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.274 10.173 -11.964 1.00 0.00 H new ATOM 2061 N ASN A 137 12.281 7.026 -10.746 1.00 0.00 N ATOM 2062 CA ASN A 137 12.883 5.745 -10.945 1.00 0.00 C ATOM 2063 C ASN A 137 12.168 4.754 -10.093 1.00 0.00 C ATOM 2064 O ASN A 137 11.355 5.213 -9.292 1.00 0.00 O ATOM 2065 CB ASN A 137 14.375 5.956 -10.638 1.00 0.00 C ATOM 2066 CG ASN A 137 15.377 4.866 -10.993 1.00 0.00 C ATOM 2067 OD1 ASN A 137 15.114 3.846 -11.627 1.00 0.00 O ATOM 2068 ND2 ASN A 137 16.659 4.980 -10.553 1.00 0.00 N ATOM 0 H ASN A 137 12.671 7.587 -9.989 1.00 0.00 H new ATOM 0 HA ASN A 137 12.807 5.337 -11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 137 14.688 6.866 -11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 137 14.464 6.145 -9.568 1.00 0.00 H new ATOM 0 HD21 ASN A 137 17.335 4.244 -10.756 1.00 0.00 H new ATOM 0 HD22 ASN A 137 16.944 5.802 -10.021 1.00 0.00 H new ATOM 2075 N TYR A 138 12.507 3.459 -10.222 1.00 0.00 N ATOM 2076 CA TYR A 138 11.983 2.390 -9.429 1.00 0.00 C ATOM 2077 C TYR A 138 11.943 2.529 -7.946 1.00 0.00 C ATOM 2078 O TYR A 138 10.908 2.338 -7.310 1.00 0.00 O ATOM 2079 CB TYR A 138 12.623 1.041 -9.801 1.00 0.00 C ATOM 2080 CG TYR A 138 11.721 -0.102 -9.485 1.00 0.00 C ATOM 2081 CD1 TYR A 138 10.480 -0.368 -10.013 1.00 0.00 C ATOM 2082 CD2 TYR A 138 12.248 -0.866 -8.470 1.00 0.00 C ATOM 2083 CE1 TYR A 138 9.733 -1.406 -9.508 1.00 0.00 C ATOM 2084 CE2 TYR A 138 11.497 -1.913 -7.991 1.00 0.00 C ATOM 2085 CZ TYR A 138 10.244 -2.177 -8.490 1.00 0.00 C ATOM 2086 OH TYR A 138 9.506 -3.330 -8.145 1.00 0.00 O ATOM 0 H TYR A 138 13.183 3.141 -10.917 1.00 0.00 H new ATOM 0 HA TYR A 138 10.930 2.440 -9.707 1.00 0.00 H new ATOM 0 HB2 TYR A 138 12.862 1.033 -10.864 1.00 0.00 H new ATOM 0 HB3 TYR A 138 13.563 0.923 -9.262 1.00 0.00 H new ATOM 0 HD1 TYR A 138 10.093 0.236 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 138 13.224 -0.650 -8.061 1.00 0.00 H new ATOM 0 HE1 TYR A 138 8.752 -1.615 -9.908 1.00 0.00 H new ATOM 0 HE2 TYR A 138 11.899 -2.539 -7.208 1.00 0.00 H new ATOM 0 HH TYR A 138 9.958 -3.802 -7.415 1.00 0.00 H new ATOM 2096 N GLU A 139 13.088 2.828 -7.307 1.00 0.00 N ATOM 2097 CA GLU A 139 13.175 2.939 -5.884 1.00 0.00 C ATOM 2098 C GLU A 139 12.364 4.090 -5.398 1.00 0.00 C ATOM 2099 O GLU A 139 11.728 3.909 -4.361 1.00 0.00 O ATOM 2100 CB GLU A 139 14.659 2.948 -5.480 1.00 0.00 C ATOM 2101 CG GLU A 139 15.401 1.616 -5.605 1.00 0.00 C ATOM 2102 CD GLU A 139 15.765 1.158 -7.010 1.00 0.00 C ATOM 2103 OE1 GLU A 139 15.646 1.893 -8.027 1.00 0.00 O ATOM 2104 OE2 GLU A 139 16.207 -0.020 -7.083 1.00 0.00 O ATOM 0 H GLU A 139 13.971 2.996 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 139 12.733 2.077 -5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 139 15.176 3.687 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 139 14.730 3.284 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 139 16.319 1.684 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 139 14.787 0.842 -5.144 