USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 835 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 12 MET CE :methyl 177:sc= -1.65 (180deg=-1.26) USER MOD Set 1.2: A 14 HIS :FLIP no HD1:sc= -1.09 F(o=-3.9!,f=-2.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 3:sc= 0.617 USER MOD Single : A 6 SER OG : rot 180:sc= -0.511 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 150:sc= -0.25 (180deg=-1.22!) USER MOD Single : A 22 ASN : amide:sc= 0.0245 X(o=0.025,f=0) USER MOD Single : A 23 MET CE :methyl -139:sc= -5.08 (180deg=-11.4!) USER MOD Single : A 25 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-7.5!) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.707 (180deg=-1.53) USER MOD Single : A 37 ASN :FLIP amide:sc= 0.119 F(o=-0.44,f=0.12) USER MOD Single : A 47 CYS SG : rot -99:sc= -3.91! USER MOD Single : A 48 SER OG : rot 17:sc= 0.466 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.044) USER MOD Single : A 62 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-5.1) USER MOD Single : A 68 SER OG : rot 114:sc= -0.314 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -83:sc= -2.9! USER MOD Single : A 82 GLN : amide:sc= -0.924 X(o=-0.92,f=-1) USER MOD Single : A 83 THR OG1 : rot 120:sc= 0.248 USER MOD Single : A 93 GLN : amide:sc= -2.25 X(o=-2.2,f=-2) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 97 GLN :FLIP amide:sc= -5.19! C(o=-10!,f=-5.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -168:sc= 0.183! USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -5.13! C(o=-5.1!,f=-7.7!) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.305 -14.516 1.997 1.00 0.00 N ATOM 2 CA GLY A 1 -0.179 -14.312 0.644 1.00 0.00 C ATOM 3 C GLY A 1 0.667 -13.322 -0.131 1.00 0.00 C ATOM 4 O GLY A 1 0.862 -12.188 0.304 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.307 -15.201 2.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.278 -14.882 1.966 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.291 -13.612 2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.190 -15.266 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.209 -13.956 0.680 1.00 0.00 H new ATOM 8 N SER A 2 1.172 -13.752 -1.283 1.00 0.00 N ATOM 9 CA SER A 2 2.007 -12.897 -2.119 1.00 0.00 C ATOM 10 C SER A 2 2.195 -13.508 -3.504 1.00 0.00 C ATOM 11 O SER A 2 2.452 -14.705 -3.637 1.00 0.00 O ATOM 12 CB SER A 2 3.368 -12.675 -1.458 1.00 0.00 C ATOM 13 OG SER A 2 4.052 -13.903 -1.272 1.00 0.00 O ATOM 0 H SER A 2 1.017 -14.688 -1.659 1.00 0.00 H new ATOM 0 HA SER A 2 1.504 -11.936 -2.230 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.971 -12.009 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.232 -12.182 -0.496 1.00 0.00 H new ATOM 0 HG SER A 2 4.920 -13.733 -0.849 1.00 0.00 H new ATOM 19 N SER A 3 2.065 -12.677 -4.533 1.00 0.00 N ATOM 20 CA SER A 3 2.216 -13.135 -5.909 1.00 0.00 C ATOM 21 C SER A 3 3.678 -13.081 -6.342 1.00 0.00 C ATOM 22 O SER A 3 3.987 -13.122 -7.532 1.00 0.00 O ATOM 23 CB SER A 3 1.362 -12.282 -6.850 1.00 0.00 C ATOM 24 OG SER A 3 1.771 -10.926 -6.820 1.00 0.00 O ATOM 0 H SER A 3 1.855 -11.683 -4.440 1.00 0.00 H new ATOM 0 HA SER A 3 1.877 -14.170 -5.960 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.441 -12.667 -7.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.313 -12.355 -6.562 1.00 0.00 H new ATOM 0 HG SER A 3 1.212 -10.402 -7.431 1.00 0.00 H new ATOM 30 N GLY A 4 4.575 -12.988 -5.365 1.00 0.00 N ATOM 31 CA GLY A 4 5.994 -12.929 -5.663 1.00 0.00 C ATOM 32 C GLY A 4 6.290 -12.134 -6.920 1.00 0.00 C ATOM 33 O GLY A 4 6.433 -12.703 -8.002 1.00 0.00 O ATOM 0 H GLY A 4 4.344 -12.952 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.521 -12.480 -4.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.380 -13.942 -5.778 1.00 0.00 H new ATOM 37 N SER A 5 6.380 -10.816 -6.777 1.00 0.00 N ATOM 38 CA SER A 5 6.655 -9.941 -7.911 1.00 0.00 C ATOM 39 C SER A 5 7.808 -8.992 -7.598 1.00 0.00 C ATOM 40 O SER A 5 7.766 -8.250 -6.617 1.00 0.00 O ATOM 41 CB SER A 5 5.405 -9.140 -8.279 1.00 0.00 C ATOM 42 OG SER A 5 5.198 -8.072 -7.370 1.00 0.00 O ATOM 0 H SER A 5 6.267 -10.330 -5.887 1.00 0.00 H new ATOM 0 HA SER A 5 6.941 -10.564 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.506 -8.747 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.535 -9.797 -8.278 1.00 0.00 H new ATOM 0 HG SER A 5 5.934 -8.046 -6.723 1.00 0.00 H new ATOM 48 N SER A 6 8.836 -9.022 -8.439 1.00 0.00 N ATOM 49 CA SER A 6 10.003 -8.168 -8.251 1.00 0.00 C ATOM 50 C SER A 6 9.587 -6.771 -7.799 1.00 0.00 C ATOM 51 O SER A 6 10.008 -6.296 -6.746 1.00 0.00 O ATOM 52 CB SER A 6 10.809 -8.078 -9.548 1.00 0.00 C ATOM 53 OG SER A 6 12.172 -7.792 -9.283 1.00 0.00 O ATOM 0 H SER A 6 8.885 -9.629 -9.258 1.00 0.00 H new ATOM 0 HA SER A 6 10.626 -8.611 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.731 -9.018 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.389 -7.302 -10.188 1.00 0.00 H new ATOM 0 HG SER A 6 12.666 -7.741 -10.128 1.00 0.00 H new ATOM 59 N GLY A 7 8.755 -6.119 -8.606 1.00 0.00 N ATOM 60 CA GLY A 7 8.295 -4.783 -8.273 1.00 0.00 C ATOM 61 C GLY A 7 9.436 -3.842 -7.944 1.00 0.00 C ATOM 62 O GLY A 7 9.551 -3.365 -6.815 1.00 0.00 O ATOM 0 H GLY A 7 8.392 -6.492 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.725 -4.379 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.616 -4.837 -7.422 1.00 0.00 H new ATOM 66 N GLY A 8 10.285 -3.574 -8.932 1.00 0.00 N ATOM 67 CA GLY A 8 11.413 -2.686 -8.721 1.00 0.00 C ATOM 68 C GLY A 8 12.124 -2.954 -7.409 1.00 0.00 C ATOM 69 O GLY A 8 11.938 -2.243 -6.421 1.00 0.00 O ATOM 0 H GLY A 8 10.211 -3.956 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 8 12.119 -2.799 -9.543 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.066 -1.653 -8.738 1.00 0.00 H new ATOM 73 N PRO A 9 12.959 -4.004 -7.387 1.00 0.00 N ATOM 74 CA PRO A 9 13.716 -4.388 -6.192 1.00 0.00 C ATOM 75 C PRO A 9 14.812 -3.385 -5.852 1.00 0.00 C ATOM 76 O PRO A 9 15.214 -3.259 -4.696 1.00 0.00 O ATOM 77 CB PRO A 9 14.327 -5.738 -6.579 1.00 0.00 C ATOM 78 CG PRO A 9 14.409 -5.704 -8.066 1.00 0.00 C ATOM 79 CD PRO A 9 13.228 -4.895 -8.528 1.00 0.00 C ATOM 0 HA PRO A 9 13.084 -4.429 -5.305 1.00 0.00 H new ATOM 0 HB2 PRO A 9 15.312 -5.870 -6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.707 -6.566 -6.235 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.345 -5.252 -8.395 1.00 0.00 H new ATOM 0 HG3 PRO A 9 14.379 -6.711 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.456 -4.332 -9.433 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.370 -5.529 -8.754 1.00 0.00 H new ATOM 87 N SER A 10 15.291 -2.673 -6.867 1.00 0.00 N ATOM 88 CA SER A 10 16.344 -1.682 -6.675 1.00 0.00 C ATOM 89 C SER A 10 15.754 -0.330 -6.284 1.00 0.00 C ATOM 90 O SER A 10 14.633 0.005 -6.669 1.00 0.00 O ATOM 91 CB SER A 10 17.176 -1.538 -7.951 1.00 0.00 C ATOM 92 OG SER A 10 17.755 -2.776 -8.325 1.00 0.00 O ATOM 0 H SER A 10 14.967 -2.764 -7.830 1.00 0.00 H new ATOM 0 HA SER A 10 16.988 -2.025 -5.866 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.546 -1.169 -8.760 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.961 -0.798 -7.795 1.00 0.00 H new ATOM 0 HG SER A 10 18.280 -2.657 -9.144 1.00 0.00 H new ATOM 98 N ARG A 11 16.516 0.442 -5.517 1.00 0.00 N ATOM 99 CA ARG A 11 16.069 1.756 -5.072 1.00 0.00 C ATOM 100 C ARG A 11 17.164 2.800 -5.274 1.00 0.00 C ATOM 101 O ARG A 11 18.284 2.471 -5.663 1.00 0.00 O ATOM 102 CB ARG A 11 15.661 1.708 -3.598 1.00 0.00 C ATOM 103 CG ARG A 11 16.809 1.373 -2.660 1.00 0.00 C ATOM 104 CD ARG A 11 16.985 -0.130 -2.509 1.00 0.00 C ATOM 105 NE ARG A 11 17.728 -0.476 -1.300 1.00 0.00 N ATOM 106 CZ ARG A 11 19.051 -0.415 -1.208 1.00 0.00 C ATOM 107 NH1 ARG A 11 19.774 -0.023 -2.248 1.00 0.00 N ATOM 108 NH2 ARG A 11 19.655 -0.746 -0.074 1.00 0.00 N ATOM 0 H ARG A 11 17.446 0.180 -5.191 1.00 0.00 H new ATOM 0 HA ARG A 11 15.204 2.040 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.241 2.673 -3.314 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.872 0.967 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 11 17.731 1.812 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 11 16.624 1.819 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.006 -0.609 -2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.508 -0.523 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 11 17.201 -0.781 -0.481 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.314 0.233 -3.122 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.790 0.023 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.103 -1.048 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.672 -0.699 -0.005 1.00 0.00 H new ATOM 122 N MET A 12 16.831 4.058 -5.007 1.00 0.00 N ATOM 123 CA MET A 12 17.786 5.150 -5.159 1.00 0.00 C ATOM 124 C MET A 12 17.875 5.976 -3.881 1.00 0.00 C ATOM 125 O MET A 12 16.958 5.966 -3.059 1.00 0.00 O ATOM 126 CB MET A 12 17.386 6.046 -6.333 1.00 0.00 C ATOM 127 CG MET A 12 17.624 5.409 -7.693 1.00 0.00 C ATOM 128 SD MET A 12 17.045 6.440 -9.054 1.00 0.00 S ATOM 129 CE MET A 12 15.295 6.537 -8.684 1.00 0.00 C ATOM 0 H MET A 12 15.908 4.347 -4.684 1.00 0.00 H new ATOM 0 HA MET A 12 18.766 4.717 -5.359 1.00 0.00 H new ATOM 0 HB2 MET A 12 16.331 6.302 -6.241 1.00 0.00 H new ATOM 0 HB3 MET A 12 17.947 6.979 -6.275 1.00 0.00 H new ATOM 0 HG2 MET A 12 18.689 5.215 -7.817 1.00 0.00 H new ATOM 0 HG3 MET A 12 17.117 4.445 -7.732 1.00 0.00 H new ATOM 0 HE1 MET A 12 14.805 7.188 -9.409 1.00 0.00 H new ATOM 0 HE2 MET A 12 14.856 5.541 -8.736 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.157 6.942 -7.682 1.00 0.00 H new ATOM 139 N ARG A 13 18.984 6.691 -3.719 1.00 0.00 N ATOM 140 CA ARG A 13 19.192 7.522 -2.539 1.00 0.00 C ATOM 141 C ARG A 13 18.559 8.897 -2.724 1.00 0.00 C ATOM 142 O ARG A 13 19.139 9.916 -2.346 1.00 0.00 O ATOM 143 CB ARG A 13 20.687 7.671 -2.252 1.00 0.00 C ATOM 144 CG ARG A 13 21.334 6.405 -1.714 1.00 0.00 C ATOM 145 CD ARG A 13 21.745 5.469 -2.839 1.00 0.00 C ATOM 146 NE ARG A 13 22.584 4.374 -2.361 1.00 0.00 N