USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 591 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 1 MET N :NH3+ -134:sc= -1.19 (180deg=-5.75!) USER MOD Set 1.2: A 63 SER OG : rot 180:sc= 1 USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0926) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.251 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.6!) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0386 (180deg=-0.242) USER MOD Single : A 14 GLN : amide:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 16 THR OG1 : rot 56:sc= 0.731 USER MOD Single : A 17 SER OG : rot -60:sc= 0.677 USER MOD Single : A 19 THR OG1 : rot -172:sc= 0.0667 USER MOD Single : A 22 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.13) USER MOD Single : A 23 THR OG1 : rot 163:sc= 1.13 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0268 (180deg=-0.222) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.95 X(o=-0.95,f=-1.1) USER MOD Single : A 41 MET CE :methyl 164:sc= -0.0339 (180deg=-0.418) USER MOD Single : A 46 TYR OH : rot 82:sc= 0.218 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 55 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0401) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot -90:sc= -0.0202 USER MOD Single : A 69 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-4.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.488 -0.087 0.929 1.00 2.23 N ATOM 2 CA MET A 1 0.864 0.283 -0.430 1.00 53.24 C ATOM 3 C MET A 1 0.320 -0.724 -1.438 1.00 75.40 C ATOM 4 O MET A 1 -0.655 -0.451 -2.140 1.00 32.21 O ATOM 5 CB MET A 1 2.386 0.375 -0.555 1.00 12.22 C ATOM 6 CG MET A 1 2.860 0.746 -1.951 1.00 1.25 C ATOM 7 SD MET A 1 4.311 -0.194 -2.464 1.00 14.20 S ATOM 8 CE MET A 1 5.477 0.257 -1.182 1.00 45.21 C ATOM 0 H1 MET A 1 0.134 0.752 1.432 1.00 2.23 H new ATOM 0 H2 MET A 1 -0.257 -0.812 0.898 1.00 2.23 H new ATOM 0 H3 MET A 1 1.318 -0.465 1.428 1.00 2.23 H new ATOM 0 HA MET A 1 0.429 1.259 -0.647 1.00 53.24 H new ATOM 0 HB2 MET A 1 2.756 1.115 0.154 1.00 12.22 H new ATOM 0 HB3 MET A 1 2.824 -0.583 -0.274 1.00 12.22 H new ATOM 0 HG2 MET A 1 2.052 0.576 -2.662 1.00 1.25 H new ATOM 0 HG3 MET A 1 3.092 1.811 -1.981 1.00 1.25 H new ATOM 0 HE1 MET A 1 6.468 -0.115 -1.444 1.00 45.21 H new ATOM 0 HE2 MET A 1 5.510 1.342 -1.086 1.00 45.21 H new ATOM 0 HE3 MET A 1 5.164 -0.182 -0.235 1.00 45.21 H new ATOM 18 N LEU A 2 0.955 -1.889 -1.505 1.00 73.20 N ATOM 19 CA LEU A 2 0.534 -2.938 -2.428 1.00 20.14 C ATOM 20 C LEU A 2 -0.777 -3.571 -1.971 1.00 43.15 C ATOM 21 O LEU A 2 -0.859 -4.138 -0.881 1.00 5.21 O ATOM 22 CB LEU A 2 1.619 -4.010 -2.541 1.00 21.43 C ATOM 23 CG LEU A 2 1.188 -5.338 -3.166 1.00 4.32 C ATOM 24 CD1 LEU A 2 2.340 -5.962 -3.939 1.00 32.35 C ATOM 25 CD2 LEU A 2 0.683 -6.293 -2.094 1.00 53.43 C ATOM 0 H LEU A 2 1.763 -2.131 -0.932 1.00 73.20 H new ATOM 0 HA LEU A 2 0.376 -2.485 -3.407 1.00 20.14 H new ATOM 0 HB2 LEU A 2 2.442 -3.605 -3.129 1.00 21.43 H new ATOM 0 HB3 LEU A 2 2.009 -4.211 -1.543 1.00 21.43 H new ATOM 0 HG LEU A 2 0.373 -5.143 -3.863 1.00 4.32 H new ATOM 0 HD11 LEU A 2 2.015 -6.906 -4.377 1.00 32.35 H new ATOM 0 HD12 LEU A 2 2.656 -5.284 -4.732 1.00 32.35 H new ATOM 0 HD13 LEU A 2 3.176 -6.144 -3.263 1.00 32.35 H new ATOM 0 HD21 LEU A 2 0.381 -7.232 -2.557 1.00 53.43 H new ATOM 0 HD22 LEU A 2 1.478 -6.483 -1.372 1.00 53.43 H new ATOM 0 HD23 LEU A 2 -0.172 -5.848 -1.584 1.00 53.43 H new ATOM 37 N LEU A 3 -1.800 -3.472 -2.813 1.00 64.43 N ATOM 38 CA LEU A 3 -3.107 -4.037 -2.498 1.00 71.32 C ATOM 39 C LEU A 3 -3.729 -4.690 -3.729 1.00 14.35 C ATOM 40 O LEU A 3 -3.495 -4.260 -4.858 1.00 62.23 O ATOM 41 CB LEU A 3 -4.038 -2.950 -1.958 1.00 5.02 C ATOM 42 CG LEU A 3 -4.714 -2.065 -3.005 1.00 14.43 C ATOM 43 CD1 LEU A 3 -5.712 -1.125 -2.345 1.00 23.10 C ATOM 44 CD2 LEU A 3 -3.675 -1.277 -3.789 1.00 53.03 C ATOM 0 H LEU A 3 -1.749 -3.006 -3.719 1.00 64.43 H new ATOM 0 HA LEU A 3 -2.970 -4.802 -1.734 1.00 71.32 H new ATOM 0 HB2 LEU A 3 -4.814 -3.428 -1.360 1.00 5.02 H new ATOM 0 HB3 LEU A 3 -3.466 -2.311 -1.286 1.00 5.02 H new ATOM 0 HG LEU A 3 -5.255 -2.707 -3.701 1.00 14.43 H new ATOM 0 HD11 LEU A 3 -6.184 -0.503 -3.106 1.00 23.10 H new ATOM 0 HD12 LEU A 3 -6.475 -1.708 -1.829 1.00 23.10 H new ATOM 0 HD13 LEU A 3 -5.194 -0.490 -1.627 1.00 23.10 H new ATOM 0 HD21 LEU A 3 -4.175 -0.653 -4.530 1.00 53.03 H new ATOM 0 HD22 LEU A 3 -3.106 -0.646 -3.107 1.00 53.03 H new ATOM 0 HD23 LEU A 3 -2.999 -1.968 -4.293 1.00 53.03 H new ATOM 56 N LYS A 4 -4.526 -5.729 -3.502 1.00 2.22 N ATOM 57 CA LYS A 4 -5.186 -6.439 -4.591 1.00 22.55 C ATOM 58 C LYS A 4 -6.689 -6.178 -4.579 1.00 24.12 C ATOM 59 O LYS A 4 -7.400 -6.630 -3.682 1.00 14.34 O ATOM 60 CB LYS A 4 -4.918 -7.942 -4.482 1.00 60.34 C ATOM 61 CG LYS A 4 -5.779 -8.782 -5.410 1.00 51.10 C ATOM 62 CD LYS A 4 -5.406 -10.253 -5.338 1.00 61.10 C ATOM 63 CE LYS A 4 -6.460 -11.060 -4.595 1.00 42.21 C ATOM 64 NZ LYS A 4 -6.457 -12.490 -5.009 1.00 71.20 N ATOM 0 H LYS A 4 -4.730 -6.098 -2.573 1.00 2.22 H new ATOM 0 HA LYS A 4 -4.779 -6.070 -5.532 1.00 22.55 H new ATOM 0 HB2 LYS A 4 -3.868 -8.132 -4.703 1.00 60.34 H new ATOM 0 HB3 LYS A 4 -5.090 -8.260 -3.454 1.00 60.34 H new ATOM 0 HG2 LYS A 4 -6.829 -8.659 -5.145 1.00 51.10 H new ATOM 0 HG3 LYS A 4 -5.665 -8.427 -6.434 1.00 51.10 H new ATOM 0 HD2 LYS A 4 -5.287 -10.649 -6.347 1.00 61.10 H new ATOM 0 HD3 LYS A 4 -4.444 -10.361 -4.838 1.00 61.10 H new ATOM 0 HE2 LYS A 4 -6.280 -10.992 -3.522 1.00 42.21 H new ATOM 0 HE3 LYS A 4 -7.444 -10.630 -4.781 1.00 42.21 H new ATOM 0 HZ1 LYS A 4 -7.189 -13.006 -4.480 1.00 71.20 H new ATOM 0 HZ2 LYS A 4 -6.654 -12.557 -6.028 1.00 71.20 H new ATOM 0 HZ3 LYS A 4 -5.526 -12.908 -4.808 1.00 71.20 H new ATOM 78 N VAL A 5 -7.165 -5.447 -5.582 1.00 35.44 N ATOM 79 CA VAL A 5 -8.584 -5.128 -5.688 1.00 32.32 C ATOM 80 C VAL A 5 -9.270 -6.012 -6.724 1.00 10.31 C ATOM 81 O VAL A 5 -8.846 -6.078 -7.878 1.00 33.21 O ATOM 82 CB VAL A 5 -8.800 -3.651 -6.065 1.00 55.22 C ATOM 83 CG1 VAL A 5 -8.305 -2.738 -4.954 1.00 42.32 C ATOM 84 CG2 VAL A 5 -8.106 -3.330 -7.380 1.00 1.10 C ATOM 0 H VAL A 5 -6.589 -5.065 -6.332 1.00 35.44 H new ATOM 0 HA VAL A 5 -9.025 -5.313 -4.708 1.00 32.32 H new ATOM 0 HB VAL A 5 -9.869 -3.479 -6.194 1.00 55.22 H new ATOM 0 HG11 VAL A 5 -8.466 -1.698 -5.239 1.00 42.32 H new ATOM 0 HG12 VAL A 5 -8.853 -2.952 -4.036 1.00 42.32 H new ATOM 0 HG13 VAL A 5 -7.241 -2.909 -4.790 1.00 42.32 H new ATOM 0 HG21 VAL A 5 -8.269 -2.282 -7.631 1.00 1.10 H new ATOM 0 HG22 VAL A 5 -7.037 -3.518 -7.282 1.00 1.10 H new ATOM 0 HG23 VAL A 5 -8.514 -3.960 -8.170 1.00 1.10 H new ATOM 94 N LYS A 6 -10.333 -6.689 -6.305 1.00 32.44 N ATOM 95 CA LYS A 6 -11.081 -7.569 -7.196 1.00 0.44 C ATOM 96 C LYS A 6 -12.565 -7.216 -7.188 1.00 71.51 C ATOM 97 O LYS A 6 -13.200 -7.178 -6.133 1.00 61.34 O ATOM 98 CB LYS A 6 -10.891 -9.030 -6.782 1.00 5.31 C ATOM 99 CG LYS A 6 -11.157 -9.284 -5.308 1.00 62.24 C ATOM 100 CD LYS A 6 -12.229 -10.343 -5.110 1.00 44.12 C ATOM 101 CE LYS A 6 -11.711 -11.731 -5.453 1.00 61.34 C ATOM 102 NZ LYS A 6 -12.812 -12.650 -5.856 1.00 44.23 N ATOM 0 H LYS A 6 -10.697 -6.645 -5.353 1.00 32.44 H new ATOM 0 HA LYS A 6 -10.698 -7.432 -8.207 1.00 0.44 H new ATOM 0 HB2 LYS A 6 -11.556 -9.657 -7.376 1.00 5.31 H new ATOM 0 HB3 LYS A 6 -9.871 -9.336 -7.017 1.00 5.31 H new ATOM 0 HG2 LYS A 6 -10.235 -9.602 -4.820 1.00 62.24 H new ATOM 0 HG3 LYS A 6 -11.468 -8.356 -4.828 1.00 62.24 H new ATOM 0 HD2 LYS A 6 -12.571 -10.327 -4.075 1.00 44.12 H new ATOM 0 HD3 LYS A 6 -13.091 -10.111 -5.735 1.00 44.12 H new ATOM 0 HE2 LYS A 6 -10.984 -11.658 -6.262 1.00 61.34 H new ATOM 0 HE3 LYS A 6 -11.188 -12.147 -4.592 1.00 61.34 H new ATOM 0 HZ1 LYS A 6 -12.418 -13.586 -6.082 1.00 44.23 H new ATOM 0 HZ2 LYS A 6 -13.492 -12.740 -5.075 1.00 44.23 H new ATOM 0 HZ3 LYS A 6 -13.295 -12.267 -6.693 1.00 44.23 H new ATOM 116 N THR A 7 -13.114 -6.961 -8.372 1.00 12.34 N ATOM 117 CA THR A 7 -14.523 -6.612 -8.501 1.00 74.20 C ATOM 118 C THR A 7 -15.391 -7.861 -8.611 1.00 3.01 C ATOM 119 O THR A 7 -14.883 -8.967 -8.797 1.00 34.21 O ATOM 120 CB THR A 7 -14.771 -5.719 -9.732 1.00 25.43 C ATOM 121 OG1 THR A 7 -13.525 -5.389 -10.355 1.00 44.50 O ATOM 122 CG2 THR A 7 -15.500 -4.444 -9.337 1.00 75.44 C ATOM 0 H THR A 7 -12.604 -6.990 -9.255 1.00 12.34 H new ATOM 0 HA THR A 7 -14.795 -6.061 -7.601 1.00 74.20 H new ATOM 0 HB THR A 7 -15.394 -6.271 -10.436 1.00 25.43 H new ATOM 0 HG1 THR A 7 -13.690 -4.823 -11.138 1.00 44.50 H new ATOM 0 HG21 THR A 7 -15.664 -3.830 -10.222 1.00 75.44 H new ATOM 0 HG22 THR A 7 -16.460 -4.698 -8.889 1.00 75.44 H new ATOM 0 HG23 THR A 7 -14.899 -3.889 -8.617 1.00 75.44 H new ATOM 130 N VAL A 8 -16.702 -7.677 -8.495 1.00 71.14 N ATOM 131 CA VAL A 8 -17.641 -8.789 -8.584 1.00 22.33 C ATOM 132 C VAL A 8 -17.647 -9.394 -9.983 1.00 44.33 C ATOM 133 O VAL A 8 -18.204 -10.469 -10.204 1.00 50.21 O ATOM 134 CB VAL A 8 -19.071 -8.347 -8.222 1.00 0.24 C ATOM 135 CG1 VAL A 8 -19.620 -7.400 -9.277 1.00 55.43 C ATOM 136 CG2 VAL A 8 -19.977 -9.558 -8.056 1.00 40.43 C ATOM 0 H VAL A 8 -17.138 -6.768 -8.339 1.00 71.14 H new ATOM 0 HA VAL A 8 -17.309 -9.541 -7.868 1.00 22.33 H new ATOM 0 HB VAL A 8 -19.039 -7.814 -7.272 1.00 0.24 H new ATOM 0 HG11 VAL A 8 -20.631 -7.098 -9.004 1.00 55.43 H new ATOM 0 HG12 VAL A 8 -18.983 -6.518 -9.341 1.00 55.43 H new ATOM 0 HG13 VAL A 8 -19.640 -7.904 -10.243 1.00 55.43 H new ATOM 0 HG21 VAL A 8 -20.984 -9.227 -7.800 1.00 40.43 H new ATOM 0 HG22 VAL A 8 -20.006 -10.121 -8.989 1.00 40.43 H new ATOM 0 HG23 VAL A 8 -19.591 -10.195 -7.260 1.00 40.43 H new ATOM 146 N SER A 9 -17.022 -8.695 -10.926 1.00 60.31 N ATOM 147 CA SER A 9 -16.958 -9.161 -12.306 1.00 63.34 C ATOM 148 C SER A 9 -15.743 -10.059 -12.521 1.00 4.23 C ATOM 149 O SER A 9 -15.376 -10.365 -13.654 1.00 61.13 O ATOM 150 CB SER A 9 -16.903 -7.972 -13.267 1.00 2.44 C ATOM 151 OG SER A 9 -18.202 -7.604 -13.698 1.00 64.21 O ATOM 0 H SER A 9 -16.553 -7.805 -10.759 1.00 60.31 H new ATOM 0 HA SER A 9 -17.858 -9.742 -12.509 1.00 63.34 H new ATOM 0 HB2 SER A 9 -16.426 -7.124 -12.775 1.00 2.44 H new ATOM 0 HB3 SER A 9 -16.288 -8.226 -14.130 1.00 2.44 H new ATOM 0 HG SER A 9 -18.140 -6.841 -14.310 1.00 64.21 H new ATOM 157 N ASN A 10 -15.122 -10.477 -11.422 1.00 14.31 N ATOM 158 CA ASN A 10 -13.948 -11.339 -11.488 1.00 41.23 C ATOM 159 C ASN A 10 -12.758 -10.592 -12.084 1.00 31.14 C ATOM 160 O ASN A 10 -11.963 -11.163 -12.831 1.00 53.20 O ATOM 161 CB ASN A 10 -14.251 -12.585 -12.322 1.00 20.41 C ATOM 162 CG ASN A 10 -13.774 -13.859 -11.652 1.00 22.35 C ATOM 163 OD1 ASN A 10 -12.947 -13.822 -10.740 1.00 32.10 O ATOM 164 ND2 ASN A 10 -14.294 -14.995 -12.102 1.00 22.22 N ATOM 0 H ASN A 10 -15.413 -10.232 -10.475 1.00 14.31 H new ATOM 0 HA ASN A 10 -13.693 -11.642 -10.473 1.00 41.23 H new ATOM 0 HB2 ASN A 10 -15.325 -12.650 -12.497 1.00 20.41 H new ATOM 0 HB3 ASN A 10 -13.775 -12.490 -13.298 1.00 20.41 H new ATOM 0 HD21 ASN A 10 -14.011 -15.884 -11.690 1.00 22.22 H new ATOM 0 HD22 ASN A 10 -14.977 -14.979 -12.860 1.00 22.22 H new ATOM 171 N LYS A 11 -12.641 -9.312 -11.747 1.00 31.23 N ATOM 172 CA LYS A 11 -11.548 -8.486 -12.245 1.00 60.12 C ATOM 173 C LYS A 11 -10.576 -8.135 -11.123 1.00 61.13 C ATOM 174 O LYS A 11 -10.731 -7.116 -10.450 1.00 42.14 O ATOM 175 CB LYS A 11 -12.097 -7.205 -12.878 1.00 62.42 C ATOM 176 CG LYS A 11 -12.783 -7.433 -14.214 1.00 43.21 C ATOM 177 CD LYS A 11 -13.094 -6.119 -14.912 1.00 32.42 C ATOM 178 CE LYS A 11 -12.968 -6.247 -16.422 1.00 51.02 C ATOM 179 NZ LYS A 11 -11.551 -6.418 -16.848 1.00 34.50 N ATOM 0 H LYS A 11 -13.291 -8.824 -11.130 1.00 31.23 H new ATOM 0 HA LYS A 11 -11.010 -9.057 -13.002 1.00 60.12 H new ATOM 0 HB2 LYS A 11 -12.805 -6.744 -12.189 1.00 62.42 H new ATOM 0 HB3 LYS A 11 -11.279 -6.498 -13.015 1.00 62.42 H new ATOM 0 HG2 LYS A 11 -12.144 -8.043 -14.853 1.00 43.21 H new ATOM 0 HG3 LYS A 11 -13.706 -7.992 -14.060 1.00 43.21 H new ATOM 0 HD2 LYS A 11 -14.104 -5.800 -14.656 1.00 32.42 H new ATOM 0 HD3 LYS A 11 -12.415 -5.346 -14.553 1.00 32.42 H new ATOM 0 HE2 LYS A 11 -13.555 -7.099 -16.765 1.00 51.02 H new ATOM 0 HE3 LYS A 11 -13.386 -5.360 -16.898 1.00 51.02 H new ATOM 0 HZ1 LYS A 11 -11.451 -6.134 -17.843 1.00 34.50 H new ATOM 0 HZ2 LYS A 11 -10.936 -5.825 -16.255 1.00 34.50 H new ATOM 0 HZ3 LYS A 11 -11.275 -7.415 -16.743 1.00 34.50 H new ATOM 193 N VAL A 12 -9.573 -8.985 -10.928 1.00 63.00 N ATOM 194 CA VAL A 12 -8.574 -8.763 -9.889 1.00 62.04 C ATOM 195 C VAL A 12 -7.367 -8.011 -10.439 1.00 51.13 C ATOM 196 O VAL A 12 -6.848 -8.344 -11.505 1.00 31.41 O ATOM 197 CB VAL A 12 -8.099 -10.093 -9.274 1.00 12.33 C ATOM 198 CG1 VAL A 12 -7.232 -9.836 -8.051 1.00 2.41 C ATOM 199 CG2 VAL A 12 -9.290 -10.970 -8.918 1.00 12.30 C ATOM 0 H VAL A 12 -9.431 -9.834 -11.476 1.00 63.00 H new ATOM 0 HA VAL A 12 -9.051 -8.162 -9.114 1.00 62.04 H new ATOM 0 HB VAL A 12 -7.496 -10.620 -10.013 1.00 12.33 H new ATOM 0 HG11 VAL A 12 -6.906 -10.787 -7.630 1.00 2.41 H new ATOM 0 HG12 VAL A 12 -6.360 -9.249 -8.340 1.00 2.41 H new ATOM 0 HG13 VAL A 12 -7.808 -9.288 -7.305 1.00 2.41 H new ATOM 0 HG21 VAL A 12 -8.936 -11.906 -8.485 1.00 12.30 H new ATOM 0 HG22 VAL A 12 -9.921 -10.451 -8.196 1.00 12.30 H new ATOM 0 HG23 VAL A 12 -9.867 -11.182 -9.818 1.00 12.30 H new ATOM 209 N ILE A 13 -6.925 -6.995 -9.705 1.00 74.14 N ATOM 210 CA ILE A 13 -5.778 -6.197 -10.119 1.00 53.51 C ATOM 211 C ILE A 13 -4.830 -5.950 -8.950 1.00 52.45 C ATOM 212 O ILE A 13 -5.197 -5.308 -7.966 1.00 73.43 O ATOM 213 CB ILE A 13 -6.217 -4.841 -10.704 1.00 75.44 C ATOM 214 CG1 ILE A 13 -7.255 -5.051 -11.809 1.00 51.42 C ATOM 215 CG2 ILE A 13 -5.013 -4.080 -11.238 1.00 55.13 C ATOM 216 CD1 ILE A 13 -6.735 -5.851 -12.983 1.00 12.02 C ATOM 0 H ILE A 13 -7.344 -6.705 -8.821 1.00 74.14 H new ATOM 0 HA ILE A 13 -5.260 -6.766 -10.891 1.00 53.51 H new ATOM 0 HB ILE A 13 -6.673 -4.249 -9.910 1.00 75.44 H new ATOM 0 HG12 ILE A 13 -8.123 -5.560 -11.389 1.00 51.42 H new ATOM 0 HG13 ILE A 13 -7.597 -4.079 -12.165 1.00 51.42 H new ATOM 0 HG21 ILE A 13 -5.339 -3.124 -11.648 1.00 55.13 H new ATOM 0 HG22 ILE A 13 -4.305 -3.905 -10.428 1.00 55.13 H new ATOM 0 HG23 ILE A 13 -4.531 -4.665 -12.021 1.00 55.13 H new ATOM 0 HD11 ILE A 13 -7.524 -5.960 -13.727 1.00 12.02 H new ATOM 0 HD12 ILE A 13 -5.886 -5.333 -13.428 1.00 12.02 H new ATOM 0 HD13 ILE A 13 -6.420 -6.837 -12.641 1.00 12.02 H new ATOM 228 N GLN A 14 -3.609 -6.462 -9.068 1.00 13.42 N ATOM 229 CA GLN A 14 -2.608 -6.295 -8.021 1.00 30.30 C ATOM 230 C GLN A 14 -1.590 -5.227 -8.406 1.00 61.13 C ATOM 231 O GLN A 14 -0.851 -5.382 -9.379 1.00 71.51 O ATOM 232 CB GLN A 14 -1.896 -7.622 -7.752 1.00 22.02 C ATOM 233 CG GLN A 14 -1.265 -7.705 -6.371 1.00 43.43 C ATOM 234 CD GLN A 14 0.078 -8.409 -6.384 1.00 53.34 C ATOM 235 OE1 GLN A 14 0.240 -9.472 -5.785 1.00 71.11 O ATOM 236 NE2 GLN A 14 1.050 -7.818 -7.070 1.00 74.11 N ATOM 0 H GLN A 14 -3.290 -6.995 -9.877 1.00 13.42 H new ATOM 0 HA GLN A 14 -3.118 -5.973 -7.113 1.00 30.30 H new ATOM 0 HB2 GLN A 14 -2.610 -8.438 -7.866 1.00 22.02 H new ATOM 0 HB3 GLN A 14 -1.122 -7.769 -8.505 1.00 22.02 H new ATOM 0 HG2 GLN A 14 -1.139 -6.698 -5.972 1.00 43.43 H new ATOM 0 HG3 GLN A 14 -1.941 -8.233 -5.698 1.00 43.43 H new ATOM 0 HE21 GLN A 14 0.871 -6.937 -7.552 1.00 74.11 H new ATOM 0 HE22 GLN A 14 1.975 -8.245 -7.115 1.00 74.11 H new ATOM 245 N ILE A 15 -1.557 -4.144 -7.638 1.00 10.32 N ATOM 246 CA ILE A 15 -0.629 -3.050 -7.899 1.00 21.51 C ATOM 247 C ILE A 15 0.402 -2.926 -6.782 1.00 51.02 C ATOM 248 O ILE A 15 0.142 -3.296 -5.637 1.00 34.42 O ATOM 249 CB ILE A 15 -1.369 -1.708 -8.051 1.00 64.34 C ATOM 250 CG1 ILE A 15 -2.312 -1.483 -6.868 1.00 22.52 C ATOM 251 CG2 ILE A 15 -2.139 -1.674 -9.363 1.00 45.12 C ATOM 252 CD1 ILE A 15 -3.696 -2.055 -7.081 1.00 61.21 C ATOM 0 H ILE A 15 -2.162 -4.000 -6.830 1.00 10.32 H new ATOM 0 HA ILE A 15 -0.121 -3.283 -8.835 1.00 21.51 H new ATOM 0 HB ILE A 15 -0.633 -0.904 -8.062 1.00 64.34 H new ATOM 0 HG12 ILE A 15 -1.876 -1.932 -5.976 1.00 22.52 H new ATOM 0 HG13 ILE A 15 -2.395 -0.413 -6.679 1.00 22.52 H new ATOM 0 HG21 ILE A 15 -2.657 -0.719 -9.456 1.00 45.12 H new ATOM 0 HG22 ILE A 15 -1.445 -1.793 -10.195 1.00 45.12 H new ATOM 0 HG23 ILE A 15 -2.867 -2.485 -9.379 1.00 45.12 H new ATOM 0 HD11 ILE A 15 -4.310 -1.858 -6.202 1.00 61.21 H new ATOM 0 HD12 ILE A 15 -4.152 -1.589 -7.954 1.00 61.21 H new ATOM 0 HD13 ILE A 15 -3.624 -3.131 -7.240 1.00 61.21 H new ATOM 264 N THR A 16 1.575 -2.400 -7.122 1.00 74.05 N ATOM 265 CA THR A 16 2.645 -2.225 -6.149 1.00 62.42 C ATOM 266 C THR A 16 3.149 -0.787 -6.138 1.00 51.31 C ATOM 267 O THR A 16 4.351 -0.539 -6.236 1.00 54.12 O ATOM 268 CB THR A 16 3.828 -3.169 -6.439 