1.00 0.00 H new ATOM 2111 N GLU A 140 12.245 5.237 -6.091 1.00 0.00 N ATOM 2112 CA GLU A 140 11.480 6.408 -5.795 1.00 0.00 C ATOM 2113 C GLU A 140 10.014 6.172 -5.677 1.00 0.00 C ATOM 2114 O GLU A 140 9.427 6.606 -4.687 1.00 0.00 O ATOM 2115 CB GLU A 140 11.740 7.531 -6.814 1.00 0.00 C ATOM 2116 CG GLU A 140 13.237 7.799 -6.987 1.00 0.00 C ATOM 2117 CD GLU A 140 13.604 8.923 -7.945 1.00 0.00 C ATOM 2118 OE1 GLU A 140 13.318 8.867 -9.170 1.00 0.00 O ATOM 2119 OE2 GLU A 140 14.298 9.892 -7.537 1.00 0.00 O ATOM 0 H GLU A 140 12.751 5.353 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 140 11.829 6.717 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 140 11.305 7.258 -7.776 1.00 0.00 H new ATOM 0 HB3 GLU A 140 11.242 8.443 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.661 8.028 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.713 6.882 -7.334 1.00 0.00 H new ATOM 2126 N PHE A 141 9.498 5.496 -6.720 1.00 0.00 N ATOM 2127 CA PHE A 141 8.143 5.041 -6.687 1.00 0.00 C ATOM 2128 C PHE A 141 7.792 3.950 -5.734 1.00 0.00 C ATOM 2129 O PHE A 141 6.685 3.936 -5.199 1.00 0.00 O ATOM 2130 CB PHE A 141 7.861 4.457 -8.081 1.00 0.00 C ATOM 2131 CG PHE A 141 6.436 4.183 -8.417 1.00 0.00 C ATOM 2132 CD1 PHE A 141 6.015 2.902 -8.149 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.636 5.091 -9.070 1.00 0.00 C ATOM 2134 CE1 PHE A 141 4.738 2.515 -8.481 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.327 4.735 -9.292 1.00 0.00 C ATOM 2136 CZ PHE A 141 3.938 3.426 -9.130 1.00 0.00 C ATOM 0 H PHE A 141 10.009 5.268 -7.573 1.00 0.00 H new ATOM 0 HA PHE A 141 7.565 5.909 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.259 5.146 -8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.419 3.525 -8.179 1.00 0.00 H new ATOM 0 HD1 PHE A 141 6.687 2.200 -7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 141 6.021 6.046 -9.396 1.00 0.00 H new ATOM 0 HE1 PHE A 141 4.375 1.527 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 141 3.606 5.481 -9.593 1.00 0.00 H new ATOM 0 HZ PHE A 141 2.983 3.106 -9.521 1.00 0.00 H new ATOM 2146 N VAL A 142 8.694 3.002 -5.423 1.00 0.00 N ATOM 2147 CA VAL A 142 8.597 2.075 -4.338 1.00 0.00 C ATOM 2148 C VAL A 142 8.559 2.758 -3.015 1.00 0.00 C ATOM 2149 O VAL A 142 7.708 2.462 -2.177 1.00 0.00 O ATOM 2150 CB VAL A 142 9.611 0.975 -4.454 1.00 0.00 C ATOM 2151 CG1 VAL A 142 9.736 0.210 -3.126 1.00 0.00 C ATOM 2152 CG2 VAL A 142 9.157 0.078 -5.618 1.00 0.00 C ATOM 0 H VAL A 142 9.548 2.875 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 142 7.632 1.573 -4.408 1.00 0.00 H new ATOM 0 HB VAL A 142 10.608 1.365 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A 142 10.476 -0.583 -3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 142 10.049 0.896 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 142 8.772 -0.226 -2.865 1.00 0.00 H new ATOM 0 HG21 VAL A 142 9.865 -0.741 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 142 8.168 -0.327 -5.401 1.00 0.00 H new ATOM 0 HG23 VAL A 142 9.115 