ATOM 147 CZ ARG A 13 22.130 3.368 -1.621 1.00 0.00 C ATOM 148 NH1 ARG A 13 20.850 3.319 -1.278 1.00 0.00 N ATOM 149 NH2 ARG A 13 22.956 2.409 -1.224 1.00 0.00 N ATOM 0 H ARG A 13 19.752 6.711 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 13 18.713 7.032 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.196 7.968 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.831 8.477 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 13 22.209 6.667 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.638 5.893 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 13 20.853 5.061 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 13 22.284 6.033 -3.601 1.00 0.00 H new ATOM 0 HE ARG A 13 23.573 4.382 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 13 20.212 4.054 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.503 2.546 -0.710 1.00 0.00 H new ATOM 0 HH21 ARG A 13 23.941 2.443 -1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 13 22.606 1.637 -0.656 1.00 0.00 H new ATOM 163 N HIS A 14 17.365 8.920 -3.309 1.00 0.00 N ATOM 164 CA HIS A 14 16.652 10.171 -3.545 1.00 0.00 C ATOM 165 C HIS A 14 15.728 10.497 -2.376 1.00 0.00 C ATOM 166 O HIS A 14 15.695 9.777 -1.379 1.00 0.00 O ATOM 167 CB HIS A 14 15.845 10.086 -4.840 1.00 0.00 C ATOM 168 CG HIS A 14 16.689 9.871 -6.059 1.00 0.00 C ATOM 169 ND1 HIS A 14 18.020 10.028 -6.253 1.00 0.00 N flip ATOM 170 CD2 HIS A 14 16.175 9.446 -7.265 1.00 0.00 C flip ATOM 171 CE1 HIS A 14 18.282 9.696 -7.559 1.00 0.00 C flip ATOM 172 NE2 HIS A 14 17.153 9.348 -8.148 1.00 0.00 N flip ATOM 0 H HIS A 14 16.871 8.087 -3.628 1.00 0.00 H new ATOM 0 HA HIS A 14 17.389 10.969 -3.637 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.126 9.271 -4.758 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.272 11.005 -4.962 1.00 0.00 H new ATOM 0 HD2 HIS A 14 15.135 9.227 -7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 14 19.254 9.716 -8.029 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.053 9.054 -9.119 1.00 0.00 H new ATOM 180 N GLU A 15 14.980 11.588 -2.506 1.00 0.00 N ATOM 181 CA GLU A 15 14.056 12.010 -1.460 1.00 0.00 C ATOM 182 C GLU A 15 12.658 12.236 -2.027 1.00 0.00 C ATOM 183 O GLU A 15 12.001 13.229 -1.712 1.00 0.00 O ATOM 184 CB GLU A 15 14.560 13.291 -0.790 1.00 0.00 C ATOM 185 CG GLU A 15 14.783 14.438 -1.761 1.00 0.00 C ATOM 186 CD GLU A 15 14.803 15.789 -1.073 1.00 0.00 C ATOM 187 OE1 GLU A 15 15.557 15.944 -0.090 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.065 16.693 -1.519 1.00 0.00 O ATOM 0 H GLU A 15 14.996 12.196 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 15 14.003 11.215 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.841 13.602 -0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.495 13.077 -0.273 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.727 14.287 -2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.995 14.430 -2.514 1.00 0.00 H new ATOM 195 N ARG A 16 12.208 11.307 -2.864 1.00 0.00 N ATOM 196 CA ARG A 16 10.889 11.405 -3.477 1.00 0.00 C ATOM 197 C ARG A 16 9.980 10.280 -2.992 1.00 0.00 C ATOM 198 O ARG A 16 9.626 9.380 -3.755 1.00 0.00 O ATOM 199 CB ARG A 16 11.006 11.359 -5.002 1.00 0.00 C ATOM 200 CG ARG A 16 9.917 12.138 -5.720 1.00 0.00 C ATOM 201 CD ARG A 16 10.033 13.631 -5.456 1.00 0.00 C ATOM 202 NE ARG A 16 9.270 14.041 -4.281 1.00 0.00 N ATOM 203 CZ ARG A 16 9.466 15.187 -3.640 1.00 0.00 C ATOM 204 NH1 ARG A 16 10.396 16.034 -4.058 1.00 0.00 N ATOM 205 NH2 ARG A 16 8.730 15.489 -2.577 1.00 0.00 N ATOM 0 H ARG A 16 12.738 10.478 -3.133 1.00 0.00 H new ATOM 0 HA ARG A 16 10.449 12.358 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.978 11.755 -5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.973 10.320 -5.329 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.981 11.951 -6.792 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.939 11.784 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.082 13.894 -5.317 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.679 14.182 -6.328 1.00 0.00 H new ATOM 0 HE ARG A 16 8.546 13.412 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.964 15.806 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.544 16.914 -3.563 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.013 14.840 -2.252 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.882 16.370 -2.085 1.00 0.00 H new ATOM 219 N VAL A 17 9.605 10.336 -1.718 1.00 0.00 N ATOM 220 CA VAL A 17 8.737 9.322 -1.131 1.00 0.00 C ATOM 221 C VAL A 17 7.609 9.962 -0.329 1.00 0.00 C ATOM 222 O VAL A 17 7.841 10.856 0.485 1.00 0.00 O ATOM 223 CB VAL A 17 9.527 8.369 -0.215 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.605 7.318 0.385 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.665 7.715 -0.983 1.00 0.00 C ATOM 0 H VAL A 17 9.889 11.073 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 17 8.313 8.751 -1.957 1.00 0.00 H new ATOM 0 HB VAL A 17 9.956 8.950 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 17 9.181 6.654 1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.828 7.808 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.145 6.738 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.213 7.045 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.260 7.147 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 17 11.339 8.484 -1.359 1.00 0.00 H new ATOM 235 N VAL A 18 6.386 9.498 -0.564 1.00 0.00 N ATOM 236 CA VAL A 18 5.221 10.024 0.138 1.00 0.00 C ATOM 237 C VAL A 18 4.817 9.112 1.291 1.00 0.00 C ATOM 238 O VAL A 18 4.970 7.893 1.215 1.00 0.00 O ATOM 239 CB VAL A 18 4.021 10.192 -0.813 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.477 10.747 -2.154 1.00 0.00 C ATOM 241 CG2 VAL A 18 3.295 8.868 -0.994 1.00 0.00 C ATOM 0 H VAL A 18 6.176 8.759 -1.235 1.00 0.00 H new ATOM 0 HA VAL A 18 5.503 11.001 0.532 1.00 0.00 H new ATOM 0 HB VAL A 18 3.325 10.904 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.616 10.859 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.948 11.718 -2.004 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.194 10.062 -2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.450 9.006 -1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.980 8.132 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.934 8.516 -0.028 1.00 0.00 H new ATOM 251 N ILE A 19 4.300 9.712 2.359 1.00 0.00 N ATOM 252 CA ILE A 19 3.872 8.953 3.528 1.00 0.00 C ATOM 253 C ILE A 19 2.359 9.018 3.701 1.00 0.00 C ATOM 254 O ILE A 19 1.718 9.987 3.294 1.00 0.00 O ATOM 255 CB ILE A 19 4.547 9.471 4.812 1.00 0.00 C ATOM 256 CG1 ILE A 19 6.042 9.691 4.576 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.324 8.494 5.957 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.728 8.519 3.908 1.00 0.00 C ATOM 0 H ILE A 19 4.168 10.720 2.439 1.00 0.00 H new ATOM 0 HA ILE A 19 4.172 7.919 3.361 1.00 0.00 H new ATOM 0 HB ILE A 19 4.097 10.427 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.177 10.580 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.527 9.889 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.807 8.873 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.255 8.383 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.751 7.525 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.786 8.746 3.772 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.624 7.632 4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.269 8.334 2.937 1.00 0.00 H new ATOM 270 N ILE A 20 1.794 7.980 4.309 1.00 0.00 N ATOM 271 CA ILE A 20 0.356 7.920 4.538 1.00 0.00 C ATOM 272 C ILE A 20 0.045 7.516 5.976 1.00 0.00 C ATOM 273 O ILE A 20 0.708 6.650 6.546 1.00 0.00 O ATOM 274 CB ILE A 20 -0.327 6.927 3.579 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.286 7.032 2.181 1.00 0.00 C ATOM 276 CG2 ILE A 20 -1.825 7.185 3.527 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.258 8.186 1.368 1.00 0.00 C ATOM 0 H ILE A 20 2.310 7.170 4.652 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.035 8.920 4.351 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.166 5.915 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.367 7.141 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.105 6.102 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.293 6.475 2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.250 7.065 4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.007 8.200 3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.221 8.199 0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.334 8.068 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.053 9.124 1.885 1.00 0.00 H new ATOM 289 N LYS A 21 -0.970 8.148 6.556 1.00 0.00 N ATOM 290 CA LYS A 21 -1.373 7.853 7.926 1.00 0.00 C ATOM 291 C LYS A 21 -2.839 7.439 7.985 1.00 0.00 C ATOM 292 O LYS A 21 -3.655 7.895 7.185 1.00 0.00 O ATOM 293 CB LYS A 21 -1.140 9.073 8.821 1.00 0.00 C ATOM 294 CG LYS A 21 0.319 9.482 8.923 1.00 0.00 C ATOM 295 CD LYS A 21 1.223 8.279 9.132 1.00 0.00 C ATOM 296 CE LYS A 21 2.461 8.645 9.937 1.00 0.00 C ATOM 297 NZ LYS A 21 2.109 9.264 11.245 1.00 0.00 N ATOM 0 H LYS A 21 -1.529 8.868 6.098 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.765 7.023 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.718 9.912 8.434 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.519 8.858 9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.615 10.007 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.445 10.181 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.671 7.493 9.648 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.523 7.875 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.060 7.751 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.077 9.337 9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.847 9.043 11.