1.00 74.04 C ATOM 269 OG1 THR A 16 4.531 -2.728 -7.606 1.00 63.20 O ATOM 270 CG2 THR A 16 3.343 -4.597 -6.642 1.00 44.22 C ATOM 0 H THR A 16 1.807 -2.088 -8.065 1.00 74.05 H new ATOM 0 HA THR A 16 2.226 -2.468 -5.172 1.00 62.42 H new ATOM 0 HB THR A 16 4.500 -3.149 -5.581 1.00 74.04 H new ATOM 0 HG1 THR A 16 4.817 -1.799 -7.484 1.00 63.20 H new ATOM 0 HG21 THR A 16 4.195 -5.245 -6.845 1.00 44.22 H new ATOM 0 HG22 THR A 16 2.833 -4.940 -5.742 1.00 44.22 H new ATOM 0 HG23 THR A 16 2.653 -4.630 -7.485 1.00 44.22 H new ATOM 278 N SER A 17 2.223 0.159 -6.017 1.00 75.22 N ATOM 279 CA SER A 17 2.573 1.574 -5.996 1.00 40.23 C ATOM 280 C SER A 17 1.354 2.431 -5.666 1.00 64.24 C ATOM 281 O SER A 17 0.688 2.953 -6.561 1.00 14.44 O ATOM 282 CB SER A 17 3.157 1.997 -7.346 1.00 23.44 C ATOM 283 OG SER A 17 3.058 3.398 -7.528 1.00 54.32 O ATOM 0 H SER A 17 1.224 -0.029 -5.932 1.00 75.22 H new ATOM 0 HA SER A 17 3.323 1.725 -5.220 1.00 40.23 H new ATOM 0 HB2 SER A 17 4.202 1.692 -7.405 1.00 23.44 H new ATOM 0 HB3 SER A 17 2.630 1.484 -8.151 1.00 23.44 H new ATOM 0 HG SER A 17 2.116 3.667 -7.490 1.00 54.32 H new ATOM 289 N LEU A 18 1.069 2.570 -4.376 1.00 41.35 N ATOM 290 CA LEU A 18 -0.069 3.363 -3.926 1.00 54.51 C ATOM 291 C LEU A 18 0.394 4.678 -3.307 1.00 52.53 C ATOM 292 O LEU A 18 1.503 4.774 -2.782 1.00 25.42 O ATOM 293 CB LEU A 18 -0.897 2.573 -2.912 1.00 34.05 C ATOM 294 CG LEU A 18 -2.200 1.967 -3.435 1.00 12.21 C ATOM 295 CD1 LEU A 18 -3.258 3.046 -3.609 1.00 72.32 C ATOM 296 CD2 LEU A 18 -1.959 1.237 -4.748 1.00 32.21 C ATOM 0 H LEU A 18 1.610 2.144 -3.624 1.00 41.35 H new ATOM 0 HA LEU A 18 -0.688 3.589 -4.794 1.00 54.51 H new ATOM 0 HB2 LEU A 18 -0.278 1.767 -2.517 1.00 34.05 H new ATOM 0 HB3 LEU A 18 -1.136 3.231 -2.076 1.00 34.05 H new ATOM 0 HG LEU A 18 -2.563 1.246 -2.703 1.00 12.21 H new ATOM 0 HD11 LEU A 18 -4.178 2.596 -3.982 1.00 72.32 H new ATOM 0 HD12 LEU A 18 -3.451 3.525 -2.649 1.00 72.32 H new ATOM 0 HD13 LEU A 18 -2.904 3.791 -4.321 1.00 72.32 H new ATOM 0 HD21 LEU A 18 -2.897 0.812 -5.106 1.00 32.21 H new ATOM 0 HD22 LEU A 18 -1.573 1.938 -5.488 1.00 32.21 H new ATOM 0 HD23 LEU A 18 -1.235 0.438 -4.592 1.00 32.21 H new ATOM 308 N THR A 19 -0.465 5.692 -3.371 1.00 62.42 N ATOM 309 CA THR A 19 -0.145 7.001 -2.817 1.00 23.24 C ATOM 310 C THR A 19 -0.398 7.038 -1.314 1.00 2.21 C ATOM 311 O THR A 19 -0.857 6.058 -0.727 1.00 65.34 O ATOM 312 CB THR A 19 -0.968 8.114 -3.492 1.00 61.42 C ATOM 313 OG1 THR A 19 -1.468 7.656 -4.753 1.00 71.15 O ATOM 314 CG2 THR A 19 -0.123 9.362 -3.699 1.00 35.03 C ATOM 0 H THR A 19 -1.388 5.631 -3.801 1.00 62.42 H new ATOM 0 HA THR A 19 0.914 7.175 -3.010 1.00 23.24 H new ATOM 0 HB THR A 19 -1.804 8.365 -2.839 1.00 61.42 H new ATOM 0 HG1 THR A 19 -1.880 8.404 -5.233 1.00 71.15 H new ATOM 0 HG21 THR A 19 -0.726 10.134 -4.177 1.00 35.03 H new ATOM 0 HG22 THR A 19 0.233 9.725 -2.735 1.00 35.03 H new ATOM 0 HG23 THR A 19 0.730 9.123 -4.334 1.00 35.03 H new ATOM 322 N ASP A 20 -0.097 8.175 -0.696 1.00 41.12 N ATOM 323 CA ASP A 20 -0.294 8.341 0.739 1.00 22.33 C ATOM 324 C ASP A 20 -1.243 9.499 1.027 1.00 14.34 C ATOM 325 O ASP A 20 -1.436 9.885 2.181 1.00 43.35 O ATOM 326 CB ASP A 20 1.047 8.579 1.435 1.00 21.24 C ATOM 327 CG ASP A 20 2.046 9.286 0.541 1.00 23.01 C ATOM 328 OD1 ASP A 20 2.682 8.607 -0.292 1.00 23.41 O ATOM 329 OD2 ASP A 20 2.192 10.519 0.673 1.00 14.05 O ATOM 0 H ASP A 20 0.284 8.996 -1.167 1.00 41.12 H new ATOM 0 HA ASP A 20 -0.739 7.425 1.128 1.00 22.33 H new ATOM 0 HB2 ASP A 20 0.886 9.172 2.335 1.00 21.24 H new ATOM 0 HB3 ASP A 20 1.462 7.623 1.754 1.00 21.24 H new ATOM 334 N ASP A 21 -1.833 10.050 -0.028 1.00 13.33 N ATOM 335 CA ASP A 21 -2.763 11.165 0.112 1.00 40.24 C ATOM 336 C ASP A 21 -4.206 10.671 0.120 1.00 53.32 C ATOM 337 O ASP A 21 -4.986 11.017 1.007 1.00 63.33 O ATOM 338 CB ASP A 21 -2.561 12.170 -1.023 1.00 52.25 C ATOM 339 CG ASP A 21 -2.051 13.509 -0.527 1.00 54.15 C ATOM 340 OD1 ASP A 21 -2.568 13.998 0.500 1.00 62.55 O ATOM 341 OD2 ASP A 21 -1.135 14.068 -1.166 1.00 13.02 O ATOM 0 H ASP A 21 -1.684 9.743 -0.989 1.00 13.33 H new ATOM 0 HA ASP A 21 -2.561 11.657 1.063 1.00 40.24 H new ATOM 0 HB2 ASP A 21 -1.855 11.761 -1.745 1.00 52.25 H new ATOM 0 HB3 ASP A 21 -3.505 12.316 -1.548 1.00 52.25 H new ATOM 346 N ASN A 22 -4.555 9.862 -0.875 1.00 51.01 N ATOM 347 CA ASN A 22 -5.906 9.322 -0.983 1.00 65.14 C ATOM 348 C ASN A 22 -5.894 7.801 -0.863 1.00 53.05 C ATOM 349 O ASN A 22 -6.733 7.214 -0.178 1.00 42.42 O ATOM 350 CB ASN A 22 -6.537 9.735 -2.314 1.00 53.12 C ATOM 351 CG ASN A 22 -7.079 11.151 -2.282 1.00 13.10 C ATOM 352 OD1 ASN A 22 -7.987 11.463 -1.511 1.00 71.30 O ATOM 353 ND2 ASN A 22 -6.523 12.016 -3.122 1.00 14.50 N ATOM 0 H ASN A 22 -3.922 9.566 -1.618 1.00 51.01 H new ATOM 0 HA ASN A 22 -6.501 9.729 -0.165 1.00 65.14 H new ATOM 0 HB2 ASN A 22 -5.794 9.651 -3.107 1.00 53.12 H new ATOM 0 HB3 ASN A 22 -7.344 9.045 -2.560 1.00 53.12 H new ATOM 0 HD21 ASN A 22 -6.846 12.983 -3.146 1.00 14.50 H new ATOM 0 HD22 ASN A 22 -5.773 11.713 -3.743 1.00 14.50 H new ATOM 360 N THR A 23 -4.938 7.167 -1.535 1.00 23.25 N ATOM 361 CA THR A 23 -4.817 5.715 -1.504 1.00 62.22 C ATOM 362 C THR A 23 -6.069 5.047 -2.062 1.00 3.12 C ATOM 363 O THR A 23 -6.107 4.656 -3.229 1.00 14.31 O ATOM 364 CB THR A 23 -4.569 5.201 -0.073 1.00 51.52 C ATOM 365 OG1 THR A 23 -3.305 5.674 0.405 1.00 43.22 O ATOM 366 CG2 THR A 23 -4.597 3.681 -0.031 1.00 45.03 C ATOM 0 H THR A 23 -4.236 7.637 -2.107 1.00 23.25 H new ATOM 0 HA THR A 23 -3.961 5.456 -2.128 1.00 62.22 H new ATOM 0 HB THR A 23 -5.364 5.580 0.569 1.00 51.52 H new ATOM 0 HG1 THR A 23 -3.272 5.591 1.381 1.00 43.22 H new ATOM 0 HG21 THR A 23 -4.419 3.342 0.990 1.00 45.03 H new ATOM 0 HG22 THR A 23 -5.571 3.326 -0.367 1.00 45.03 H new ATOM 0 HG23 THR A 23 -3.821 3.285 -0.685 1.00 45.03 H new ATOM 374 N ILE A 24 -7.090 4.920 -1.221 1.00 61.04 N ATOM 375 CA ILE A 24 -8.344 4.301 -1.632 1.00 70.10 C ATOM 376 C ILE A 24 -9.113 5.202 -2.592 1.00 73.21 C ATOM 377 O ILE A 24 -9.553 4.762 -3.654 1.00 43.53 O ATOM 378 CB ILE A 24 -9.237 3.981 -0.419 1.00 74.51 C ATOM 379 CG1 ILE A 24 -8.466 3.143 0.603 1.00 72.32 C ATOM 380 CG2 ILE A 24 -10.497 3.253 -0.866 1.00 43.32 C ATOM 381 CD1 ILE A 24 -7.850 3.963 1.714 1.00 24.44 C ATOM 0 H ILE A 24 -7.073 5.237 -0.252 1.00 61.04 H new ATOM 0 HA ILE A 24 -8.086 3.371 -2.139 1.00 70.10 H new ATOM 0 HB ILE A 24 -9.530 4.918 0.054 1.00 74.51 H new ATOM 0 HG12 ILE A 24 -9.140 2.405 1.038 1.00 72.32 H new ATOM 0 HG13 ILE A 24 -7.678 2.592 0.089 1.00 72.32 H new ATOM 0 HG21 ILE A 24 -11.118 3.034 0.003 1.00 43.32 H new ATOM 0 HG22 ILE A 24 -11.054 3.882 -1.561 1.00 43.32 H new ATOM 0 HG23 ILE A 24 -10.223 2.321 -1.361 1.00 43.32 H new ATOM 0 HD11 ILE A 24 -7.319 3.304 2.401 1.00 24.44 H new ATOM 0 HD12 ILE A 24 -7.151 4.684 1.290 1.00 24.44 H new ATOM 0 HD13 ILE A 24 -8.635 4.493 2.253 1.00 24.44 H new ATOM 393 N ALA A 25 -9.271 6.465 -2.211 1.00 41.32 N ATOM 394 CA ALA A 25 -9.984 7.430 -3.040 1.00 24.31 C ATOM 395 C ALA A 25 -9.338 7.555 -4.416 1.00 21.53 C ATOM 396 O ALA A 25 -10.029 7.670 -5.427 1.00 11.30 O ATOM 397 CB ALA A 25 -10.029 8.786 -2.351 1.00 71.40 C ATOM 0 H ALA A 25 -8.915 6.844 -1.334 1.00 41.32 H new ATOM 0 HA ALA A 25 -11.004 7.070 -3.178 1.00 24.31 H new ATOM 0 HB1 ALA A 25 -10.564 9.497 -2.981 1.00 71.40 H new ATOM 0 HB2 ALA A 25 -10.542 8.691 -1.394 1.00 71.40 H new ATOM 0 HB3 ALA A 25 -9.013 9.143 -2.184 1.00 71.40 H new ATOM 403 N GLU A 26 -8.009 7.531 -4.445 1.00 70.10 N ATOM 404 CA GLU A 26 -7.271 7.643 -5.698 1.00 12.23 C ATOM 405 C GLU A 26 -7.462 6.395 -6.555 1.00 42.42 C ATOM 406 O GLU A 26 -7.596 6.482 -7.777 1.00 33.05 O ATOM 407 CB GLU A 26 -5.782 7.862 -5.421 1.00 14.44 C ATOM 408 CG GLU A 26 -4.932 7.925 -6.678 1.00 61.52 C ATOM 409 CD GLU A 26 -4.230 9.259 -6.843 1.00 31.44 C ATOM 410 OE1 GLU A 26 -4.919 10.300 -6.800 1.00 61.33 O ATOM 411 OE2 GLU A 26 -2.993 9.262 -7.014 1.00 33.13 O ATOM 0 H GLU A 26 -7.422 7.435 -3.616 1.00 70.10 H new ATOM 0 HA GLU A 26 -7.661 8.501 -6.245 1.00 12.23 H new ATOM 0 HB2 GLU A 26 -5.658 8.789 -4.862 1.00 14.44 H new ATOM 0 HB3 GLU A 26 -5.417 7.055 -4.786 1.00 14.44 H new ATOM 0 HG2 GLU A 26 -4.188 7.129 -6.649 1.00 61.52 H new ATOM 0 HG3 GLU A 26 -5.563 7.741 -7.548 1.00 61.52 H new ATOM 418 N LEU A 27 -7.472 5.236 -5.907 