0.665 -6.535 1.00 0.00 H new ATOM 2162 N GLN A 143 9.490 3.687 -2.730 1.00 0.00 N ATOM 2163 CA GLN A 143 9.529 4.356 -1.467 1.00 0.00 C ATOM 2164 C GLN A 143 8.339 5.157 -1.063 1.00 0.00 C ATOM 2165 O GLN A 143 7.980 5.107 0.112 1.00 0.00 O ATOM 2166 CB GLN A 143 10.815 5.179 -1.289 1.00 0.00 C ATOM 2167 CG GLN A 143 12.034 4.325 -0.933 1.00 0.00 C ATOM 2168 CD GLN A 143 13.324 5.129 -1.021 1.00 0.00 C ATOM 2169 OE1 GLN A 143 13.904 5.670 -0.081 1.00 0.00 O ATOM 2170 NE2 GLN A 143 13.670 5.442 -2.299 1.00 0.00 N ATOM 0 H GLN A 143 10.221 3.976 -3.380 1.00 0.00 H new ATOM 0 HA GLN A 143 9.514 3.513 -0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 143 11.019 5.726 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 143 10.658 5.921 -0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 143 11.919 3.928 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 143 12.090 3.470 -1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 143 13.191 4.995 -3.081 1.00 0.00 H new ATOM 0 HE22 GLN A 143 14.408 6.123 -2.475 1.00 0.00 H new ATOM 2179 N MET A 144 7.723 5.927 -1.978 1.00 0.00 N ATOM 2180 CA MET A 144 6.504 6.620 -1.696 1.00 0.00 C ATOM 2181 C MET A 144 5.336 5.714 -1.508 1.00 0.00 C ATOM 2182 O MET A 144 4.316 6.070 -0.919 1.00 0.00 O ATOM 2183 CB MET A 144 6.078 7.743 -2.657 1.00 0.00 C ATOM 2184 CG MET A 144 5.826 7.273 -4.091 1.00 0.00 C ATOM 2185 SD MET A 144 5.040 8.617 -5.028 1.00 0.00 S ATOM 2186 CE MET A 144 4.519 7.495 -6.358 1.00 0.00 C ATOM 0 H MET A 144 8.075 6.071 -2.925 1.00 0.00 H new ATOM 0 HA MET A 144 6.784 7.107 -0.762 1.00 0.00 H new ATOM 0 HB2 MET A 144 5.171 8.210 -2.274 1.00 0.00 H new ATOM 0 HB3 MET A 144 6.852 8.511 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 144 6.765 6.985 -4.563 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.186 6.391 -4.091 1.00 0.00 H new ATOM 0 HE1 MET A 144 3.983 8.059 -7.121 1.00 0.00 H new ATOM 0 HE2 MET A 144 5.397 7.026 -6.803 1.00 0.00 H new ATOM 0 HE3 MET A 144 3.864 6.725 -5.949 1.00 0.00 H new ATOM 2196 N MET A 145 5.343 4.453 -1.974 1.00 0.00 N ATOM 2197 CA MET A 145 4.394 3.423 -1.685 1.00 0.00 C ATOM 2198 C MET A 145 4.638 2.843 -0.335 1.00 0.00 C ATOM 2199 O MET A 145 3.673 2.573 0.378 1.00 0.00 O ATOM 2200 CB MET A 145 4.386 2.401 -2.835 1.00 0.00 C ATOM 2201 CG MET A 145 3.603 3.000 -4.005 1.00 0.00 C ATOM 2202 SD MET A 145 3.198 1.759 -5.270 1.00 0.00 S ATOM 2203 CE MET A 145 1.905 2.872 -5.893 1.00 0.00 C ATOM 0 H MET A 145 6.075 4.128 -2.606 1.00 0.00 H new ATOM 0 HA MET A 145 3.385 3.832 -1.632 1.00 0.00 H new ATOM 0 HB2 MET A 145 5.405 2.166 -3.141 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.927 1.467 -2.510 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.683 3.449 -3.632 1.00 0.00 H new ATOM 0 HG3 MET A 145 4.187 3.801 -4.458 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.498 2.473 -6.822 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.108 2.954 -5.154 1.00 0.00 H new ATOM 0 HE3 MET A 145 2.331 3.858 -6.077 1.00 0.00 H new