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.036 10.295 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.197 8.886 11.574 1.00 0.00 H new ATOM 311 N ASN A 22 -3.167 6.573 8.938 1.00 0.00 N ATOM 312 CA ASN A 22 -4.536 6.098 9.101 1.00 0.00 C ATOM 313 C ASN A 22 -5.034 5.424 7.826 1.00 0.00 C ATOM 314 O ASN A 22 -6.072 5.796 7.280 1.00 0.00 O ATOM 315 CB ASN A 22 -5.460 7.260 9.472 1.00 0.00 C ATOM 316 CG ASN A 22 -6.626 6.819 10.336 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.450 6.475 11.505 1.00 0.00 O ATOM 318 ND2 ASN A 22 -7.823 6.826 9.763 1.00 0.00 N ATOM 0 H ASN A 22 -2.504 6.186 9.609 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.546 5.363 9.906 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.887 8.021 10.001 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.841 7.723 8.562 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.645 6.538 10.295 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.921 7.119 8.791 1.00 0.00 H new ATOM 325 N MET A 23 -4.286 4.430 7.358 1.00 0.00 N ATOM 326 CA MET A 23 -4.653 3.703 6.148 1.00 0.00 C ATOM 327 C MET A 23 -4.802 2.212 6.434 1.00 0.00 C ATOM 328 O MET A 23 -5.475 1.493 5.696 1.00 0.00 O ATOM 329 CB MET A 23 -3.603 3.923 5.057 1.00 0.00 C ATOM 330 CG MET A 23 -2.181 3.651 5.519 1.00 0.00 C ATOM 331 SD MET A 23 -1.075 3.239 4.156 1.00 0.00 S ATOM 332 CE MET A 23 -1.959 1.875 3.403 1.00 0.00 C ATOM 0 H MET A 23 -3.423 4.110 7.798 1.00 0.00 H new ATOM 0 HA MET A 23 -5.613 4.086 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.831 3.277 4.209 1.00 0.00 H new ATOM 0 HB3 MET A 23 -3.670 4.951 4.701 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.798 4.529 6.040 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.187 2.831 6.237 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.251 1.098 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.674 1.467 4.117 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.490 2.229 2.519 1.00 0.00 H new ATOM 342 N PHE A 24 -4.168 1.754 7.508 1.00 0.00 N ATOM 343 CA PHE A 24 -4.229 0.348 7.891 1.00 0.00 C ATOM 344 C PHE A 24 -3.925 0.175 9.376 1.00 0.00 C ATOM 345 O PHE A 24 -3.640 1.144 10.080 1.00 0.00 O ATOM 346 CB PHE A 24 -3.242 -0.472 7.057 1.00 0.00 C ATOM 347 CG PHE A 24 -1.803 -0.162 7.355 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.191 -0.675 8.488 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.062 0.641 6.503 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.133 -0.390 8.765 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.262 0.929 6.775 1.00 0.00 C ATOM 352 CZ PHE A 24 0.861 0.411 7.907 1.00 0.00 C ATOM 0 H PHE A 24 -3.606 2.336 8.129 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.240 -0.011 7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.421 -1.532 7.235 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.433 -0.290 5.999 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.754 -1.304 9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.525 1.047 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.598 -0.794 9.652 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.828 1.558 6.104 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.896 0.632 8.121 1.00 0.00 H new ATOM 362 N HIS A 25 -3.988 -1.067 9.845 1.00 0.00 N ATOM 363 CA HIS A 25 -3.719 -1.369 11.247 1.00 0.00 C ATOM 364 C HIS A 25 -3.162 -2.781 11.401 1.00 0.00 C ATOM 365 O HIS A 25 -3.582 -3.718 10.721 1.00 0.00 O ATOM 366 CB HIS A 25 -4.994 -1.218 12.076 1.00 0.00 C ATOM 367 CG HIS A 25 -4.742 -0.798 13.492 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.779 -1.675 14.555 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.445 0.414 14.016 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.518 -1.020 15.672 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.311 0.250 15.373 1.00 0.00 N ATOM 0 H HIS A 25 -4.223 -1.880 9.276 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.973 -0.662 11.609 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.643 -0.484 11.598 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.531 -2.166 12.077 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.334 1.338 13.469 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -4.480 -1.450 16.662 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.088 0.988 16.041 1.00 0.00 H new ATOM 379 N PRO A 26 -2.194 -2.940 12.316 1.00 0.00 N ATOM 380 CA PRO A 26 -1.559 -4.234 12.581 1.00 0.00 C ATOM 381 C PRO A 26 -2.504 -5.213 13.268 1.00 0.00 C ATOM 382 O PRO A 26 -2.254 -6.418 13.292 1.00 0.00 O ATOM 383 CB PRO A 26 -0.395 -3.875 13.507 1.00 0.00 C ATOM 384 CG PRO A 26 -0.816 -2.611 14.173 1.00 0.00 C ATOM 385 CD PRO A 26 -1.645 -1.867 13.163 1.00 0.00 C ATOM 0 HA PRO A 26 -1.252 -4.733 11.662 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.211 -4.664 14.236 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.529 -3.738 12.946 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.393 -2.818 15.075 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.050 -2.023 14.477 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.435 -1.288 13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.042 -1.167 12.585 1.00 0.00 H new ATOM 393 N MET A 27 -3.590 -4.688 13.826 1.00 0.00 N ATOM 394 CA MET A 27 -4.574 -5.518 14.512 1.00 0.00 C ATOM 395 C MET A 27 -5.464 -6.247 13.511 1.00 0.00 C ATOM 396 O MET A 27 -6.009 -7.310 13.809 1.00 0.00 O ATOM 397 CB MET A 27 -5.431 -4.662 15.447 1.00 0.00 C ATOM 398 CG MET A 27 -6.088 -5.455 16.565 1.00 0.00 C ATOM 399 SD MET A 27 -5.121 -5.442 18.087 1.00 0.00 S ATOM 400 CE MET A 27 -4.111 -6.904 17.859 1.00 0.00 C ATOM 0 H MET A 27 -3.811 -3.692 13.817 1.00 0.00 H new ATOM 0 HA MET A 27 -4.038 -6.262 15.102 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.809 -3.881 15.884 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.205 -4.164 14.863 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.077 -5.043 16.764 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.231 -6.485 16.239 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.759 -7.258 18.828 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.703 -7.684 17.381 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.256 -6.661 17.229 1.00 0.00 H new ATOM 410 N ASP A 28 -5.608 -5.669 12.324 1.00 0.00 N ATOM 411 CA ASP A 28 -6.431 -6.264 11.278 1.00 0.00 C ATOM 412 C ASP A 28 -5.708 -7.433 10.615 1.00 0.00 C ATOM 413 O ASP A 28 -6.323 -8.441 10.268 1.00 0.00 O ATOM 414 CB ASP A 28 -6.799 -5.214 10.228 1.00 0.00 C ATOM 415 CG ASP A 28 -7.611 -4.074 10.810 1.00 0.00 C ATOM 416 OD1 ASP A 28 -7.219 -3.548 11.873 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.637 -3.706 10.202 1.00 0.00 O ATOM 0 H ASP A 28 -5.165 -4.788 12.062 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.344 -6.640 11.740 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.888 -4.816 9.781 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.366 -5.688 9.427 1.00 0.00 H new ATOM 422 N PHE A 29 -4.398 -7.289 10.442 1.00 0.00 N ATOM 423 CA PHE A 29 -3.591 -8.332 9.819 1.00 0.00 C ATOM 424 C PHE A 29 -3.563 -9.588 10.685 1.00 0.00 C ATOM 425 O PHE A 29 -3.381 -10.696 10.182 1.00 0.00 O ATOM 426 CB PHE A 29 -2.165 -7.829 9.583 1.00 0.00 C ATOM 427 CG PHE A 29 -2.104 -6.416 9.080 1.00 0.00 C ATOM 428 CD1 PHE A 29 -3.038 -5.949 8.169 1.00 0.00 C ATOM 429 CD2 PHE A 29 -1.112 -5.553 9.517 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.983 -4.649 7.704 1.00 0.00 C ATOM 431 CE2 PHE A 29 -1.052 -4.251 9.056 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.990 -3.799 8.149 1.00 0.00 C ATOM 0 H PHE A 29 -3.873 -6.461 10.724 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.044 -8.584 8.860 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.605 -7.899 10.515 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.672 -8.484 8.865 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.818 -6.609 7.818 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.376 -5.902 10.227 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.716 -4.298 6.993 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.273 -3.589 9.404 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.947 -2.782 7.788 1.00 0.00 H new ATOM 442 N GLU A 30 -3.743 -9.405 11.989 1.00 0.00 N ATOM 443 CA GLU A 30 -3.737 -10.523 12.925 1.00 0.00 C ATOM 444 C GLU A 30 -4.977 -11.393 12.742 1.00 0.00 C ATOM 445 O GLU A 30 -5.012 -12.544 13.178 1.00 0.00 O ATOM 446 CB GLU A 30 -3.667 -10.012 14.365 1.00 0.00 C ATOM 447 CG GLU A 30 -2.363 -9.306 14.698 1.00 0.00 C ATOM 448 CD GLU A 30 -1.969 -9.464 16.154 1.00 0.00 C ATOM 449 OE1 GLU A 30 -2.855 -9.335 17.025 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.776 -9.716 16.422 1.00 0.00 O ATOM 0 H GLU A 30 -3.895 -8.494 12.421 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.855 -11.130 12.720 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.496 -9.326 14.