1.00 63.34 N ATOM 419 CA LEU A 27 -7.645 3.969 -6.609 1.00 72.33 C ATOM 420 C LEU A 27 -9.042 3.868 -7.214 1.00 30.22 C ATOM 421 O LEU A 27 -9.199 3.546 -8.392 1.00 31.54 O ATOM 422 CB LEU A 27 -7.404 2.797 -5.655 1.00 52.44 C ATOM 423 CG LEU A 27 -6.255 1.858 -6.023 1.00 75.43 C ATOM 424 CD1 LEU A 27 -6.615 1.028 -7.246 1.00 34.21 C ATOM 425 CD2 LEU A 27 -4.978 2.647 -6.270 1.00 13.44 C ATOM 0 H LEU A 27 -7.362 5.147 -4.897 1.00 63.34 H new ATOM 0 HA LEU A 27 -6.915 3.927 -7.417 1.00 72.33 H new ATOM 0 HB2 LEU A 27 -7.214 3.198 -4.659 1.00 52.44 H new ATOM 0 HB3 LEU A 27 -8.321 2.210 -5.593 1.00 52.44 H new ATOM 0 HG LEU A 27 -6.083 1.181 -5.186 1.00 75.43 H new ATOM 0 HD11 LEU A 27 -5.785 0.366 -7.493 1.00 34.21 H new ATOM 0 HD12 LEU A 27 -7.503 0.433 -7.033 1.00 34.21 H new ATOM 0 HD13 LEU A 27 -6.815 1.690 -8.089 1.00 34.21 H new ATOM 0 HD21 LEU A 27 -4.171 1.962 -6.531 1.00 13.44 H new ATOM 0 HD22 LEU A 27 -5.137 3.349 -7.089 1.00 13.44 H new ATOM 0 HD23 LEU A 27 -4.710 3.197 -5.368 1.00 13.44 H new ATOM 437 N LYS A 28 -10.055 4.148 -6.400 1.00 63.33 N ATOM 438 CA LYS A 28 -11.439 4.092 -6.854 1.00 52.53 C ATOM 439 C LYS A 28 -11.704 5.149 -7.922 1.00 14.44 C ATOM 440 O LYS A 28 -12.395 4.891 -8.907 1.00 3.34 O ATOM 441 CB LYS A 28 -12.393 4.293 -5.674 1.00 42.43 C ATOM 442 CG LYS A 28 -12.279 5.663 -5.027 1.00 33.31 C ATOM 443 CD LYS A 28 -13.138 5.762 -3.777 1.00 60.42 C ATOM 444 CE LYS A 28 -14.618 5.641 -4.107 1.00 21.42 C ATOM 445 NZ LYS A 28 -15.090 6.766 -4.960 1.00 61.24 N ATOM 0 H LYS A 28 -9.943 4.416 -5.422 1.00 63.33 H new ATOM 0 HA LYS A 28 -11.613 3.108 -7.290 1.00 52.53 H new ATOM 0 HB2 LYS A 28 -13.417 4.146 -6.016 1.00 42.43 H new ATOM 0 HB3 LYS A 28 -12.195 3.528 -4.923 1.00 42.43 H new ATOM 0 HG2 LYS A 28 -11.238 5.860 -4.771 1.00 33.31 H new ATOM 0 HG3 LYS A 28 -12.582 6.430 -5.740 1.00 33.31 H new ATOM 0 HD2 LYS A 28 -12.855 4.976 -3.076 1.00 60.42 H new ATOM 0 HD3 LYS A 28 -12.951 6.714 -3.280 1.00 60.42 H new ATOM 0 HE2 LYS A 28 -14.800 4.696 -4.619 1.00 21.42 H new ATOM 0 HE3 LYS A 28 -15.195 5.619 -3.183 1.00 21.42 H new ATOM 0 HZ1 LYS A 28 -16.130 6.773 -4.982 1.00 61.24 H new ATOM 0 HZ2 LYS A 28 -14.746 7.666 -4.569 1.00 61.24 H new ATOM 0 HZ3 LYS A 28 -14.724 6.646 -5.926 1.00 61.24 H new ATOM 459 N GLY A 29 -11.150 6.341 -7.719 1.00 63.22 N ATOM 460 CA GLY A 29 -11.337 7.418 -8.673 1.00 52.13 C ATOM 461 C GLY A 29 -10.646 7.149 -9.995 1.00 62.31 C ATOM 462 O GLY A 29 -11.135 7.546 -11.053 1.00 20.21 O ATOM 0 H GLY A 29 -10.575 6.579 -6.911 1.00 63.22 H new ATOM 0 HA2 GLY A 29 -12.403 7.564 -8.847 1.00 52.13 H new ATOM 0 HA3 GLY A 29 -10.954 8.346 -8.248 1.00 52.13 H new ATOM 466 N LYS A 30 -9.503 6.473 -9.936 1.00 52.04 N ATOM 467 CA LYS A 30 -8.742 6.151 -11.137 1.00 61.34 C ATOM 468 C LYS A 30 -9.412 5.026 -11.921 1.00 5.13 C ATOM 469 O LYS A 30 -9.377 5.007 -13.152 1.00 25.12 O ATOM 470 CB LYS A 30 -7.313 5.748 -10.767 1.00 64.12 C ATOM 471 CG LYS A 30 -6.398 6.930 -10.497 1.00 12.12 C ATOM 472 CD LYS A 30 -5.334 7.070 -11.573 1.00 35.02 C ATOM 473 CE LYS A 30 -4.730 8.466 -11.581 1.00 31.30 C ATOM 474 NZ LYS A 30 -3.898 8.703 -12.793 1.00 22.41 N ATOM 0 H LYS A 30 -9.084 6.138 -9.069 1.00 52.04 H new ATOM 0 HA LYS A 30 -8.711 7.040 -11.767 1.00 61.34 H new ATOM 0 HB2 LYS A 30 -7.341 5.112 -9.882 1.00 64.12 H new ATOM 0 HB3 LYS A 30 -6.892 5.151 -11.576 1.00 64.12 H new ATOM 0 HG2 LYS A 30 -6.989 7.845 -10.447 1.00 12.12 H new ATOM 0 HG3 LYS A 30 -5.920 6.806 -9.525 1.00 12.12 H new ATOM 0 HD2 LYS A 30 -4.548 6.333 -11.407 1.00 35.02 H new ATOM 0 HD3 LYS A 30 -5.771 6.856 -12.548 1.00 35.02 H new ATOM 0 HE2 LYS A 30 -5.528 9.207 -11.538 1.00 31.30 H new ATOM 0 HE3 LYS A 30 -4.119 8.603 -10.689 1.00 31.30 H new ATOM 0 HZ1 LYS A 30 -3.504 9.665 -12.761 1.00 22.41 H new ATOM 0 HZ2 LYS A 30 -3.121 8.012 -12.822 1.00 22.41 H new ATOM 0 HZ3 LYS A 30 -4.486 8.598 -13.644 1.00 22.41 H new ATOM 488 N LEU A 31 -10.022 4.092 -11.200 1.00 61.33 N ATOM 489 CA LEU A 31 -10.702 2.964 -11.828 1.00 64.12 C ATOM 490 C LEU A 31 -11.956 3.425 -12.564 1.00 22.02 C ATOM 491 O LEU A 31 -12.223 2.993 -13.684 1.00 72.24 O ATOM 492 CB LEU A 31 -11.070 1.915 -10.777 1.00 4.30 C ATOM 493 CG LEU A 31 -11.231 0.483 -11.286 1.00 71.50 C ATOM 494 CD1 LEU A 31 -11.373 -0.485 -10.121 1.00 43.03 C ATOM 495 CD2 LEU A 31 -12.431 0.379 -12.217 1.00 3.24 C ATOM 0 H LEU A 31 -10.060 4.093 -10.181 1.00 61.33 H new ATOM 0 HA LEU A 31 -10.021 2.519 -12.553 1.00 64.12 H new ATOM 0 HB2 LEU A 31 -10.302 1.920 -10.003 1.00 4.30 H new ATOM 0 HB3 LEU A 31 -12.003 2.218 -10.302 1.00 4.30 H new ATOM 0 HG LEU A 31 -10.336 0.215 -11.848 1.00 71.50 H new ATOM 0 HD11 LEU A 31 -11.487 -1.500 -10.503 1.00 43.03 H new ATOM 0 HD12 LEU A 31 -10.484 -0.431 -9.493 1.00 43.03 H new ATOM 0 HD13 LEU A 31 -12.250 -0.219 -9.532 1.00 43.03 H new ATOM 0 HD21 LEU A 31 -12.530 -0.648 -12.570 1.00 3.24 H new ATOM 0 HD22 LEU A 31 -13.335 0.667 -11.680 1.00 3.24 H new ATOM 0 HD23 LEU A 31 -12.289 1.043 -13.069 1.00 3.24 H new ATOM 507 N GLU A 32 -12.720 4.306 -11.926 1.00 4.42 N ATOM 508 CA GLU A 32 -13.945 4.827 -12.521 1.00 63.22 C ATOM 509 C GLU A 32 -13.631 5.715 -13.722 1.00 15.45 C ATOM 510 O GLU A 32 -14.318 5.662 -14.741 1.00 51.52 O ATOM 511 CB GLU A 32 -14.747 5.616 -11.484 1.00 61.22 C ATOM 512 CG GLU A 32 -13.988 6.792 -10.894 1.00 42.42 C ATOM 513 CD GLU A 32 -14.767 7.501 -9.803 1.00 41.44 C ATOM 514 OE1 GLU A 32 -15.347 6.808 -8.942 1.00 3.54 O ATOM 515 OE2 GLU A 32 -14.796 8.750 -9.812 1.00 31.01 O ATOM 0 H GLU A 32 -12.512 4.674 -10.998 1.00 4.42 H new ATOM 0 HA GLU A 32 -14.541 3.981 -12.863 1.00 63.22 H new ATOM 0 HB2 GLU A 32 -15.663 5.981 -11.947 1.00 61.22 H new ATOM 0 HB3 GLU A 32 -15.043 4.944 -10.678 1.00 61.22 H new ATOM 0 HG2 GLU A 32 -13.039 6.441 -10.488 1.00 42.42 H new ATOM 0 HG3 GLU A 32 -13.752 7.502 -11.687 1.00 42.42 H new ATOM 522 N GLU A 33 -12.590 6.531 -13.591 1.00 11.43 N ATOM 523 CA GLU A 33 -12.187 7.432 -14.664 1.00 0.41 C ATOM 524 C GLU A 33 -11.630 6.651 -15.850 1.00 70.32 C ATOM 525 O GLU A 33 -11.812 7.039 -17.004 1.00 15.00 O ATOM 526 CB GLU A 33 -11.140 8.428 -14.158 1.00 74.43 C ATOM 527 CG GLU A 33 -11.147 9.750 -14.906 1.00 11.41 C ATOM 528 CD GLU A 33 -12.301 10.645 -14.498 1.00 0.55 C ATOM 529 OE1 GLU A 33 -12.638 10.669 -13.295 1.00 61.34 O ATOM 530 OE2 GLU A 33 -12.867 11.323 -15.381 1.00 42.10 O ATOM 0 H GLU A 33 -12.011 6.587 -12.753 1.00 11.43 H new ATOM 0 HA GLU A 33 -13.070 7.980 -14.994 1.00 0.41 H new ATOM 0 HB2 GLU A 33 -11.314 8.618 -13.099 1.00 74.43 H new ATOM 0 HB3 GLU A 33 -10.151 7.977 -14.243 1.00 74.43 H new ATOM 0 HG2 GLU A 33 -10.207 10.271 -14.725 1.00 11.41 H new ATOM 0 HG3 GLU A 33 -11.203 9.557 -15.977 1.00 11.41 H new ATOM 537 N SER A 34 -10.949 5.547 -15.557 1.00 54.22 N ATOM 538 CA SER A 34 -10.362 4.713 -16.598 1.00 65.54 C ATOM 539 C SER A 34 -11.445 4.113 -17.491 1.00 4.55 C ATOM 540 O SER A 34 -11.326 4.117 -18.715 1.00 71.33 O ATOM 541 CB SER A 34 -9.524 3.595 -15.974 1.00 1.24 C ATOM 542 OG SER A 34 -8.902 2.805 -16.972 1.00 21.21 O ATOM 0 H SER A 34 -10.791 5.210 -14.607 1.00 54.22 H new ATOM 0 HA SER A 34 -9.717 5.343 -17.211 1.00 65.54 H new ATOM 0 HB2 SER A 34 -8.765 4.026 -15.322 1.00 1.24 H new ATOM 0 HB3 SER A 34 -10.159 2.965 -15.351 1.00 1.24 H new ATOM 0 HG SER A 34 -8.372 2.099 -16.547 1.00 21.21 H new ATOM 548 N GLU A 35 -12.500 3.600 -16.866 1.00 1.10 N ATOM 549 CA GLU A 35 -13.604 2.996 -17.603 1.00 41.51 C ATOM 550 C GLU A 35 -14.603 4.059 -18.052 1.00 71.45 C ATOM 551 O GLU A 35 -15.552 3.766 -18.779 1.00 11.13 O ATOM 552 CB GLU A 35 -14.310 1.949 -16.740 1.00 71.20 C ATOM 553 CG GLU A 35 -13.603 0.604 -16.715 1.00 0.24 C ATOM 554 CD GLU A 35 -14.046 -0.309 -17.841 1.00 65.12 C ATOM 555 OE1 GLU A 35 -15.247 -0.289 -18.183 1.00 23.41 O ATOM 556 OE2 GLU A 35 -13.192 -1.043 -18.381 1.00 22.33 O ATOM 0 H GLU A 35 -12.614 3.590 -15.852 1.00 1.10 H new ATOM 0 HA GLU A 35 -13.194 2.510 -18.488 1.00 41.51 H new ATOM 0 HB2 GLU A 35 -14.392 2.326 -15.721 1.00 71.20 H new ATOM 0 HB3 GLU A 35 -15.325 1.809 -17.111 1.00 71.20 H new ATOM 0 HG2 GLU A 35 -12.527 0.762 -16.783 1.00 0.24 H new ATOM 0 HG3 GLU A 35 -13.794 0.115 -15.760 1.00 0.24 H new ATOM 563 N GLY A 36 -14.382 5.294 -17.614 1.00 11.31 N ATOM 564 CA GLY A 36 -15.271 6.381 -17.980 1.00 1.51 C ATOM 565 C GLY A 36 -16.398 6.569 -16.984 1.00 73.10 C ATOM 566 O GLY A 36 -16.729 7.697 -16.617 1.00 34.44 O ATOM 0 H GLY A 36 -13.603 5.562 -17.012 1.00 11.31 H new ATOM 0 HA2 GLY A 36 -14.698 7.305 -18.054 1.00 1.51 H new ATOM 0 HA3 GLY A 36 -15.691 6.186 -18.967 1.00 1.51 H new ATOM 570 N ILE A 37 -16.990 5.462 -16.548 1.00 11.34 N ATOM 571 CA ILE A 37 -18.087 5.510 -15.589 1.00 11.40 C ATOM 572 C ILE A 37 -17.956 4.404 -14.547 1.00 42.44 C ATOM 573 O ILE A 37 -17.333 3.368 -14.781 1.00 13.31 O ATOM 574 CB ILE A 37 -19.453 5.381 -16.289 1.00 43.32 C ATOM 575 CG1 ILE A 37 -19.423 4.237 -17.305 1.00 13.31 C ATOM 576 CG2 ILE A 37 -19.826 6.691 -16.968 1.00 65.55 C ATOM 577 CD1 ILE A 37 -20.793 3.687 -17.635 1.00 31.24 C ATOM 0 H ILE A 37 -16.729 4.521 -16.843 1.00 11.34 H new ATOM 0 HA ILE A 37 -18.031 6.480 -15.095 1.00 11.40 H new ATOM 0 HB ILE A 37 -20.210 5.155 -15.538 1.00 43.32 H new ATOM 0 HG12 ILE A 37 -18.951 4.589 -18.222 1.00 13.31 H new ATOM 0 HG13 ILE A 37 -18.801 3.431 -16.915 1.00 13.31 H new ATOM 0 HG21 ILE A 37 -20.794 6.584 -17.458 1.00 65.55 H new ATOM 0 HG22 ILE A 37 -19.883 7.484 -16.222 1.00 65.55 H new ATOM 0 HG23 ILE A 37 -19.069 6.944 -17.710 1.00 65.55 H new ATOM 0 HD11 ILE A 37 -20.696 2.880 -18.361 1.00 31.24 H new ATOM 0 HD12 ILE A 37 -21.260 3.305 -16.727 1.00 31.24 H new ATOM 0 HD13 ILE A 37 -21.412 4.480 -18.055 1.00 31.24 H new ATOM 589 N PRO A 38 -18.557 4.627 -13.369 1.00 75.34 N ATOM 590 CA PRO A 38 -18.524 3.659 -12.269 1.00 13.25 C ATOM 591 C PRO A 38 -19.351 2.413 -12.567 1.00 10.12 C ATOM 592 O PRO A 38 -20.401 2.490 -13.204 1.00 45.50 O ATOM 593 CB PRO A 38 -19.130 4.435 -11.096 1.00 71.12 C ATOM 594 CG PRO A 38 -19.995 5.468 -11.732 1.00 73.30 C ATOM 595 CD PRO A 38 -19.317 5.839 -13.022 1.00 0.44 C ATOM 0 HA PRO A 38 -17.515 3.291 -12.080 1.00 13.25 H new ATOM 0 HB2 PRO A 38 -19.709 3.780 -10.445 1.00 71.12 H new ATOM 0 HB3 PRO A 38 -18.355 4.892 -10.481 1.00 71.12 H new ATOM 0 HG2 PRO A 38 -20.997 5.079 -11.915 1.00 73.30 H new ATOM 0 HG3 PRO A 38 -20.104 6.338 -11.084 1.00 73.30 H new ATOM 0 HD2 PRO A 38 -20.040 6.095 -13.797 1.00 0.44 H new ATOM 0 HD3 PRO A 38 -18.663 6.702 -12.898 1.00 0.44 H new ATOM 603 N GLY A 39 -18.871 1.264 -12.101 1.00 4.10 N ATOM 604 CA GLY A 39 -19.579 0.018 -12.328 1.00 25.31 C ATOM 605 C GLY A 39 -21.051 0.116 -11.983 1.00 53.44 C ATOM 606 O GLY A 39 -21.906 -0.317 -12.754 1.00 72.43 O ATOM 0 H GLY A 39 -18.005 1.174 -11.570 1.00 4.10 H new ATOM 0 HA2 GLY A 39 -19.473 -0.271 -13.374 1.00 25.31 H new ATOM 0 HA3 GLY A 39 -19.121 -0.770 -11.731 1.00 25.31 H new ATOM 610 N ASN A 40 -21.349 0.688 -10.821 1.00 25.53 N ATOM 611 CA ASN A 40 -22.729 0.840 -10.374 1.00 64.44 C ATOM 612 C ASN A 40 -22.785 1.478 -8.990 1.00 35.43 C ATOM 613 O ASN A 40 -23.236 2.612 -8.836 1.00 41.42 O ATOM 614 CB ASN A 40 -23.432 -0.519 -10.352 1.00 22.04 C ATOM 615 CG ASN A 40 -24.385 -0.696 -11.518 1.00 20.43 C ATOM 616 OD1 ASN A 40 -25.189 0.186 -11.816 1.00 55.40 O ATOM 617 ND2 ASN A 40 -24.299 -1.842 -12.183 1.00 65.32 N ATOM 0 H ASN A 40 -20.653 1.054 -10.171 1.00 25.53 H new ATOM 0 HA ASN A 40 -23.243 1.496 -11.077 1.00 64.44 H new ATOM 0 HB2 ASN A 40 -22.685 -1.312 -10.374 1.00 22.04 H new ATOM 0 HB3 ASN A 40 -23.982 -0.625 -9.417 1.00 22.04 H new ATOM 0 HD21 ASN A 40 -24.915 -2.019 -12.976 1.00 65.32 H new ATOM 0 HD22 ASN A 40 -23.617 -2.546 -11.900 1.00 65.32 H new ATOM 624 N MET A 41 -22.325 0.740 -7.985 1.00 21.41 N ATOM 625 CA MET A 41 -22.322 1.234 -6.613 1.00 44.10 C ATOM 626 C MET A 41 -20.926 1.696 -6.205 1.00 13.20 C ATOM 627 O MET A 41 -20.769 2.742 -5.574 1.00 23.54 O ATOM 628 CB MET A 41 -22.812 0.147 -5.655 1.00 62.41 C ATOM 629 CG MET A 41 -22.335 0.337 -4.224 1.00 55.33 C ATOM 630 SD MET A 41 -22.926 1.877 -3.495 1.00 42.11 S ATOM 631 CE MET A 41 -23.945 1.251 -2.162 1.00 54.41 C ATOM 0 H MET A 41 -21.950 -0.202 -8.095 1.00 21.41 H new ATOM 0 HA MET A 41 -22.999 2.087 -6.559 1.00 44.10 H new ATOM 0 HB2 MET A 41 -23.902 0.129 -5.666 1.00 62.41 H new ATOM 0 HB3 MET A 41 -22.473 -0.824 -6.016 1.00 62.41 H new ATOM 0 HG2 MET A 41 -22.675 -0.502 -3.617 1.00 55.33 H new ATOM 0 HG3 MET A 41 -21.245 0.324 -4.203 1.00 55.33 H new ATOM 0 HE1 MET A 41 -24.149 2.053 -1.453 1.00 54.41 H new ATOM 0 HE2 MET A 41 -24.885 0.877 -2.568 1.00 54.41 H new ATOM 0 HE3 MET A 41 -23.422 0.442 -1.653 1.00 54.41 H new ATOM 641 N ILE A 42 -19.918 0.911 -6.569 1.00 40.31 N ATOM 642 CA ILE A 42 -18.537 1.241 -6.241 1.00 44.31 C ATOM 643 C ILE A 42 -18.304 1.198 -4.735 1.00 22.23 C ATOM 644 O ILE A 42 -17.896 2.190 -4.131 1.00 23.25 O ATOM 645 CB ILE A 42 -18.150 2.636 -6.769 1.00 35.22 C ATOM 646 CG1 ILE A 42 -18.601 2.798 -8.222 1.00 71.10 C ATOM 647 CG2 ILE A 42 -16.649 2.851 -6.647 1.00 14.21 C ATOM 648 CD1 ILE A 42 -18.024 1.755 -9.153 1.00 75.24 C ATOM 0 H ILE A 42 -20.032 0.042 -7.091 1.00 40.31 H new ATOM 0 HA ILE A 42 -17.911 0.492 -6.725 1.00 44.31 H new ATOM 0 HB ILE A 42 -18.655 3.390 -6.165 1.00 35.22 H new ATOM 0 HG12 ILE A 42 -19.689 2.749 -8.264 1.00 71.10 H new ATOM 0 HG13 ILE A 42 -18.313 3.788 -8.575 1.00 71.10 H new ATOM 0 HG21 ILE A 42 -16.391 3.841 -7.024 1.00 14.21 H new ATOM 0 HG22 ILE A 42 -16.354 2.773 -5.601 1.00 14.21 H new ATOM 0 HG23 ILE A 42 -16.124 2.093 -7.229 1.00 14.21 H new ATOM 0 HD11 ILE A 42 -18.386 1.931 -10.166 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -16.936 1.818 -9.141 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -18.334 0.763 -8.824 1.00 75.24 H new ATOM 660 N ARG A 43 -18.564 0.041 -4.134 1.00 54.15 N ATOM 661 CA ARG A 43 -18.383 -0.132 -2.698 1.00 63.44 C ATOM 662 C ARG A 43 -17.568 -1.388 -2.401 1.00 73.12 C ATOM 663 O ARG A 43 -18.031 -2.508 -2.623 1.00 22.04 O ATOM 664 CB ARG A 43 -19.740 -0.214 -1.997 1.00 61.12 C ATOM 665 CG ARG A 43 -20.265 1.133 -1.527 1.00 63.24 C ATOM 666 CD ARG A 43 -19.374 1.733 -0.451 1.00 32.24 C ATOM 667 NE ARG A 43 -19.017 3.118 -0.745 1.00 63.12 N ATOM 668 CZ ARG A 43 -18.417 3.923 0.125 1.00 63.14 C ATOM 669 NH1 ARG A 43 -18.108 3.483 1.337 1.00 74.23 N ATOM 670 NH2 ARG A 43 -18.123 5.171 -0.218 1.00 35.13 N ATOM 0 H ARG A 43 -18.901 -0.790 -4.620 1.00 54.15 H new ATOM 0 HA ARG A 43 -17.838 0.733 -2.319 1.00 63.44 H new ATOM 0 HB2 ARG A 43 -20.465 -0.659 -2.678 1.00 61.12 H new ATOM 0 HB3 ARG A 43 -19.657 -0.881 -1.139 1.00 61.12 H new ATOM 0 HG2 ARG A 43 -20.326 1.817 -2.374 1.00 63.24 H new ATOM 0 HG3 ARG A 43 -21.277 1.015 -1.139 1.00 63.24 H new ATOM 0 HD2 ARG A 43 -19.886 1.687 0.510 1.00 32.24 H new ATOM 0 HD3 ARG A 43 -18.466 1.137 -0.358 1.00 32.24 H new ATOM 0 HE ARG A 43 -19.241 3.488 -1.669 1.00 63.12 H new ATOM 0 HH11 ARG A 43 -18.331 2.524 1.604 1.00 74.23 H new ATOM 0 HH12 ARG A 43 -17.647 4.103 2.003 1.00 74.23 H new ATOM 0 HH21 ARG A 43 -18.358 5.513 -1.150 1.00 35.13 H new ATOM 0 HH22 ARG A 43 -17.662 5.789 0.450 1.00 35.13 H new ATOM 684 N LEU A 44 -16.354 -1.194 -1.899 1.00 42.03 N ATOM 685 CA LEU A 44 -15.474 -2.311 -1.572 1.00 2.52 C ATOM 686 C LEU A 44 -15.396 -2.518 -0.063 1.00 32.33 C ATOM 687 O LEU A 44 -15.642 -1.596 0.715 1.00 31.20 O ATOM 688 CB LEU A 44 -14.074 -2.065 -2.137 1.00 3.20 C ATOM 689 CG LEU A 44 -13.357 -0.811 -1.634 1.00 32.45 C ATOM 690 CD1 LEU A 44 -11.853 -1.033 -1.602 1.00 1.04 C ATOM 691 CD2 LEU A 44 -13.703 0.387 -2.505 1.00 52.11 C ATOM 0 H LEU A 44 -15.956 -0.274 -1.709 1.00 42.03 H new ATOM 0 HA LEU A 44 -15.888 -3.212 -2.023 1.00 2.52 H new ATOM 0 HB2 LEU A 44 -13.454 -2.931 -1.906 1.00 3.20 H new ATOM 0 HB3 LEU A 44 -14.148 -2.006 -3.223 1.00 3.20 H new ATOM 0 HG LEU A 44 -13.695 -0.605 -0.618 1.00 32.45 H new ATOM 0 HD11 LEU A 44 -11.360 -0.130 -1.242 1.00 1.04 H new ATOM 0 HD12 LEU A 44 -11.622 -1.864 -0.935 1.00 1.04 H new ATOM 0 HD13 LEU A 44 -11.498 -1.264 -2.606 1.00 1.04 H new ATOM 0 HD21 LEU A 44 -13.184 1.270 -2.132 1.00 52.11 H new ATOM 0 HD22 LEU A 44 -13.395 0.191 -3.532 1.00 52.11 H new ATOM 0 HD23 LEU A 44 -14.779 0.559 -2.476 1.00 52.11 H new ATOM 703 N VAL A 45 -15.051 -3.735 0.345 1.00 65.40 N ATOM 704 CA VAL A 45 -14.937 -4.064 1.761 1.00 42.20 C ATOM 705 C VAL A 45 -13.500 -4.416 2.130 1.00 72.12 C ATOM 706 O VAL A 45 -12.872 -5.258 1.488 1.00 70.23 O ATOM 707 CB VAL A 45 -15.856 -5.240 2.140 1.00 62.42 C ATOM 708 CG1 VAL A 45 -15.462 -6.494 1.373 1.00 54.31 C ATOM 709 CG2 VAL A 45 -15.813 -5.488 3.640 