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.800 -10.852 15.047 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.568 -9.702 14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.458 -8.246 14.464 1.00 0.00 H new ATOM 457 N ASP A 31 -5.994 -10.834 12.095 1.00 0.00 N ATOM 458 CA ASP A 31 -7.237 -11.557 11.853 1.00 0.00 C ATOM 459 C ASP A 31 -7.266 -12.131 10.440 1.00 0.00 C ATOM 460 O ASP A 31 -7.942 -13.125 10.177 1.00 0.00 O ATOM 461 CB ASP A 31 -8.438 -10.636 12.068 1.00 0.00 C ATOM 462 CG ASP A 31 -9.751 -11.393 12.097 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.832 -12.413 12.813 1.00 0.00 O ATOM 464 OD2 ASP A 31 -10.698 -10.965 11.405 1.00 0.00 O ATOM 0 H ASP A 31 -5.982 -9.882 11.729 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.292 -12.383 12.562 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.313 -10.095 13.006 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.469 -9.892 11.272 1.00 0.00 H new ATOM 469 N ASP A 32 -6.529 -11.497 9.534 1.00 0.00 N ATOM 470 CA ASP A 32 -6.470 -11.944 8.148 1.00 0.00 C ATOM 471 C ASP A 32 -5.447 -11.133 7.358 1.00 0.00 C ATOM 472 O ASP A 32 -5.349 -9.913 7.491 1.00 0.00 O ATOM 473 CB ASP A 32 -7.847 -11.826 7.493 1.00 0.00 C ATOM 474 CG ASP A 32 -8.671 -13.089 7.646 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.072 -14.173 7.808 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.916 -12.994 7.605 1.00 0.00 O ATOM 0 H ASP A 32 -5.964 -10.672 9.735 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.161 -12.989 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.386 -10.988 7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.724 -11.602 6.433 1.00 0.00 H new ATOM 481 N PRO A 33 -4.665 -11.825 6.517 1.00 0.00 N ATOM 482 CA PRO A 33 -3.634 -11.190 5.690 1.00 0.00 C ATOM 483 C PRO A 33 -4.230 -10.327 4.583 1.00 0.00 C ATOM 484 O PRO A 33 -3.694 -9.270 4.248 1.00 0.00 O ATOM 485 CB PRO A 33 -2.876 -12.378 5.093 1.00 0.00 C ATOM 486 CG PRO A 33 -3.860 -13.496 5.097 1.00 0.00 C ATOM 487 CD PRO A 33 -4.726 -13.281 6.307 1.00 0.00 C ATOM 0 HA PRO A 33 -3.005 -10.514 6.270 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.529 -12.159 4.083 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.995 -12.624 5.686 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.457 -13.494 4.185 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.355 -14.461 5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.748 -13.620 6.135 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.350 -13.828 7.172 1.00 0.00 H new ATOM 495 N LEU A 34 -5.342 -10.785 4.017 1.00 0.00 N ATOM 496 CA LEU A 34 -6.011 -10.054 2.946 1.00 0.00 C ATOM 497 C LEU A 34 -5.981 -8.552 3.210 1.00 0.00 C ATOM 498 O LEU A 34 -5.671 -7.761 2.319 1.00 0.00 O ATOM 499 CB LEU A 34 -7.458 -10.530 2.805 1.00 0.00 C ATOM 500 CG LEU A 34 -7.663 -11.839 2.042 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.704 -11.584 0.544 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.564 -12.834 2.386 1.00 0.00 C ATOM 0 H LEU A 34 -5.799 -11.658 4.282 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.477 -10.251 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.880 -10.645 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.029 -9.748 2.305 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.620 -12.266 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.851 -12.527 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.527 -10.908 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.764 -11.134 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.726 -13.760 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.595 -12.414 2.115 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.583 -13.041 3.456 1.00 0.00 H new ATOM 514 N VAL A 35 -6.303 -8.166 4.440 1.00 0.00 N ATOM 515 CA VAL A 35 -6.309 -6.759 4.823 1.00 0.00 C ATOM 516 C VAL A 35 -5.062 -6.045 4.314 1.00 0.00 C ATOM 517 O VAL A 35 -5.154 -5.051 3.592 1.00 0.00 O ATOM 518 CB VAL A 35 -6.394 -6.594 6.352 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.440 -5.121 6.728 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.607 -7.330 6.901 1.00 0.00 C ATOM 0 H VAL A 35 -6.563 -8.808 5.189 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.192 -6.311 4.367 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.500 -7.031 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.500 -5.024 7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.538 -4.625 6.369 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.315 -4.657 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.651 -7.203 7.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.513 -6.925 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.527 -8.391 6.664 1.00 0.00 H new ATOM 530 N LEU A 36 -3.897 -6.559 4.693 1.00 0.00 N ATOM 531 CA LEU A 36 -2.630 -5.971 4.274 1.00 0.00 C ATOM 532 C LEU A 36 -2.437 -6.108 2.768 1.00 0.00 C ATOM 533 O LEU A 36 -1.847 -5.240 2.126 1.00 0.00 O ATOM 534 CB LEU A 36 -1.467 -6.638 5.012 1.00 0.00 C ATOM 535 CG LEU A 36 -0.140 -5.878 4.999 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.188 -4.703 5.963 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.011 -6.810 5.349 1.00 0.00 C ATOM 0 H LEU A 36 -3.804 -7.381 5.289 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.650 -4.910 4.523 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.763 -6.794 6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.303 -7.623 4.575 1.00 0.00 H new ATOM 0 HG LEU A 36 0.025 -5.490 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.765 -4.174 5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.987 -4.023 5.668 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.376 -5.068 6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.948 -6.253 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.852 -7.227 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.059 -7.619 4.620 1.00 0.00 H new ATOM 549 N ASN A 37 -2.940 -7.205 2.210 1.00 0.00 N ATOM 550 CA ASN A 37 -2.824 -7.455 0.778 1.00 0.00 C ATOM 551 C ASN A 37 -3.537 -6.371 -0.024 1.00 0.00 C ATOM 552 O ASN A 37 -2.915 -5.652 -0.805 1.00 0.00 O ATOM 553 CB ASN A 37 -3.406 -8.827 0.430 1.00 0.00 C ATOM 554 CG ASN A 37 -2.399 -9.946 0.616 1.00 0.00 C ATOM 555 OD1 ASN A 37 -2.760 -10.940 1.419 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -1.310 -9.917 0.043 1.00 0.00 N flip ATOM 0 H ASN A 37 -3.431 -7.934 2.727 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.766 -7.439 0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.278 -9.018 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.751 -8.821 -0.604 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.075 -9.133 -0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.643 -10.677 0.176 1.00 0.00 H new ATOM 563 N GLU A 38 -4.847 -6.259 0.176 1.00 0.00 N ATOM 564 CA GLU A 38 -5.645 -5.262 -0.528 1.00 0.00 C ATOM 565 C GLU A 38 -5.089 -3.859 -0.298 1.00 0.00 C ATOM 566 O GLU A 38 -4.988 -3.060 -1.230 1.00 0.00 O ATOM 567 CB GLU A 38 -7.103 -5.326 -0.069 1.00 0.00 C ATOM 568 CG GLU A 38 -7.274 -5.863 1.341 1.00 0.00 C ATOM 569 CD GLU A 38 -8.459 -5.248 2.060 1.00 0.00 C ATOM 570 OE1 GLU A 38 -8.420 -4.031 2.335 1.00 0.00 O ATOM 571 OE2 GLU A 38 -9.426 -5.985 2.347 1.00 0.00 O ATOM 0 H GLU A 38 -5.378 -6.846 0.819 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.598 -5.483 -1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.536 -4.327 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.665 -5.955 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.400 -6.945 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.366 -5.669 1.912 1.00 0.00 H new ATOM 578 N ILE A 39 -4.731 -3.568 0.948 1.00 0.00 N ATOM 579 CA ILE A 39 -4.185 -2.263 1.300 1.00 0.00 C ATOM 580 C ILE A 39 -2.882 -1.993 0.555 1.00 0.00 C ATOM 581 O ILE A 39 -2.739 -0.970 -0.115 1.00 0.00 O ATOM 582 CB ILE A 39 -3.930 -2.150 2.814 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.245 -2.279 3.586 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.247 -0.830 3.139 1.00 0.00 C ATOM 585 CD1 ILE A 39 -5.059 -2.669 5.036 1.00 0.00 C ATOM 0 H ILE A 39 -4.809 -4.218 1.730 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.928 -1.521 1.008 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.270 -2.963 3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.779 -1.330 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.873 -3.023 3.096 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.073 -0.765 4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.294 -0.774 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.884 -0.004 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.032 -2.742 5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.553 -3.633 5.092 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.457 -1.914 5.542 1.00 0.00 H new ATOM 597 N ARG A 40 -1.936 -2.918 0.674 1.00 0.00 N ATOM 598 CA ARG A 40 -0.645 -2.780 0.012 1.00 0.00 C ATOM 599 C ARG A 40 -0.825 -2.512 -1.480 1.00 0.00 C ATOM 600 O ARG A 40 -0.393 -1.480 -1.991 1.00 0.00 O ATOM 601 CB ARG A 40 0.195 -4.042 0.217 1.00 0.00 C ATOM 602 CG ARG A 40 1.610 -3.927 -0.328 1.00 0.00 C ATOM 603 CD ARG A 40 2.141 -5.276 -0.786 1.00 0.00 C ATOM 604 NE ARG A 40 1.646 -5.638 -2.111 1.00 0.00 N ATOM 605 CZ ARG A 40 2.192 -6.585 -2.867 1.00 0.00 C ATOM 606 NH1 ARG A 40 3.246 -7.260 -2.430 1.00 0.00 N ATOM 607 NH2 ARG A 40 1.684 -6.857 -4.062 1.00 0.00 N ATOM 0 H ARG A 40 -2.039 -3.771 1.223 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.126 -1.931 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.242 -4.268 1.282 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.304 -4.883 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.624 -3.227 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.265 -3.519 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.231 -5.251 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.850 -6.043 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 40 0.837 -5.136 -2.477 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.639 -7.053 -1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.663 -7.986 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.874 -6.339 -4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.104 -7.584 -4.641 1.00 0.00 H new ATOM 621 N GLU A 41 -1.465 -3.451 -2.171 1.00 0.00 N ATOM 622 CA GLU A 41 -1.700 -3.316 -3.604 1.00 0.00 C ATOM 623 C GLU A 41 -2.433 -2.014 -3.915 1.00 0.00 C ATOM 624 O GLU A 41 -2.183 -1.378 -4.939 1.00 0.00 O ATOM 625 CB GLU A 41 -2.510 -4.506 -4.124 1.00 0.00 C ATOM 626 CG GLU A 41 -4.013 -4.298 -4.051 1.00 0.00 C ATOM 627 CD GLU A 41 -4.576 -3.663 -5.307 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.288 -4.171 -6.410 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.306 -2.656 -5.186 1.00 0.00 O ATOM 0 H GLU A 41 -1.829 -4.312 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.732 -3.297 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.229 -4.702 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.246 -5.393 -3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.501 -5.258 -3.884 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.247 -3.668 -3.193 1.00 0.00 H new ATOM 636 N ASP A 42 -3.337 -1.623 -3.024 1.00 0.00 N ATOM 637 CA ASP A 42 -4.106 -0.397 -3.202 1.00 0.00 C ATOM 638 C ASP A 42 -3.183 0.814 -3.298 1.00 0.00 C ATOM 639 O ASP A 42 -3.389 1.700 -4.129 1.00 0.00 O ATOM 640 CB ASP A 42 -5.089 -0.214 -2.044 1.00 0.00 C ATOM 641 CG ASP A 42 -6.424 -0.884 -2.306 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.849 -0.918 -3.480 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.043 -1.372 -1.338 1.00 0.00 O ATOM 0 H ASP A 42 -3.555 -2.137 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.665 -0.480 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.653 -0.624 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.248 0.850 -1.871 1.00 0.00 H new ATOM 648 N LEU A 43 -2.166 0.846 -2.444 1.00 0.00 N ATOM 649 CA LEU A 43 -1.212 1.948 -2.432 1.00 0.00 C ATOM 650 C LEU A 43 -0.347 1.934 -3.689 1.00 0.00 C ATOM 651 O LEU A 43 0.131 2.976 -4.137 1.00 0.00 O ATOM 652 CB LEU A 43 -0.325 1.868 -1.188 1.00 0.00 C ATOM 653 CG LEU A 43 -0.806 2.655 0.031 1.00 0.00 C ATOM 654 CD1 LEU A 43 0.183 2.521 1.178 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.014 4.120 -0.328 1.00 0.00 C ATOM 0 H LEU A 43 -1.981 0.121 -1.751 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.774 2.882 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.226 0.820 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.671 2.221 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.762 2.241 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.177 3.088 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.282 1.471 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.154 2.908 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.356 4.665 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.073 4.547 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.762 4.199 -1.117 1.00 0.00 H new ATOM 667 N ARG A 44 -0.152 0.746 -4.253 1.00 0.00 N ATOM 668 CA ARG A 44 0.654 0.596 -5.459 1.00 0.00 C ATOM 669 C ARG A 44 -0.165 0.922 -6.704 1.00 0.00 C ATOM 670 O ARG A 44 0.380 1.337 -7.727 1.00 0.00 O ATOM 671 CB ARG A 44 1.205 -0.828 -5.555 1.00 0.00 C ATOM 672 CG ARG A 44 2.518 -0.922 -6.315 1.00 0.00 C ATOM 673 CD ARG A 44 2.288 -1.037 -7.813 1.00 0.00 C ATOM 674 NE ARG A 44 3.410 -1.681 -8.492 1.00 0.00 N ATOM 675 CZ ARG A 44 3.713 -2.967 -8.351 1.00 0.00 C ATOM 676 NH1 ARG A 44 2.983 -3.741 -7.561 1.00 0.00 N ATOM 677 NH2 ARG A 44 4.749 -3.480 -9.001 1.00 0.00 N ATOM 0 H ARG A 44 -0.541 -0.126 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 44 1.487 1.297 -5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.348 -1.222 -4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.466 -1.463 -6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.125 -0.041 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.081 -1.787 -5.965 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.377 -1.607 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.132 -0.043 -8.233 1.00 0.00 H new ATOM 0 HE ARG A 44 3.992 -1.113 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.186 -3.350 -7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.218 -4.728 -7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.314 -2.887 -9.609 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.981 -4.467 -8.892 1.00 0.00 H new ATOM 691 N VAL A 45 -1.477 0.730 -6.610 1.00 0.00 N ATOM 692 CA VAL A 45 -2.372 1.004 -7.729 1.00 0.00 C ATOM 693 C VAL A 45 -2.886 2.438 -7.683 1.00 0.00 C ATOM 694 O VAL A 45 -3.246 3.012 -8.710 1.00 0.00 O ATOM 695 CB VAL A 45 -3.572 0.040 -7.736 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.129 -1.368 -7.368 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.656 0.531 -6.789 1.00 0.00 C ATOM 0 H VAL A 45 -1.944 0.386 -5.771 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.793 0.858 -8.641 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.987 0.013 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.991 -2.035 -7.378 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.391 -1.718 -8.090 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.687 -1.362 -6.372 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.496 -0.163 -6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.256 0.590 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.994 1.518 -7.103 1.00 0.00 H new ATOM 707 N GLU A 46 -2.918 3.012 -6.484 1.00 0.00 N ATOM 708 CA GLU A 46 -3.390 4.380 -6.304 1.00 0.00 C ATOM 709 C GLU A 46 -2.329 5.383 -6.748 1.00 0.00 C ATOM 710 O GLU A 46 -2.631 6.356 -7.440 1.00 0.00 O ATOM 711 CB GLU A 46 -3.760 4.627 -4.840 1.00 0.00 C ATOM 712 CG GLU A 46 -2.581 5.039 -3.975 1.00 0.00 C ATOM 713 CD GLU A 46 -3.000 5.462 -2.581 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.194 5.309 -2.249 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.134 5.947 -1.822 1.00 0.00 O ATOM 0 H GLU A 46 -2.623 2.551 -5.623 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.277 4.516 -6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.523 5.404 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.203 3.720 -4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.880 4.207 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.052 5.861 -4.456 1.00 0.00 H new ATOM 722 N CYS A 47 -1.087 5.140 -6.345 1.00 0.00 N ATOM 723 CA CYS A 47 0.019 6.022 -6.700 1.00 0.00 C ATOM 724 C CYS A 47 0.387 5.867 -8.172 1.00 0.00 C ATOM 725 O CYS A 47 1.056 6.725 -8.749 1.00 0.00 O ATOM 726 CB CYS A 47 1.236 5.726 -5.823 1.00 0.00 C ATOM 727 SG CYS A 47 1.137 6.429 -4.161 1.00 0.00 S ATOM 0 H CYS A 47 -0.820 4.339 -5.772 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.300 7.051 -6.531 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.358 4.646 -5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.128 6.112 -6.316 1.00 0.00 H new ATOM 0 HG CYS A 47 1.822 7.533 -4.115 1.00 0.00 H new ATOM 733 N SER A 48 -0.053 4.767 -8.774 1.00 0.00 N ATOM 734 CA SER A 48 0.235 4.496 -10.178 1.00 0.00 C ATOM 735 C SER A 48 -0.741 5.238 -11.086 1.00 0.00 C ATOM 736 O SER A 48 -0.408 5.595 -12.216 1.00 0.00 O ATOM 737 CB SER A 48 0.165 2.993 -10.455 1.00 0.00 C ATOM 738 OG SER A 48 0.491 2.707 -11.804 1.00 0.00 O ATOM 0 H SER A 48 -0.610 4.049 -8.312 1.00 0.00 H new ATOM 0 HA SER A 48 1.244 4.850 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.851 2.466 -9.792 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.837 2.626 -10.234 1.00 0.00 H new ATOM 0 HG SER A 48 0.946 3.479 -12.201 1.00 0.00 H new ATOM 744 N LYS A 49 -1.950 5.466 -10.583 1.00 0.00 N ATOM 745 CA LYS A 49 -2.977 6.166 -11.345 1.00 0.00 C ATOM 746 C LYS A 49 -2.395 7.391 -12.044 1.00 0.00 C ATOM 747 O LYS A 49 -2.688 7.649 -13.212 1.00 0.00 O ATOM 748 CB LYS A 49 -4.125 6.588 -10.426 1.00 0.00 C ATOM 749 CG LYS A 49 -4.735 5.436 -9.646 1.00 0.00 C ATOM 750 CD LYS A 49 -5.083 4.270 -10.556 1.00 0.00 C ATOM 751 CE LYS A 49 -6.022 3.289 -9.870 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.451 3.642 -10.090 1.00 0.00 N ATOM 0 H LYS A 49 -2.242 5.176 -9.650 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.360 5.483 -12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.760 7.338 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.903 7.063 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.036 5.104 -8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.633 5.778 -9.132 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.549 4.645 -11.467 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.170 3.754 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.834 2.283 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.812 3.273 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.058 2.950 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.637 4.591 -9.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.658 3.632 -11.109 1.00 0.00 H new ATOM 766 N PHE A 50 -1.569 8.142 -11.324 1.00 0.00 N ATOM 767 CA PHE A 50 -0.946 9.339 -11.875 1.00 0.00 C ATOM 768 C PHE A 50 0.304 8.983 -12.674 1.00 0.00 C ATOM 769 O PHE A 50 0.714 9.722 -13.568 1.00 0.00 O ATOM 770 CB PHE A 50 -0.587 10.316 -10.754 1.00 0.00 C ATOM 771 CG PHE A 50 -1.572 10.315 -9.620 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.533 9.324 -8.652 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.536 11.305 -9.521 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.438 9.320 -7.608 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.444 11.307 -8.479 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.394 10.313 -7.520 1.00 0.00 C ATOM 0 H PHE A 50 -1.315 7.942 -10.356 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.662 9.814 -12.546 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.401 10.066 -10.367 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.522 11.323 -11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.787 8.546 -8.714 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.579 12.085 -10.267 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.398 8.541 -6.861 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.191 12.084 -8.414 1.00 0.00 H new ATOM 0 HZ PHE A 50 -4.101 10.313 -6.704 1.00 0.00 H new ATOM 786 N GLY A 51 0.906 7.844 -12.344 1.00 0.00 N ATOM 787 CA GLY A 51 2.103 7.409 -13.039 1.00 0.00 C ATOM 788 C GLY A 51 2.475 5.976 -12.712 1.00 0.00 C ATOM 789 O GLY A 51 1.813 5.040 -13.158 1.00 0.00 O ATOM 0 H GLY A 51 0.586 7.215 -11.608 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.950 7.505 -14.114 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.932 8.066 -12.775 1.00 0.00 H new ATOM 793 N GLN A 52 3.538 5.806 -11.932 1.00 0.00 N ATOM 794 CA GLN A 52 3.998 4.477 -11.548 1.00 0.00 C ATOM 795 C GLN A 52 4.515 4.473 -10.113 1.00 0.00 C ATOM 796 O GLN A 52 4.539 5.510 -9.449 1.00 0.00 O ATOM 797 CB GLN A 52 5.096 3.999 -12.500 1.00 0.00 C ATOM 798 CG GLN A 52 4.573 3.537 -13.850 1.00 0.00 C ATOM 799 CD GLN A 52 5.682 3.107 -14.790 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.095 1.947 -14.792 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.170 4.042 -15.597 1.00 0.00 N ATOM 0 H GLN A 52 4.096 6.571 -11.554 1.00 0.00 H new ATOM 0 HA GLN A 52 3.150 3.795 -11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.809 4.809 -12.654 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.640 3.179 -12.031 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.884 2.705 -13.703 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.004 4.345 -14.311 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.798 4.991 -15.562 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.917 3.811 -16.252 1.00 0.00 H new ATOM 810 N ILE A 53 4.928 3.301 -9.642 1.00 0.00 N ATOM 811 CA ILE A 53 5.445 3.164 -8.286 1.00 0.00 C ATOM 812 C ILE A 53 6.887 2.669 -8.295 1.00 0.00 C ATOM 813 O ILE A 53 7.145 1.481 -8.493 1.00 0.00 O ATOM 814 CB ILE A 53 4.587 2.194 -7.452 1.00 0.00 C ATOM 815 CG1 ILE A 53 3.110 2.332 -7.828 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.787 2.454 -5.966 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.560 3.725 -7.614 1.00 0.00 C ATOM 0 H ILE A 53 4.915 2.434 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 53 5.406 4.154 -7.832 1.00 0.00 H new ATOM 0 HB ILE A 53 4.904 1.174 -7.669 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.983 2.057 -8.875 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.526 1.625 -7.239 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.174 1.761 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.837 2.310 -5.709 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.494 3.478 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.509 3.749 -7.901 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.655 3.996 -6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.119 4.435 -8.224 1.00 0.00 H new ATOM 829 N ARG A 54 7.823 3.587 -8.078 1.00 0.00 N ATOM 830 CA ARG A 54 9.240 3.244 -8.061 1.00 0.00 C ATOM 831 C ARG A 54 9.549 2.264 -6.932 1.00 0.00 C ATOM 832 O ARG A 54 10.465 1.448 -7.037 1.00 0.00 O ATOM 833 CB ARG A 54 10.090 4.505 -7.901 1.00 0.00 C ATOM 834 CG ARG A 54 10.325 5.250 -9.205 1.00 0.00 C ATOM 835 CD ARG A 54 11.431 4.604 -10.025 1.00 0.00 C ATOM 836 NE ARG A 54 12.578 4.235 -9.201 1.00 0.00 N ATOM 837 CZ ARG A 54 13.462 3.305 -9.547 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.330 2.654 -10.694 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.480 3.025 -8.743 1.00 0.00 N ATOM 0 H ARG A 54 7.626 4.574 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 54 9.484 2.767 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.602 5.174 -7.193 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.053 4.232 -7.470 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.403 5.268 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.587 6.286 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.042 3.716 -10.523 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.752 5.293 -10.806 1.00 0.00 H new ATOM 0 HE ARG A 54 12.708 4.717 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.548 2.866 -11.314 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.010 1.941 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.584 3.524 -7.859 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.158 2.311 -9.009 1.00 0.00 H new ATOM 853 N LYS A 55 8.778 2.350 -5.854 1.00 0.00 N ATOM 854 CA LYS A 55 8.967 1.471 -4.705 1.00 0.00 C ATOM 855 C LYS A 55 7.800 1.592 -3.730 1.00 0.00 C ATOM 856 O LYS A 55 7.293 2.687 -3.486 1.00 0.00 O ATOM 857 CB LYS A 55 10.278 1.805 -3.992 1.00 0.00 C ATOM 858 CG LYS A 55 10.462 1.066 -2.678 1.00 0.00 C ATOM 859 CD LYS A 55 10.871 -0.380 -2.904 1.00 0.00 C ATOM 860 CE LYS A 55 11.689 -0.917 -1.739 1.00 0.00 C ATOM 861 NZ LYS A 55 13.081 -0.390 -1.750 1.00 0.00 N ATOM 0 H LYS A 55 8.016 3.020 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 55 9.010 0.444 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.112 1.567 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.316 2.878 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.220 1.570 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.533 1.098 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.981 -0.994 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.452 -0.455 -3.823 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.206 -0.646 -0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.712 -2.006 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.413 -0.266 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.703 -1.061 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.101 0.527 -2.241 1.00 0.00 H new ATOM 875 N LEU A 56 7.380 0.460 -3.175 1.00 0.00 N ATOM 876 CA LEU A 56 6.273 0.440 -2.224 1.00 0.00 C ATOM 877 C LEU A 56 6.651 -0.335 -0.966 1.00 0.00 C ATOM 878 O LEU A 56 7.190 -1.440 -1.042 1.00 0.00 O ATOM 879 CB LEU A 56 5.034 -0.184 -2.868 1.00 0.00 C ATOM 880 CG LEU A 56 3.689 0.216 -2.261 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.163 1.483 -2.917 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.682 -0.916 -2.401 1.00 0.00 C ATOM 0 H LEU A 56 7.788 -0.455 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 56 6.049 1.469 -1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.026 0.081 -3.925 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.127 -1.269 -2.812 1.00 0.00 H new ATOM 0 HG LEU A 56 3.837 0.415 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.205 1.752 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.875 2.294 -2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.032 1.312 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.731 -0.613 -1.963 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.539 -1.147 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.054 -1.800 -1.883 1.00 0.00 H new ATOM 894 N LEU A 57 6.364 0.251 0.191 1.00 0.00 N ATOM 895 CA LEU A 57 6.671 -0.385 1.468 1.00 0.00 C ATOM 896 C LEU A 57 5.585 -0.092 2.498 1.00 0.00 C ATOM 897 O LEU A 57 5.331 1.064 2.836 1.00 0.00 O ATOM 898 CB LEU A 57 8.026 0.099 1.988 1.00 0.00 C ATOM 899 CG LEU A 57 9.204 -0.039 1.022 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.352 0.863 1.448 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.662 -1.487 0.943 1.00 0.00 C ATOM 0 H LEU A 57 5.919 1.165 0.272 1.00 0.00 H new ATOM 0 HA LEU A 57 6.713 -1.462 1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.932 1.148 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.262 -0.453 2.898 1.00 0.00 H new ATOM 0 HG LEU A 57 8.874 0.271 0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.181 0.751 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.018 1.900 1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.681 0.585 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.501 -1.566 0.251 1.00 0.00 H new ATOM 0 HD22 LEU A 57 9.974 -1.824 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.840 -2.110 0.590 1.00 0.00 H new ATOM 913 N LEU A 58 4.948 -1.147 2.994 1.00 0.00 N ATOM 914 CA LEU A 58 3.890 -1.004 3.988 1.00 0.00 C ATOM 915 C LEU A 58 4.414 -1.305 5.389 1.00 0.00 C ATOM 916 O LEU A 58 4.810 -2.432 5.686 1.00 0.00 O ATOM 917 CB LEU A 58 2.723 -1.936 3.657 1.00 0.00 C ATOM 918 CG LEU A 58 1.335 -1.447 4.071 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.255 -2.330 3.466 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.211 -1.414 5.587 1.00 0.00 C ATOM 0 H LEU A 58 5.146 -2.111 2.724 1.00 0.00 H new ATOM 0 HA LEU A 58 3.541 0.028 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.718 -2.112 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.905 -2.898 4.136 1.00 0.00 H new ATOM 0 HG LEU A 58 1.201 -0.433 3.693 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.726 -1.966 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.329 -2.303 2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.386 -3.355 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.217 -1.063 5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.367 -2.416 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.961 -0.739 5.999 1.00 0.00 H new ATOM 932 N PHE A 59 4.411 -0.290 6.246 1.00 0.00 N ATOM 933 CA PHE A 59 4.885 -0.446 7.617 1.00 0.00 C ATOM 934 C PHE A 59 3.791 -1.027 8.508 1.00 0.00 C ATOM 935 O PHE A 59 3.327 -0.376 9.444 1.00 0.00 O ATOM 936 CB PHE A 59 5.351 0.901 8.174 1.00 0.00 C ATOM 937 CG PHE A 59 6.302 1.628 7.267 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.983 0.950 6.268 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.516 2.989 7.414 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.858 1.617 5.432 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.390 3.661 6.580 1.00 0.00 C ATOM 942 CZ PHE A 59 8.063 2.973 5.588 1.00 0.00 C ATOM 0 H PHE A 59 4.086 0.649 6.016 1.00 0.00 H new ATOM 0 HA PHE A 59 5.727 -1.138 7.608 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.480 1.531 8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.833 0.739 9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.828 -0.111 6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.994 3.531 8.189 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.381 1.077 4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.547 4.722 6.703 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.748 3.495 4.936 1.00 0.00 H new ATOM 952 N ASP A 60 3.384 -2.256 8.209 1.00 0.00 N ATOM 953 CA ASP A 60 2.345 -2.926 8.983 1.00 0.00 C ATOM 954 C ASP A 60 2.644 -2.848 10.477 1.00 0.00 C ATOM 955 O ASP A 60 1.737 -2.920 11.306 1.00 0.00 O ATOM 956 CB ASP A 60 2.220 -4.387 8.550 1.00 0.00 C ATOM 957 CG ASP A 60 3.254 -5.277 9.211 1.00 0.00 C ATOM 958 OD1 ASP A 60 3.025 -5.698 10.365 1.00 0.00 O ATOM 959 OD2 ASP A 60 4.292 -5.554 8.575 1.00 0.00 O ATOM 0 H ASP A 60 3.757 -2.808 7.437 1.00 0.00 H new ATOM 0 HA ASP A 60 1.400 -2.417 8.794 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.222 -4.751 8.794 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.327 -4.453 7.467 1.00 0.00 H new ATOM 964 N ARG A 61 3.922 -2.703 10.812 1.00 0.00 N ATOM 965 CA ARG A 61 4.341 -2.618 12.206 1.00 0.00 C ATOM 966 C ARG A 61 3.677 -1.434 12.902 1.00 0.00 C ATOM 967 O ARG A 61 3.022 -1.594 13.933 1.00 0.00 O ATOM 968 CB ARG A 61 5.863 -2.489 12.296 1.00 0.00 C ATOM 969 CG ARG A 61 6.586 -3.825 12.338 1.00 0.00 C ATOM 970 CD ARG A 61 6.425 -4.587 