1.00 3.11 C ATOM 0 H VAL A 45 -14.845 -4.510 -0.286 1.00 65.40 H new ATOM 0 HA VAL A 45 -15.245 -3.179 2.317 1.00 42.20 H new ATOM 0 HB VAL A 45 -16.879 -4.982 1.867 1.00 62.42 H new ATOM 0 HG11 VAL A 45 -16.122 -7.315 1.654 1.00 54.31 H new ATOM 0 HG12 VAL A 45 -15.549 -6.308 0.302 1.00 54.31 H new ATOM 0 HG13 VAL A 45 -14.432 -6.759 1.613 1.00 54.31 H new ATOM 0 HG21 VAL A 45 -16.468 -6.322 3.890 1.00 3.11 H new ATOM 0 HG22 VAL A 45 -14.792 -5.726 3.940 1.00 3.11 H new ATOM 0 HG23 VAL A 45 -16.147 -4.594 4.166 1.00 3.11 H new ATOM 719 N TYR A 46 -12.986 -3.767 3.168 1.00 3.30 N ATOM 720 CA TYR A 46 -11.622 -4.010 3.622 1.00 44.21 C ATOM 721 C TYR A 46 -11.615 -4.731 4.966 1.00 31.12 C ATOM 722 O TYR A 46 -12.059 -4.186 5.977 1.00 64.34 O ATOM 723 CB TYR A 46 -10.857 -2.690 3.735 1.00 24.10 C ATOM 724 CG TYR A 46 -9.424 -2.778 3.259 1.00 52.32 C ATOM 725 CD1 TYR A 46 -8.564 -3.748 3.757 1.00 61.44 C ATOM 726 CD2 TYR A 46 -8.932 -1.890 2.310 1.00 25.01 C ATOM 727 CE1 TYR A 46 -7.254 -3.831 3.325 1.00 73.51 C ATOM 728 CE2 TYR A 46 -7.624 -1.967 1.871 1.00 3.44 C ATOM 729 CZ TYR A 46 -6.789 -2.939 2.382 1.00 10.41 C ATOM 730 OH TYR A 46 -5.486 -3.019 1.948 1.00 24.04 O ATOM 0 H TYR A 46 -13.493 -3.068 3.711 1.00 3.30 H new ATOM 0 HA TYR A 46 -11.130 -4.646 2.887 1.00 44.21 H new ATOM 0 HB2 TYR A 46 -11.377 -1.927 3.156 1.00 24.10 H new ATOM 0 HB3 TYR A 46 -10.866 -2.362 4.774 1.00 24.10 H new ATOM 0 HD1 TYR A 46 -8.925 -4.449 4.495 1.00 61.44 H new ATOM 0 HD2 TYR A 46 -9.583 -1.127 1.909 1.00 25.01 H new ATOM 0 HE1 TYR A 46 -6.598 -4.591 3.724 1.00 73.51 H new ATOM 0 HE2 TYR A 46 -7.257 -1.270 1.132 1.00 3.44 H new ATOM 0 HH TYR A 46 -5.412 -3.715 1.262 1.00 24.04 H new ATOM 740 N GLN A 47 -11.108 -5.960 4.969 1.00 52.24 N ATOM 741 CA GLN A 47 -11.044 -6.757 6.188 1.00 5.40 C ATOM 742 C GLN A 47 -12.423 -6.892 6.824 1.00 52.13 C ATOM 743 O GLN A 47 -12.553 -6.929 8.046 1.00 15.15 O ATOM 744 CB GLN A 47 -10.070 -6.125 7.184 1.00 3.32 C ATOM 745 CG GLN A 47 -9.141 -7.129 7.847 1.00 45.10 C ATOM 746 CD GLN A 47 -7.709 -7.009 7.361 1.00 15.44 C ATOM 747 OE1 GLN A 47 -7.437 -7.115 6.165 1.00 5.44 O ATOM 748 NE2 GLN A 47 -6.786 -6.786 8.289 1.00 0.23 N ATOM 0 H GLN A 47 -10.736 -6.425 4.141 1.00 52.24 H new ATOM 0 HA GLN A 47 -10.688 -7.752 5.923 1.00 5.40 H new ATOM 0 HB2 GLN A 47 -9.471 -5.375 6.668 1.00 3.32 H new ATOM 0 HB3 GLN A 47 -10.638 -5.604 7.955 1.00 3.32 H new ATOM 0 HG2 GLN A 47 -9.167 -6.985 8.927 1.00 45.10 H new ATOM 0 HG3 GLN A 47 -9.504 -8.138 7.651 1.00 45.10 H new ATOM 0 HE21 GLN A 47 -7.057 -6.705 9.269 1.00 0.23 H new ATOM 0 HE22 GLN A 47 -5.806 -6.696 8.022 1.00 0.23 H new ATOM 757 N GLY A 48 -13.452 -6.965 5.984 1.00 2.12 N ATOM 758 CA GLY A 48 -14.808 -7.095 6.483 1.00 55.32 C ATOM 759 C GLY A 48 -15.401 -5.765 6.904 1.00 52.43 C ATOM 760 O GLY A 48 -16.521 -5.708 7.412 1.00 30.14 O ATOM 0 H GLY A 48 -13.370 -6.936 4.968 1.00 2.12 H new ATOM 0 HA2 GLY A 48 -15.435 -7.541 5.711 1.00 55.32 H new ATOM 0 HA3 GLY A 48 -14.815 -7.778 7.333 1.00 55.32 H new ATOM 764 N LYS A 49 -14.648 -4.690 6.693 1.00 34.24 N ATOM 765 CA LYS A 49 -15.104 -3.353 7.055 1.00 74.24 C ATOM 766 C LYS A 49 -15.489 -2.555 5.813 1.00 63.44 C ATOM 767 O LYS A 49 -15.084 -2.890 4.700 1.00 61.32 O ATOM 768 CB LYS A 49 -14.014 -2.613 7.832 1.00 0.32 C ATOM 769 CG LYS A 49 -14.464 -2.129 9.200 1.00 71.02 C ATOM 770 CD LYS A 49 -13.562 -2.657 10.303 1.00 71.22 C ATOM 771 CE LYS A 49 -13.743 -4.154 10.502 1.00 70.23 C ATOM 772 NZ LYS A 49 -14.842 -4.458 11.460 1.00 41.33 N ATOM 0 H LYS A 49 -13.719 -4.719 6.273 1.00 34.24 H new ATOM 0 HA LYS A 49 -15.986 -3.456 7.687 1.00 74.24 H new ATOM 0 HB2 LYS A 49 -13.155 -3.273 7.954 1.00 0.32 H new ATOM 0 HB3 LYS A 49 -13.678 -1.758 7.246 1.00 0.32 H new ATOM 0 HG2 LYS A 49 -14.464 -1.039 9.219 1.00 71.02 H new ATOM 0 HG3 LYS A 49 -15.489 -2.451 9.382 1.00 71.02 H new ATOM 0 HD2 LYS A 49 -12.522 -2.445 10.057 1.00 71.22 H new ATOM 0 HD3 LYS A 49 -13.782 -2.136 11.235 1.00 71.22 H new ATOM 0 HE2 LYS A 49 -13.957 -4.624 9.542 1.00 70.23 H new ATOM 0 HE3 LYS A 49 -12.812 -4.587 10.868 1.00 70.23 H new ATOM 0 HZ1 LYS A 49 -14.933 -5.488 11.568 1.00 41.33 H new ATOM 0 HZ2 LYS A 49 -14.626 -4.031 12.383 1.00 41.33 H new ATOM 0 HZ3 LYS A 49 -15.736 -4.067 11.099 1.00 41.33 H new ATOM 786 N GLN A 50 -16.270 -1.499 6.012 1.00 75.12 N ATOM 787 CA GLN A 50 -16.708 -0.654 4.907 1.00 2.10 C ATOM 788 C GLN A 50 -16.176 0.767 5.065 1.00 71.31 C ATOM 789 O GLN A 50 -15.822 1.190 6.166 1.00 23.52 O ATOM 790 CB GLN A 50 -18.235 -0.633 4.826 1.00 32.55 C ATOM 791 CG GLN A 50 -18.871 -2.006 4.978 1.00 1.14 C ATOM 792 CD GLN A 50 -20.361 -1.993 4.701 1.00 13.32 C ATOM 793 OE1 GLN A 50 -20.799 -1.607 3.617 1.00 13.20 O ATOM 794 NE2 GLN A 50 -21.150 -2.416 5.682 1.00 0.32 N ATOM 0 H GLN A 50 -16.613 -1.208 6.928 1.00 75.12 H new ATOM 0 HA GLN A 50 -16.309 -1.072 3.983 1.00 2.10 H new ATOM 0 HB2 GLN A 50 -18.623 0.026 5.603 1.00 32.55 H new ATOM 0 HB3 GLN A 50 -18.534 -0.207 3.868 1.00 32.55 H new ATOM 0 HG2 GLN A 50 -18.385 -2.705 4.297 1.00 1.14 H new ATOM 0 HG3 GLN A 50 -18.697 -2.373 5.989 1.00 1.14 H new ATOM 0 HE21 GLN A 50 -20.744 -2.727 6.565 1.00 0.32 H new ATOM 0 HE22 GLN A 50 -22.162 -2.430 5.553 1.00 0.32 H new ATOM 803 N LEU A 51 -16.122 1.499 3.958 1.00 15.31 N ATOM 804 CA LEU A 51 -15.633 2.874 3.973 1.00 33.41 C ATOM 805 C LEU A 51 -14.169 2.926 4.397 1.00 31.23 C ATOM 806 O LEU A 51 -13.849 2.776 5.576 1.00 72.41 O ATOM 807 CB LEU A 51 -16.481 3.727 4.918 1.00 3.14 C ATOM 808 CG LEU A 51 -17.992 3.503 4.853 1.00 62.44 C ATOM 809 CD1 LEU A 51 -18.503 2.924 6.163 1.00 40.30 C ATOM 810 CD2 LEU A 51 -18.710 4.803 4.525 1.00 14.32 C ATOM 0 H LEU A 51 -16.411 1.164 3.039 1.00 15.31 H new ATOM 0 HA LEU A 51 -15.713 3.274 2.962 1.00 33.41 H new ATOM 0 HB2 LEU A 51 -16.150 3.540 5.939 1.00 3.14 H new ATOM 0 HB3 LEU A 51 -16.280 4.777 4.706 1.00 3.14 H new ATOM 0 HG LEU A 51 -18.200 2.787 4.058 1.00 62.44 H new ATOM 0 HD11 LEU A 51 -19.580 2.771 6.098 1.00 40.30 H new ATOM 0 HD12 LEU A 51 -18.012 1.970 6.355 1.00 40.30 H new ATOM 0 HD13 LEU A 51 -18.283 3.615 6.977 1.00 40.30 H new ATOM 0 HD21 LEU A 51 -19.784 4.625 4.483 1.00 14.32 H new ATOM 0 HD22 LEU A 51 -18.495 5.542 5.297 1.00 14.32 H new ATOM 0 HD23 LEU A 51 -18.366 5.175 3.560 1.00 14.32 H new ATOM 822 N GLU A 52 -13.285 3.142 3.428 1.00 21.13 N ATOM 823 CA GLU A 52 -11.855 3.215 3.703 1.00 44.33 C ATOM 824 C GLU A 52 -11.268 4.527 3.187 1.00 34.42 C ATOM 825 O GLU A 52 -10.079 4.795 3.355 1.00 43.32 O ATOM 826 CB GLU A 52 -11.128 2.032 3.061 1.00 71.25 C ATOM 827 CG GLU A 52 -11.787 0.691 3.337 1.00 62.34 C ATOM 828 CD GLU A 52 -12.401 0.075 2.094 1.00 3.41 C ATOM 829 OE1 GLU A 52 -11.818 0.236 1.002 1.00 44.13 O ATOM 830 OE2 GLU A 52 -13.465 -0.567 2.215 1.00 63.42 O ATOM 0 H GLU A 52 -13.534 3.269 2.447 1.00 21.13 H new ATOM 0 HA GLU A 52 -11.717 3.174 4.783 1.00 44.33 H new ATOM 0 HB2 GLU A 52 -11.078 2.188 1.983 1.00 71.25 H new ATOM 0 HB3 GLU A 52 -10.102 2.005 3.427 1.00 71.25 H new ATOM 0 HG2 GLU A 52 -11.047 0.005 3.750 1.00 62.34 H new ATOM 0 HG3 GLU A 52 -12.561 0.820 4.094 1.00 62.34 H new ATOM 837 N ASP A 53 -12.112 5.338 2.559 1.00 1.33 N ATOM 838 CA ASP A 53 -11.679 6.622 2.019 1.00 22.22 C ATOM 839 C ASP A 53 -11.000 7.463 3.096 1.00 41.04 C ATOM 840 O ASP A 53 -10.000 8.131 2.835 1.00 0.10 O ATOM 841 CB ASP A 53 -12.871 7.382 1.436 1.00 1.33 C ATOM 842 CG ASP A 53 -12.534 8.073 0.129 1.00 31.23 C ATOM 843 OD1 ASP A 53 -12.596 7.408 -0.926 1.00 31.24 O ATOM 844 OD2 ASP A 53 -12.208 9.278 0.161 1.00 3.05 O ATOM 0 H ASP A 53 -13.099 5.130 2.411 1.00 1.33 H new ATOM 0 HA ASP A 53 -10.957 6.430 1.225 1.00 22.22 H new ATOM 0 HB2 ASP A 53 -13.697 6.689 1.275 1.00 1.33 H new ATOM 0 HB3 ASP A 53 -13.214 8.123 2.158 1.00 1.33 H new ATOM 849 N GLU A 54 -11.552 7.425 4.305 1.00 45.55 N ATOM 850 CA GLU A 54 -10.999 8.186 5.419 1.00 15.33 C ATOM 851 C GLU A 54 -9.631 7.645 5.823 1.00 41.13 C ATOM 852 O GLU A 54 -8.832 8.345 6.445 1.00 40.42 O ATOM 853 CB GLU A 54 -11.951 8.142 6.617 1.00 61.12 C ATOM 854 CG GLU A 54 -12.345 9.516 7.133 1.00 63.25 C ATOM 855 CD GLU A 54 -12.593 9.528 8.628 1.00 4.44 C ATOM 856 OE1 GLU A 54 -11.623 9.333 9.391 1.00 12.24 O ATOM 857 OE2 GLU A 54 -13.755 9.733 9.036 1.00 1.01 O ATOM 0 H GLU A 54 -12.380 6.876 4.537 