11.032 1.00 0.00 C ATOM 971 NE ARG A 61 7.477 -5.583 10.846 1.00 0.00 N ATOM 972 CZ ARG A 61 8.724 -5.280 10.503 1.00 0.00 C ATOM 973 NH1 ARG A 61 9.073 -4.016 10.310 1.00 0.00 N ATOM 974 NH2 ARG A 61 9.624 -6.243 10.353 1.00 0.00 N ATOM 0 H ARG A 61 4.685 -2.642 10.138 1.00 0.00 H new ATOM 0 HA ARG A 61 4.030 -3.534 12.709 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.222 -1.918 11.440 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.119 -1.919 13.189 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.645 -3.661 12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.197 -4.425 13.161 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.453 -5.080 11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.439 -3.885 10.198 1.00 0.00 H new ATOM 0 HE ARG A 61 7.241 -6.565 10.987 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.383 -3.273 10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.031 -3.786 10.047 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.359 -7.217 10.501 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.581 -6.010 10.090 1.00 0.00 H new ATOM 988 N HIS A 62 3.851 -0.246 12.333 1.00 0.00 N ATOM 989 CA HIS A 62 3.269 0.966 12.899 1.00 0.00 C ATOM 990 C HIS A 62 1.770 0.794 13.125 1.00 0.00 C ATOM 991 O HIS A 62 1.005 0.523 12.198 1.00 0.00 O ATOM 992 CB HIS A 62 3.525 2.159 11.978 1.00 0.00 C ATOM 993 CG HIS A 62 3.695 3.455 12.709 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.643 4.298 13.000 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.803 4.050 13.209 1.00 0.00 C ATOM 996 CE1 HIS A 62 3.097 5.357 13.647 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.405 5.231 13.787 1.00 0.00 N ATOM 0 H HIS A 62 4.390 -0.096 11.480 1.00 0.00 H new ATOM 0 HA HIS A 62 3.745 1.153 13.862 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.420 1.965 11.386 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.694 2.252 11.279 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.812 3.668 13.162 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.500 6.185 14.001 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.019 5.902 14.249 1.00 0.00 H new ATOM 1005 N PRO A 63 1.338 0.955 14.384 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.073 0.822 14.760 1.00 0.00 C ATOM 1007 C PRO A 63 -0.927 1.962 14.218 1.00 0.00 C ATOM 1008 O PRO A 63 -2.156 1.902 14.256 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.037 0.860 16.290 1.00 0.00 C ATOM 1010 CG PRO A 63 1.205 1.613 16.621 1.00 0.00 C ATOM 1011 CD PRO A 63 2.193 1.279 15.538 1.00 0.00 C ATOM 0 HA PRO A 63 -0.520 -0.085 14.353 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.920 1.355 16.695 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.014 -0.145 16.711 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.013 2.685 16.657 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.587 1.324 17.600 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.855 2.119 15.325 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.826 0.437 15.818 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.269 3.000 13.715 1.00 0.00 N ATOM 1020 CA ASP A 64 -0.969 4.155 13.163 1.00 0.00 C ATOM 1021 C ASP A 64 -1.014 4.086 11.640 1.00 0.00 C ATOM 1022 O ASP A 64 -1.066 5.112 10.963 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.289 5.451 13.608 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.254 6.619 13.670 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.199 6.566 14.485 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.063 7.586 12.904 1.00 0.00 O ATOM 0 H ASP A 64 0.748 3.066 13.678 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.992 4.143 13.539 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.162 5.303 14.589 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.521 5.689 12.918 1.00 0.00 H new ATOM 1031 N GLY A 65 -0.992 2.868 11.106 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.029 2.688 9.667 1.00 0.00 C ATOM 1033 C GLY A 65 -0.125 3.662 8.937 1.00 0.00 C ATOM 1034 O GLY A 65 -0.533 4.780 8.619 1.00 0.00 O ATOM 0 H GLY A 65 -0.949 2.003 11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.731 1.668 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.053 2.813 9.315 1.00 0.00 H new ATOM 1038 N VAL A 66 1.107 3.239 8.672 1.00 0.00 N ATOM 1039 CA VAL A 66 2.071 4.082 7.976 1.00 0.00 C ATOM 1040 C VAL A 66 2.627 3.378 6.743 1.00 0.00 C ATOM 1041 O VAL A 66 3.056 2.227 6.813 1.00 0.00 O ATOM 1042 CB VAL A 66 3.240 4.477 8.898 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.307 5.228 8.116 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.737 5.312 10.066 1.00 0.00 C ATOM 0 H VAL A 66 1.461 2.317 8.929 1.00 0.00 H new ATOM 0 HA VAL A 66 1.540 4.983 7.669 1.00 0.00 H new ATOM 0 HB VAL A 66 3.689 3.567 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.125 5.499 8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.687 4.592 7.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.875 6.132 7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.576 5.583 10.708 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.262 6.217 9.688 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.012 4.735 10.640 1.00 0.00 H new ATOM 1054 N ALA A 67 2.616 4.079 5.613 1.00 0.00 N ATOM 1055 CA ALA A 67 3.121 3.522 4.364 1.00 0.00 C ATOM 1056 C ALA A 67 4.026 4.517 3.647 1.00 0.00 C ATOM 1057 O ALA A 67 3.836 5.729 3.748 1.00 0.00 O ATOM 1058 CB ALA A 67 1.965 3.112 3.463 1.00 0.00 C ATOM 0 H ALA A 67 2.263 5.033 5.537 1.00 0.00 H new ATOM 0 HA ALA A 67 3.713 2.638 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.357 2.698 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.359 2.360 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.350 3.984 3.240 1.00 0.00 H new ATOM 1064 N SER A 68 5.012 3.997 2.922 1.00 0.00 N ATOM 1065 CA SER A 68 5.950 4.841 2.191 1.00 0.00 C ATOM 1066 C SER A 68 5.968 4.476 0.709 1.00 0.00 C ATOM 1067 O SER A 68 6.490 3.430 0.322 1.00 0.00 O ATOM 1068 CB SER A 68 7.356 4.705 2.778 1.00 0.00 C ATOM 1069 OG SER A 68 7.587 5.681 3.779 1.00 0.00 O ATOM 0 H SER A 68 5.182 2.996 2.825 1.00 0.00 H new ATOM 0 HA SER A 68 5.622 5.876 2.289 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.482 3.708 3.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.096 4.810 1.985 1.00 0.00 H new ATOM 0 HG SER A 68 7.687 5.240 4.649 1.00 0.00 H new ATOM 1075 N VAL A 69 5.395 5.346 -0.115 1.00 0.00 N ATOM 1076 CA VAL A 69 5.346 5.118 -1.554 1.00 0.00 C ATOM 1077 C VAL A 69 6.353 5.998 -2.286 1.00 0.00 C ATOM 1078 O VAL A 69 6.226 7.222 -2.302 1.00 0.00 O ATOM 1079 CB VAL A 69 3.938 5.390 -2.118 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.738 4.654 -3.434 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.874 4.990 -1.107 1.00 0.00 C ATOM 0 H VAL A 69 4.958 6.216 0.189 1.00 0.00 H new ATOM 0 HA VAL A 69 5.599 4.070 -1.716 1.00 0.00 H new ATOM 0 HB VAL A 69 3.842 6.459 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.738 4.858 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.480 4.993 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.853 3.582 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.886 5.189 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.967 3.927 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.007 5.567 -0.192 1.00 0.00 H new ATOM 1091 N SER A 70 7.353 5.366 -2.891 1.00 0.00 N ATOM 1092 CA SER A 70 8.385 6.092 -3.622 1.00 0.00 C ATOM 1093 C SER A 70 7.876 6.525 -4.994 1.00 0.00 C ATOM 1094 O SER A 70 7.052 5.846 -5.606 1.00 0.00 O ATOM 1095 CB SER A 70 9.635 5.224 -3.780 1.00 0.00 C ATOM 1096 OG SER A 70 10.769 6.014 -4.091 1.00 0.00 O ATOM 0 H SER A 70 7.471 4.353 -2.890 1.00 0.00 H new ATOM 0 HA SER A 70 8.641 6.984 -3.050 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.816 4.670 -2.859 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.473 4.488 -4.568 1.00 0.00 H new ATOM 0 HG SER A 70 11.555 5.436 -4.185 1.00 0.00 H new ATOM 1102 N PHE A 71 8.373 7.662 -5.470 1.00 0.00 N ATOM 1103 CA PHE A 71 7.969 8.188 -6.769 1.00 0.00 C ATOM 1104 C PHE A 71 9.188 8.524 -7.623 1.00 0.00 C ATOM 1105 O PHE A 71 10.246 8.879 -7.101 1.00 0.00 O ATOM 1106 CB PHE A 71 7.098 9.433 -6.590 1.00 0.00 C ATOM 1107 CG PHE A 71 5.642 9.122 -6.390 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.151 8.823 -5.130 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.765 9.130 -7.463 1.00 0.00 C ATOM 1110 CE1 PHE A 71 3.812 8.536 -4.943 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.425 8.844 -7.282 1.00 0.00 C ATOM 1112 CZ PHE A 71 2.948 8.548 -6.021 1.00 0.00 C ATOM 0 H PHE A 71 9.056 8.237 -4.976 1.00 0.00 H new ATOM 0 HA PHE A 71 7.390 7.419 -7.281 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.461 10.001 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.208 10.073 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.822 8.814 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.133 9.362 -8.452 1.00 0.00 H new ATOM 0 HE1 PHE A 71 3.442 8.303 -3.956 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.752 8.852 -8.126 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.901 8.326 -5.877 1.00 0.00 H new ATOM 1122 N ARG A 72 9.032 8.410 -8.938 1.00 0.00 N ATOM 1123 CA ARG A 72 10.120 8.700 -9.864 1.00 0.00 C ATOM 1124 C ARG A 72 10.179 10.191 -10.183 1.00 0.00 C ATOM 1125 O ARG A 72 11.240 10.811 -10.108 1.00 0.00 O ATOM 1126 CB ARG A 72 9.947 7.898 -11.155 1.00 0.00 C ATOM 1127 CG ARG A 72 10.928 8.285 -12.249 1.00 0.00 C ATOM 1128 CD ARG A 72 12.258 7.567 -12.085 1.00 0.00 C ATOM 1129 NE ARG A 72 13.296 8.134 -12.942 1.00 0.00 N ATOM 1130 CZ ARG A 72 14.368 7.461 -13.341 1.00 0.00 C ATOM 1131 NH1 ARG A 72 14.543 6.202 -12.964 1.00 0.00 N ATOM 1132 NH2 ARG A 72 15.269 8.046 -14.120 1.00 0.00 N ATOM 0 H ARG A 72 8.163 8.119 -9.386 1.00 0.00 H new ATOM 0 HA ARG A 72 11.056 8.410 -9.