1.00 45.55 H new ATOM 0 HA GLU A 54 -10.880 9.220 5.095 1.00 15.33 H new ATOM 0 HB2 GLU A 54 -12.852 7.597 6.334 1.00 61.12 H new ATOM 0 HB3 GLU A 54 -11.480 7.582 7.424 1.00 61.12 H new ATOM 0 HG2 GLU A 54 -11.557 10.230 6.893 1.00 63.25 H new ATOM 0 HG3 GLU A 54 -13.245 9.850 6.616 1.00 63.25 H new ATOM 864 N LYS A 55 -9.367 6.393 5.464 1.00 34.04 N ATOM 865 CA LYS A 55 -8.096 5.756 5.787 1.00 34.31 C ATOM 866 C LYS A 55 -7.136 5.828 4.605 1.00 44.33 C ATOM 867 O LYS A 55 -6.401 4.879 4.331 1.00 43.32 O ATOM 868 CB LYS A 55 -8.321 4.295 6.186 1.00 13.52 C ATOM 869 CG LYS A 55 -8.758 4.120 7.630 1.00 34.12 C ATOM 870 CD LYS A 55 -10.249 4.365 7.795 1.00 21.23 C ATOM 871 CE LYS A 55 -10.894 3.304 8.675 1.00 41.44 C ATOM 872 NZ LYS A 55 -10.974 1.987 7.986 1.00 72.42 N ATOM 0 H LYS A 55 -10.017 5.799 4.949 1.00 34.04 H new ATOM 0 HA LYS A 55 -7.653 6.292 6.626 1.00 34.31 H new ATOM 0 HB2 LYS A 55 -9.076 3.860 5.531 1.00 13.52 H new ATOM 0 HB3 LYS A 55 -7.399 3.737 6.024 1.00 13.52 H new ATOM 0 HG2 LYS A 55 -8.515 3.112 7.965 1.00 34.12 H new ATOM 0 HG3 LYS A 55 -8.202 4.810 8.265 1.00 34.12 H new ATOM 0 HD2 LYS A 55 -10.411 5.350 8.233 1.00 21.23 H new ATOM 0 HD3 LYS A 55 -10.729 4.369 6.816 1.00 21.23 H new ATOM 0 HE2 LYS A 55 -10.320 3.198 9.596 1.00 41.44 H new ATOM 0 HE3 LYS A 55 -11.896 3.627 8.959 1.00 41.44 H new ATOM 0 HZ1 LYS A 55 -11.620 1.361 8.508 1.00 72.42 H new ATOM 0 HZ2 LYS A 55 -11.330 2.123 7.018 1.00 72.42 H new ATOM 0 HZ3 LYS A 55 -10.028 1.556 7.950 1.00 72.42 H new ATOM 886 N ARG A 56 -7.146 6.960 3.908 1.00 3.35 N ATOM 887 CA ARG A 56 -6.275 7.156 2.756 1.00 42.22 C ATOM 888 C ARG A 56 -4.838 6.764 3.087 1.00 21.31 C ATOM 889 O ARG A 56 -4.389 5.667 2.750 1.00 42.55 O ATOM 890 CB ARG A 56 -6.323 8.614 2.295 1.00 12.21 C ATOM 891 CG ARG A 56 -6.549 9.603 3.427 1.00 51.32 C ATOM 892 CD ARG A 56 -7.987 10.098 3.456 1.00 62.12 C ATOM 893 NE ARG A 56 -8.071 11.515 3.800 1.00 35.42 N ATOM 894 CZ ARG A 56 -7.972 11.976 5.042 1.00 42.33 C ATOM 895 NH1 ARG A 56 -7.784 11.138 6.051 1.00 34.34 N ATOM 896 NH2 ARG A 56 -8.059 13.280 5.275 1.00 30.42 N ATOM 0 H ARG A 56 -7.748 7.755 4.122 1.00 3.35 H new ATOM 0 HA ARG A 56 -6.632 6.515 1.950 1.00 42.22 H new ATOM 0 HB2 ARG A 56 -5.387 8.858 1.792 1.00 12.21 H new ATOM 0 HB3 ARG A 56 -7.120 8.728 1.560 1.00 12.21 H new ATOM 0 HG2 ARG A 56 -6.307 9.130 4.379 1.00 51.32 H new ATOM 0 HG3 ARG A 56 -5.874 10.451 3.311 1.00 51.32 H new ATOM 0 HD2 ARG A 56 -8.447 9.934 2.481 1.00 62.12 H new ATOM 0 HD3 ARG A 56 -8.557 9.515 4.180 1.00 62.12 H new ATOM 0 HE ARG A 56 -8.213 12.187 3.046 1.00 35.42 H new ATOM 0 HH11 ARG A 56 -7.715 10.136 5.875 1.00 34.34 H new ATOM 0 HH12 ARG A 56 -7.708 11.495 7.003 1.00 34.34 H new ATOM 0 HH21 ARG A 56 -8.202 13.928 4.500 1.00 30.42 H new ATOM 0 HH22 ARG A 56 -7.983 13.634 6.229 1.00 30.42 H new ATOM 910 N LEU A 57 -4.122 7.666 3.749 1.00 65.41 N ATOM 911 CA LEU A 57 -2.735 7.414 4.126 1.00 42.31 C ATOM 912 C LEU A 57 -2.635 6.219 5.068 1.00 3.23 C ATOM 913 O LEU A 57 -1.672 5.453 5.017 1.00 0.35 O ATOM 914 CB LEU A 57 -2.134 8.654 4.790 1.00 3.14 C ATOM 915 CG LEU A 57 -0.611 8.781 4.721 1.00 14.22 C ATOM 916 CD1 LEU A 57 -0.188 10.231 4.902 1.00 71.34 C ATOM 917 CD2 LEU A 57 0.046 7.897 5.771 1.00 51.10 C ATOM 0 H LEU A 57 -4.478 8.578 4.036 1.00 65.41 H new ATOM 0 HA LEU A 57 -2.173 7.186 3.220 1.00 42.31 H new ATOM 0 HB2 LEU A 57 -2.574 9.538 4.328 1.00 3.14 H new ATOM 0 HB3 LEU A 57 -2.432 8.661 5.838 1.00 3.14 H new ATOM 0 HG LEU A 57 -0.282 8.448 3.737 1.00 14.22 H new ATOM 0 HD11 LEU A 57 0.898 10.302 4.850 1.00 71.34 H new ATOM 0 HD12 LEU A 57 -0.630 10.840 4.113 1.00 71.34 H new ATOM 0 HD13 LEU A 57 -0.529 10.591 5.873 1.00 71.34 H new ATOM 0 HD21 LEU A 57 1.129 8.000 5.707 1.00 51.10 H new ATOM 0 HD22 LEU A 57 -0.290 8.200 6.763 1.00 51.10 H new ATOM 0 HD23 LEU A 57 -0.230 6.857 5.596 1.00 51.10 H new ATOM 929 N LYS A 58 -3.637 6.064 5.927 1.00 24.11 N ATOM 930 CA LYS A 58 -3.665 4.960 6.879 1.00 4.25 C ATOM 931 C LYS A 58 -3.605 3.618 6.158 1.00 34.51 C ATOM 932 O LYS A 58 -3.151 2.620 6.719 1.00 12.32 O ATOM 933 CB LYS A 58 -4.928 5.034 7.740 1.00 71.23 C ATOM 934 CG LYS A 58 -4.646 5.233 9.219 1.00 51.22 C ATOM 935 CD LYS A 58 -5.130 4.052 10.043 1.00 61.10 C ATOM 936 CE LYS A 58 -4.185 2.866 9.925 1.00 72.30 C ATOM 937 NZ LYS A 58 -3.224 2.807 11.061 1.00 42.13 N ATOM 0 H LYS A 58 -4.441 6.689 5.983 1.00 24.11 H new ATOM 0 HA LYS A 58 -2.789 5.045 7.522 1.00 4.25 H new ATOM 0 HB2 LYS A 58 -5.552 5.854 7.384 1.00 71.23 H new ATOM 0 HB3 LYS A 58 -5.501 4.116 7.608 1.00 71.23 H new ATOM 0 HG2 LYS A 58 -3.575 5.369 9.371 1.00 51.22 H new ATOM 0 HG3 LYS A 58 -5.135 6.144 9.564 1.00 51.22 H new ATOM 0 HD2 LYS A 58 -5.216 4.347 11.089 1.00 61.10 H new ATOM 0 HD3 LYS A 58 -6.126 3.759 9.711 1.00 61.10 H new ATOM 0 HE2 LYS A 58 -4.763 1.943 9.890 1.00 72.30 H new ATOM 0 HE3 LYS A 58 -3.634 2.932 8.987 1.00 72.30 H new ATOM 0 HZ1 LYS A 58 -2.598 1.985 10.944 1.00 42.13 H new ATOM 0 HZ2 LYS A 58 -2.654 3.677 11.079 1.00 42.13 H new ATOM 0 HZ3 LYS A 58 -3.748 2.718 11.955 1.00 42.13 H new ATOM 951 N ASP A 59 -4.066 3.600 4.912 1.00 24.11 N ATOM 952 CA ASP A 59 -4.063 2.380 4.113 1.00 25.11 C ATOM 953 C ASP A 59 -2.693 2.147 3.483 1.00 71.25 C ATOM 954 O ASP A 59 -2.396 1.051 3.007 1.00 21.31 O ATOM 955 CB ASP A 59 -5.133 2.456 3.024 1.00 72.34 C ATOM 956 CG ASP A 59 -6.411 1.741 3.417 1.00 12.41 C ATOM 957 OD1 ASP A 59 -6.900 1.977 4.541 1.00 13.54 O ATOM 958 OD2 ASP A 59 -6.922 0.945 2.601 1.00 1.50 O ATOM 0 H ASP A 59 -4.447 4.416 4.433 1.00 24.11 H new ATOM 0 HA ASP A 59 -4.287 1.542 4.773 1.00 25.11 H new ATOM 0 HB2 ASP A 59 -5.356 3.501 2.810 1.00 72.34 H new ATOM 0 HB3 ASP A 59 -4.743 2.019 2.105 1.00 72.34 H new ATOM 963 N TYR A 60 -1.864 3.185 3.481 1.00 21.52 N ATOM 964 CA TYR A 60 -0.527 3.094 2.906 1.00 72.01 C ATOM 965 C TYR A 60 0.409 2.314 3.824 1.00 42.04 C ATOM 966 O TYR A 60 1.468 1.851 3.399 1.00 14.31 O ATOM 967 CB TYR A 60 0.037 4.493 2.652 1.00 24.32 C ATOM 968 CG TYR A 60 1.344 4.489 1.892 1.00 43.43 C ATOM 969 CD1 TYR A 60 1.419 3.977 0.602 1.00 4.35 C ATOM 970 CD2 TYR A 60 2.504 5.000 2.463 1.00 71.35 C ATOM 971 CE1 TYR A 60 2.612 3.972 -0.096 1.00 35.45 C ATOM 972 CE2 TYR A 60 3.700 4.999 1.771 1.00 1.54 C ATOM 973 CZ TYR A 60 3.749 4.484 0.493 1.00 31.10 C ATOM 974 OH TYR A 60 4.938 4.481 -0.200 1.00 0.45 O ATOM 0 H TYR A 60 -2.094 4.099 3.871 1.00 21.52 H new ATOM 0 HA TYR A 60 -0.602 2.562 1.958 1.00 72.01 H new ATOM 0 HB2 TYR A 60 -0.696 5.076 2.094 1.00 24.32 H new ATOM 0 HB3 TYR A 60 0.184 4.996 3.608 1.00 24.32 H new ATOM 0 HD1 TYR A 60 0.530 3.576 0.137 1.00 4.35 H new ATOM 0 HD2 TYR A 60 2.470 5.404 3.464 1.00 71.35 H new ATOM 0 HE1 TYR A 60 2.654 3.569 -1.097 1.00 35.45 H new ATOM 0 HE2 TYR A 60 4.592 5.400 2.229 1.00 1.54 H new ATOM 0 HH TYR A 60 5.641 4.878 0.355 1.00 0.45 H new ATOM 984 N GLN A 61 0.010 2.173 5.083 1.00 22.35 N ATOM 985 CA GLN A 61 0.813 1.449 6.062 1.00 21.00 C ATOM 986 C GLN A 61 0.476 -0.038 6.049 1.00 23.55 C ATOM 987 O GLN A 61 0.970 -0.803 6.878 1.00 74.22 O ATOM 988 CB GLN A 61 0.589 2.023 7.462 1.00 52.00 C ATOM 989 CG GLN A 61 1.849 2.068 8.310 1.00 4.13 C ATOM 990 CD GLN A 61 1.599 2.625 9.698 1.00 24.30 C ATOM 991 OE1 GLN A 61 0.701 3.442 9.899 1.00 40.51 O ATOM 992 NE2 GLN A 61 2.395 2.183 10.665 1.00 11.34 N ATOM 0 H GLN A 61 -0.864 2.550 5.450 1.00 22.35 H new ATOM 0 HA GLN A 61 1.863 1.567 5.793 1.00 21.00 H new ATOM 0 HB2 GLN A 61 0.186 3.032 7.372 1.00 52.00 H new ATOM 0 HB3 GLN A 61 -0.163 1.424 7.975 1.00 52.00 H new ATOM 0 HG2 GLN A 61 2.261 1.063 8.395 1.00 4.13 H new ATOM 0 HG3 GLN A 61 2.599 2.679 7.807 1.00 4.13 H new ATOM 0 HE21 GLN A 61 3.127 1.505 10.453 1.00 11.34 H new ATOM 0 HE22 GLN A 61 2.274 2.521 11.620 1.00 11.34 H new ATOM 1001 N MET A 62 -0.367 -0.441 5.105 1.00 71.24 N ATOM 1002 CA MET A 62 -0.769 -1.838 4.984 1.00 0.13 C ATOM 1003 C MET A 62 0.192 -2.604 4.081 1.00 71.22 C ATOM 1004 O MET A 62 0.939 -3.466 4.543 1.00 71.41 O ATOM 1005 CB MET A 62 -2.193 -1.935 4.434 1.00 61.45 C ATOM 1006 CG MET A 62 -3.168 -0.977 5.097 1.00 13.03 C ATOM 1007 SD MET A 62 -3.454 -1.369 6.834 1.00 75.32 S ATOM 1008 CE MET A 62 -5.184 -0.933 6.999 1.00 62.21 C ATOM 0 H MET A 62 -0.785 0.180 4.412 1.00 71.24 H new ATOM 0 HA MET A 62 -0.740 -2.286 5.977 1.00 0.13 H new ATOM 0 HB2 MET A 62 -2.174 -1.737 3.362 1.00 61.45 H new ATOM 0 HB3 MET A 62 -2.555 -2.955 4.563 1.00 61.45 H new ATOM 0 HG2 MET A 62 -2.784 0.040 5.016 1.00 13.03 H new ATOM 0 HG3 MET A 62 -4.117 -1.002 4.562 1.00 13.03 H new ATOM 0 HE1 MET A 62 -5.510 -1.120 8.022 1.00 62.21 H new ATOM 0 HE2 MET A 62 -5.317 0.123 6.763 1.00 62.21 H new ATOM 0 HE3 MET A 62 -5.778 -1.536 6.313 1.00 62.21 H new ATOM 1018 N SER A 63 0.167 -2.284 2.791 1.00 73.11 N ATOM 1019 CA SER A 63 1.033 -2.946 1.822 1.00 12.32 C ATOM 1020 C SER A 63 0.821 -4.456 1.847 1.00 61.41 C ATOM 1021 O SER A 63 1.714 -5.225 1.491 1.00 73.12 O ATOM 1022 CB SER A 63 2.499 -2.620 2.111 1.00 3.05 C ATOM 1023 OG SER A 63 2.684 -1.228 2.303 1.00 24.22 O ATOM 0 H SER A 63 -0.443 -1.570 2.393 1.00 73.11 H new ATOM 0 HA SER A 63 0.775 -2.577 0.829 1.00 12.32 H new ATOM 0 HB2 SER A 63 2.826 -3.159 3.000 1.00 3.05 H new ATOM 0 HB3 SER A 63 3.121 -2.962 1.284 1.00 3.05 H new ATOM 0 HG SER A 63 3.629 -1.046 2.488 1.00 24.22 H new ATOM 1029 N ALA A 64 -0.367 -4.874 2.270 1.00 33.14 N ATOM 1030 CA ALA A 64 -0.698 -6.292 2.340 1.00 13.03 C ATOM 1031 C ALA A 64 -2.143 -6.497 2.782 1.00 32.24 C ATOM 1032 O ALA A 64 -2.423 -7.306 3.666 1.00 73.32 O ATOM 1033 CB ALA A 64 0.252 -7.010 3.287 1.00 44.22 C ATOM 0 H ALA A 64 -1.117 -4.251 2.570 1.00 33.14 H new ATOM 0 HA ALA A 64 -0.587 -6.715 1.342 1.00 13.03 H new ATOM 0 HB1 ALA A 64 -0.007 -8.068 3.329 1.00 44.22 H new ATOM 0 HB2 ALA A 64 1.275 -6.901 2.928 1.00 44.22 H new ATOM 0 HB3 ALA A 64 0.169 -6.576 4.283 1.00 44.22 H new ATOM 1039 N GLY A 65 -3.058 -5.758 2.162 1.00 0.01 N ATOM 1040 CA GLY A 65 -4.463 -5.874 2.506 1.00 10.53 C ATOM 1041 C GLY A 65 -5.336 -6.139 1.296 1.00 34.43 C ATOM 1042 O GLY A 65 -5.477 -5.283 0.424 1.00 62.13 O ATOM 0 H GLY A 65 -2.851 -5.081 1.428 1.00 0.01 H new ATOM 0 HA2 GLY A 65 -4.592 -6.681 3.227 1.00 10.53 H new ATOM 0 HA3 GLY A 65 -4.792 -4.956 2.993 1.00 10.53 H new ATOM 1046 N ALA A 66 -5.924 -7.330 1.243 1.00 63.34 N ATOM 1047 CA ALA A 66 -6.788 -7.706 0.131 1.00 60.43 C ATOM 1048 C ALA A 66 -8.004 -6.790 0.047 1.00 73.53 C ATOM 1049 O ALA A 66 -8.605 -6.444 1.064 1.00 54.50 O ATOM 1050 CB ALA A 66 -7.226 -9.157 0.270 1.00 42.12 C ATOM 0 H ALA A 66 -5.818 -8.051 1.957 1.00 63.34 H new ATOM 0 HA ALA A 66 -6.219 -7.597 -0.792 1.00 60.43 H new ATOM 0 HB1 ALA A 66 -7.871 -9.424 -0.567 1.00 42.12 H new ATOM 0 HB2 ALA A 66 -6.348 -9.803 0.273 1.00 42.12 H new ATOM 0 HB3 ALA A 66 -7.773 -9.284 1.204 1.00 42.12 H new ATOM 1056 N THR A 67 -8.363 -6.400 -1.173 1.00 23.52 N ATOM 1057 CA THR A 67 -9.506 -5.523 -1.389 1.00 71.24 C ATOM 1058 C THR A 67 -10.518 -6.162 -2.334 1.00 44.44 C ATOM 1059 O THR A 67 -10.145 -6.803 -3.317 1.00 54.44 O ATOM 1060 CB THR A 67 -9.069 -4.163 -1.966 1.00 33.11 C ATOM 1061 OG1 THR A 67 -7.657 -4.162 -2.202 1.00 50.02 O ATOM 1062 CG2 THR A 67 -9.431 -3.031 -1.016 1.00 24.54 C ATOM 0 H THR A 67 -7.878 -6.678 -2.026 1.00 23.52 H new ATOM 0 HA THR A 67 -9.971 -5.364 -0.416 1.00 71.24 H new ATOM 0 HB THR A 67 -9.594 -4.007 -2.908 1.00 33.11 H new ATOM 0 HG1 THR A 67 -7.192 -3.843 -1.401 1.00 50.02 H new ATOM 0 HG21 THR A 67 -9.113 -2.081 -1.444 1.00 24.54 H new ATOM 0 HG22 THR A 67 -10.510 -3.016 -0.862 1.00 24.54 H new ATOM 0 HG23 THR A 67 -8.930 -3.184 -0.060 1.00 24.54 H new ATOM 1070 N PHE A 68 -11.799 -5.982 -2.031 1.00 41.12 N ATOM 1071 CA PHE A 68 -12.865 -6.541 -2.854 1.00 70.11 C ATOM 1072 C PHE A 68 -13.903 -5.476 -3.197 1.00 65.14 C ATOM 1073 O PHE A 68 -14.605 -4.972 -2.321 1.00 32.35 O ATOM 1074 CB PHE A 68 -13.537 -7.710 -2.130 1.00 53.44 C ATOM 1075 CG PHE A 68 -14.876 -8.079 -2.703 1.00 11.45 C ATOM 1076 CD1 PHE A 68 -14.985 -8.537 -4.005 1.00 60.43 C ATOM 1077 CD2 PHE A 68 -16.026 -7.966 -1.938 1.00 21.15 C ATOM 1078 CE1 PHE A 68 -16.215 -8.878 -4.535 1.00 35.22 C ATOM 1079 CE2 PHE A 68 -17.259 -8.306 -2.461 1.00 41.24 C ATOM 1080 CZ PHE A 68 -17.354 -8.761 -3.762 1.00 30.20 C ATOM 0 H PHE A 68 -12.124 -5.453 -1.222 1.00 41.12 H new ATOM 0 HA PHE A 68 -12.422 -6.903 -3.782 1.00 70.11 H new ATOM 0 HB2 PHE A 68 -12.880 -8.579 -2.172 1.00 53.44 H new ATOM 0 HB3 PHE A 68 -13.659 -7.454 -1.078 1.00 53.44 H new ATOM 0 HD1 PHE A 68 -14.098 -8.629 -4.614 1.00 60.43 H new ATOM 0 HD2 PHE A 68 -15.958 -7.608 -0.921 1.00 21.15 H new ATOM 0 HE1 PHE A 68 -16.286 -9.235 -5.552 1.00 35.22 H new ATOM 0 HE2 PHE A 68 -18.147 -8.216 -1.853 1.00 41.24 H new ATOM 0 HZ PHE A 68 -18.317 -9.025 -4.174 1.00 30.20 H new ATOM 1090 N HIS A 69 -13.992 -5.138 -4.480 1.00 14.32 N ATOM 1091 CA HIS A 69 -14.944 -4.133 -4.940 1.00 42.53 C ATOM 1092 C HIS A 69 -16.267 -4.779 -5.340 1.00 24.30 C ATOM 1093 O HIS A 69 -16.288 -5.875 -5.900 1.00 53.45 O ATOM 1094 CB HIS A 69 -14.365 -3.356 -6.123 1.00 3.41 C ATOM 1095 CG HIS A 69 -13.169 -2.526 -5.767 1.00 74.21 C ATOM 1096 ND1 HIS A 69 -12.981 -1.241 -6.229 1.00 44.13 N ATOM 1097 CD2 HIS A 69 -12.099 -2.805 -4.987 1.00 63.14 C ATOM 1098 CE1 HIS A 69 -11.845 -0.766 -5.751 1.00 3.43 C ATOM 1099 NE2 HIS A 69 -11.290 -1.695 -4.994 1.00 33.14 N ATOM 0 H HIS A 69 -13.417 -5.545 -5.218 1.00 14.32 H new ATOM 0 HA HIS A 69 -15.131 -3.443 -4.117 1.00 42.53 H new ATOM 0 HB2 HIS A 69 -14.088 -4.059 -6.908 1.00 3.41 H new ATOM 0 HB3 HIS A 69 -15.138 -2.707 -6.534 1.00 3.41 H new ATOM 0 HD1 HIS A 69 -13.619 -0.736 -6.844 1.00 44.13 H new ATOM 0 HD2 HIS A 69 -11.915 -3.728 -4.458 1.00 63.14 H new ATOM 0 HE1 HIS A 69 -11.439 0.216 -5.946 1.00 3.43 H new ATOM 1107 N MET A 70 -17.367 -4.094 -5.047 1.00 71.20 N ATOM 1108 CA MET A 70 -18.694 -4.602 -5.377 1.00 24.54 C ATOM 1109 C MET A 70 -19.507 -3.553 -6.127 1.00 40.22 C ATOM 1110 O MET A 70 -19.572 -2.394 -5.718 1.00 0.35 O ATOM 1111 CB MET A 70 -19.432 -5.023 -4.105 1.00 34.42 C ATOM 1112 CG MET A 70 -20.907 -5.318 -4.328 1.00 0.43 C ATOM 1113 SD MET A 70 -21.501 -6.690 -3.321 1.00 33.40 S ATOM 1114 CE MET A 70 -22.986 -5.977 -2.618 1.00 2.45 C ATOM 0 H MET A 70 -17.366 -3.186 -4.582 1.00 71.20 H new ATOM 0 HA MET A 70 -18.573 -5.471 -6.023 1.00 24.54 H new ATOM 0 HB2 MET A 70 -18.951 -5.910 -3.692 1.00 34.42 H new ATOM 0 HB3 MET A 70 -19.336 -4.233 -3.361 1.00 34.42 H new ATOM 0 HG2 MET A 70 -21.490 -4.426 -4.100 1.00 0.43 H new ATOM 0 HG3 MET A 70 -21.073 -5.547 -5.381 1.00 0.43 H new ATOM 0 HE1 MET A 70 -23.468 -6.708 -1.968 1.00 2.45 H new ATOM 0 HE2 MET A 70 -22.725 -5.092 -2.038 1.00 2.45 H new ATOM 0 HE3 MET A 70 -23.670 -5.697 -3.419 1.00 2.45 H new ATOM 1124 N VAL A 71 -20.126 -3.966 -7.229 1.00 21.24 N ATOM 1125 CA VAL A 71 -20.936 -3.062 -8.036 1.00 3.41 C ATOM 1126 C VAL A 71 -22.324 -3.641 -8.286 1.00 25.05 C ATOM 1127 O VAL A 71 -22.478 -4.616 -9.021 1.00 20.45 O ATOM 1128 CB VAL A 71 -20.264 -2.764 -9.390 1.00 33.32 C ATOM 1129 CG1 VAL A 71 -19.089 -1.817 -9.206 1.00 45.14 C ATOM 1130 CG2 VAL A 71 -19.819 -4.056 -10.058 1.00 74.25 C ATOM 0 H VAL A 71 -20.082 -4.922 -7.583 1.00 21.24 H new ATOM 0 HA VAL A 71 -21.030 -2.133 -7.473 1.00 3.41 H new ATOM 0 HB VAL A 71 -20.992 -2.278 -10.039 1.00 33.32 H new ATOM 0 HG11 VAL A 71 -18.627 -1.618 -10.173 1.00 45.14 H new ATOM 0 HG12 VAL A 71 -19.441 -0.881 -8.773 1.00 45.14 H new ATOM 0 HG13 VAL A 71 -18.356 -2.272 -8.540 1.00 45.14 H new ATOM 0 HG21 VAL A 71 -19.346 -3.828 -11.013 1.00 74.25 H new ATOM 0 HG22 VAL A 71 -19.106 -4.572 -9.414 1.00 74.25 H new ATOM 0 HG23 VAL A 71 -20.685 -4.696 -10.226 1.00 74.25 H new ATOM 1140 N VAL A 72 -23.332 -3.033 -7.669 1.00 32.31 N ATOM 1141 CA VAL A 72 -24.709 -3.487 -7.825 1.00 61.51 C ATOM 1142 C VAL A 72 -25.573 -2.410 -8.470 1.00 52.02 C ATOM 1143 O VAL A 72 -25.644 -1.282 -7.982 1.00 71.45 O ATOM 1144 CB VAL A 72 -25.327 -3.883 -6.471 1.00 24.02 C ATOM 1145 CG1 VAL A 72 -25.242 -2.726 -5.487 1.00 23.22 C ATOM 1146 CG2 VAL A 72 -26.768 -4.333 -6.654 1.00 71.12 C ATOM 0 H VAL A 72 -23.221 -2.225 -7.057 1.00 32.31 H new ATOM 0 HA VAL A 72 -24.681 -4.363 -8.473 1.00 61.51 H new ATOM 0 HB VAL A 72 -24.759 -4.719 -6.063 1.00 24.02 H new ATOM 0 HG11 VAL A 72 -25.683 -3.024 -4.536 1.00 23.22 H new ATOM 0 HG12 VAL A 72 -24.197 -2.455 -5.333 1.00 23.22 H new ATOM 0 HG13 VAL A 72 -25.784 -1.869 -5.886 1.00 23.22 H new ATOM 0 HG21 VAL A 72 -27.189 -4.609 -5.687 1.00 71.12 H new ATOM 0 HG22 VAL A 72 -27.351 -3.519 -7.085 1.00 71.12 H new ATOM 0 HG23 VAL A 72 -26.798 -5.194 -7.322 1.00 71.12 H new