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.064 6.837 -10.932 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.931 8.036 -11.525 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.502 8.045 -13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.090 9.363 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.576 7.626 -11.044 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.131 6.510 -12.320 1.00 0.00 H new ATOM 0 HE ARG A 72 13.191 9.100 -13.251 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.853 5.748 -12.366 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.368 5.687 -13.272 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.138 9.014 -14.413 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.092 7.527 -14.426 1.00 0.00 H new ATOM 1146 N ASP A 73 9.033 10.760 -10.541 1.00 0.00 N ATOM 1147 CA ASP A 73 8.953 12.178 -10.871 1.00 0.00 C ATOM 1148 C ASP A 73 8.254 12.956 -9.761 1.00 0.00 C ATOM 1149 O ASP A 73 7.319 12.472 -9.124 1.00 0.00 O ATOM 1150 CB ASP A 73 8.212 12.374 -12.194 1.00 0.00 C ATOM 1151 CG ASP A 73 9.129 12.258 -13.395 1.00 0.00 C ATOM 1152 OD1 ASP A 73 9.838 13.241 -13.698 1.00 0.00 O ATOM 1153 OD2 ASP A 73 9.139 11.184 -14.032 1.00 0.00 O ATOM 0 H ASP A 73 8.146 10.261 -10.610 1.00 0.00 H new ATOM 0 HA ASP A 73 9.969 12.560 -10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.417 11.633 -12.275 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.735 13.354 -12.198 1.00 0.00 H new ATOM 1158 N PRO A 74 8.717 14.192 -9.522 1.00 0.00 N ATOM 1159 CA PRO A 74 8.151 15.063 -8.488 1.00 0.00 C ATOM 1160 C PRO A 74 6.751 15.552 -8.845 1.00 0.00 C ATOM 1161 O PRO A 74 5.893 15.691 -7.974 1.00 0.00 O ATOM 1162 CB PRO A 74 9.131 16.239 -8.439 1.00 0.00 C ATOM 1163 CG PRO A 74 9.757 16.266 -9.791 1.00 0.00 C ATOM 1164 CD PRO A 74 9.830 14.834 -10.243 1.00 0.00 C ATOM 0 HA PRO A 74 8.038 14.545 -7.536 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.616 17.175 -8.222 1.00 0.00 H new ATOM 0 HB3 PRO A 74 9.879 16.099 -7.659 1.00 0.00 H new ATOM 0 HG2 PRO A 74 9.164 16.864 -10.483 1.00 0.00 H new ATOM 0 HG3 PRO A 74 10.750 16.714 -9.752 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.713 14.747 -11.323 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.788 14.381 -9.989 1.00 0.00 H new ATOM 1172 N GLU A 75 6.528 15.809 -10.130 1.00 0.00 N ATOM 1173 CA GLU A 75 5.231 16.282 -10.599 1.00 0.00 C ATOM 1174 C GLU A 75 4.109 15.376 -10.102 1.00 0.00 C ATOM 1175 O GLU A 75 3.189 15.828 -9.420 1.00 0.00 O ATOM 1176 CB GLU A 75 5.210 16.346 -12.128 1.00 0.00 C ATOM 1177 CG GLU A 75 6.239 17.299 -12.712 1.00 0.00 C ATOM 1178 CD GLU A 75 7.548 16.611 -13.046 1.00 0.00 C ATOM 1179 OE1 GLU A 75 7.814 15.531 -12.477 1.00 0.00 O ATOM 1180 OE2 GLU A 75 8.307 17.152 -13.878 1.00 0.00 O ATOM 0 H GLU A 75 7.228 15.698 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 75 5.071 17.283 -10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.385 15.347 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.217 16.651 -12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.833 17.757 -13.614 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.427 18.104 -12.002 1.00 0.00 H new ATOM 1187 N GLU A 76 4.192 14.095 -10.448 1.00 0.00 N ATOM 1188 CA GLU A 76 3.183 13.126 -10.037 1.00 0.00 C ATOM 1189 C GLU A 76 3.056 13.084 -8.517 1.00 0.00 C ATOM 1190 O GLU A 76 2.012 13.424 -7.961 1.00 0.00 O ATOM 1191 CB GLU A 76 3.532 11.735 -10.570 1.00 0.00 C ATOM 1192 CG GLU A 76 3.041 11.485 -11.986 1.00 0.00 C ATOM 1193 CD GLU A 76 4.013 11.983 -13.038 1.00 0.00 C ATOM 1194 OE1 GLU A 76 4.762 12.939 -12.749 1.00 0.00 O ATOM 1195 OE2 GLU A 76 4.025 11.415 -14.150 1.00 0.00 O ATOM 0 H GLU A 76 4.947 13.705 -11.012 1.00 0.00 H new ATOM 0 HA GLU A 76 2.226 13.437 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.614 11.605 -10.541 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.103 10.983 -9.908 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.876 10.417 -12.126 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.078 11.977 -12.125 1.00 0.00 H new ATOM 1202 N ALA A 77 4.126 12.662 -7.852 1.00 0.00 N ATOM 1203 CA ALA A 77 4.137 12.576 -6.397 1.00 0.00 C ATOM 1204 C ALA A 77 3.585 13.851 -5.768 1.00 0.00 C ATOM 1205 O ALA A 77 2.557 13.825 -5.090 1.00 0.00 O ATOM 1206 CB ALA A 77 5.547 12.304 -5.894 1.00 0.00 C ATOM 0 H ALA A 77 4.997 12.374 -8.298 1.00 0.00 H new ATOM 0 HA ALA A 77 3.493 11.748 -6.102 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.540 12.242 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.906 11.362 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.207 13.113 -6.207 1.00 0.00 H new ATOM 1212 N ASP A 78 4.274 14.963 -5.995 1.00 0.00 N ATOM 1213 CA ASP A 78 3.853 16.249 -5.450 1.00 0.00 C ATOM 1214 C ASP A 78 2.375 16.500 -5.733 1.00 0.00 C ATOM 1215 O ASP A 78 1.724 17.284 -5.040 1.00 0.00 O ATOM 1216 CB ASP A 78 4.697 17.379 -6.040 1.00 0.00 C ATOM 1217 CG ASP A 78 4.536 18.680 -5.280 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.866 18.709 -4.076 1.00 0.00 O ATOM 1219 OD2 ASP A 78 4.078 19.671 -5.888 1.00 0.00 O ATOM 0 H ASP A 78 5.127 15.001 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 78 3.999 16.224 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.747 17.086 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.415 17.533 -7.082 1.00 0.00 H new ATOM 1224 N TYR A 79 1.851 15.832 -6.754 1.00 0.00 N ATOM 1225 CA TYR A 79 0.451 15.986 -7.131 1.00 0.00 C ATOM 1226 C TYR A 79 -0.400 14.870 -6.532 1.00 0.00 C ATOM 1227 O TYR A 79 -1.615 15.011 -6.385 1.00 0.00 O ATOM 1228 CB TYR A 79 0.308 15.989 -8.654 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.127 16.016 -9.127 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.130 16.562 -8.335 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.481 15.496 -10.366 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.444 16.588 -8.763 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.792 15.519 -10.803 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.769 16.066 -9.998 1.00 0.00 C ATOM 1235 OH TYR A 79 -5.076 16.090 -10.429 1.00 0.00 O ATOM 0 H TYR A 79 2.375 15.178 -7.336 1.00 0.00 H new ATOM 0 HA TYR A 79 0.098 16.939 -6.738 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.831 16.856 -9.058 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.798 15.104 -9.058 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.878 16.973 -7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.718 15.066 -10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.212 17.014 -8.134 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -3.050 15.111 -11.769 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.134 15.685 -11.319 1.00 0.00 H new ATOM 1245 N CYS A 80 0.247 13.763 -6.187 1.00 0.00 N ATOM 1246 CA CYS A 80 -0.450 12.621 -5.603 1.00 0.00 C ATOM 1247 C CYS A 80 -0.651 12.816 -4.104 1.00 0.00 C ATOM 1248 O CYS A 80 -1.600 12.289 -3.522 1.00 0.00 O ATOM 1249 CB CYS A 80 0.333 11.333 -5.862 1.00 0.00 C ATOM 1250 SG CYS A 80 0.656 11.003 -7.610 1.00 0.00 S ATOM 0 H CYS A 80 1.252 13.631 -6.301 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.429 12.543 -6.075 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.284 11.386 -5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.220 10.493 -5.441 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.378 10.420 -8.140 1.00 0.00 H new ATOM 1256 N ILE A 81 0.247 13.574 -3.485 1.00 0.00 N ATOM 1257 CA ILE A 81 0.168 13.838 -2.054 1.00 0.00 C ATOM 1258 C ILE A 81 -1.010 14.749 -1.727 1.00 0.00 C ATOM 1259 O ILE A 81 -1.513 14.750 -0.604 1.00 0.00 O ATOM 1260 CB ILE A 81 1.464 14.483 -1.527 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.503 15.969 -1.890 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.680 13.762 -2.089 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.775 16.852 -0.901 1.00 0.00 C ATOM 0 H ILE A 81 1.038 14.016 -3.952 1.00 0.00 H new ATOM 0 HA ILE A 81 0.026 12.875 -1.563 1.00 0.00 H new ATOM 0 HB ILE A 81 1.483 14.393 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.542 16.291 -1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.064 16.105 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.588 14.229 -1.708 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.655 12.715 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.669 13.824 -3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.844 17.891 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.273 16.556 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.229 16.746 0.084 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.444 15.523 -2.716 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.564 16.439 -2.534 1.00 0.00 C ATOM 1277 C GLN A 82 -3.884 15.764 -2.893 1.00 0.00 C ATOM 1278 O GLN A 82 -4.940 16.122 -2.371 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.370 17.692 -3.388 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.850 17.401 -4.787 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.800 18.639 -5.661 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.776 18.981 -6.329 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.660 19.318 -5.660 1.00 0.00 N ATOM 0 H GLN A 82 -1.037 15.534 -3.651 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.598 16.726 -1.483 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.321 18.220 -3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.674 18.362 -2.883 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.851 16.970 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.487 16.653 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.124 18.998 -5.091 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.567 20.160 -6.228 1.00 0.00 H new ATOM 1292 N THR A 83 -3.817 14.784 -3.789 1.00 0.00 N ATOM 1293 CA THR A 83 -5.006 14.059 -4.220 1.00 0.00 C ATOM 1294 C THR A 83 -5.212 12.798 -3.389 1.00 0.00 C ATOM 1295 O THR A 83 -6.334 12.306 -3.257 1.00 0.00 O ATOM 1296 CB THR A 83 -4.919 13.671 -5.708 1.00 0.00 C ATOM 1297 OG1 THR A 83 -5.129 14.825 -6.529 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.948 12.605 -6.050 1.00 0.00 C ATOM 0 H THR A 83 -2.951 14.474 -4.230 1.00 0.00 H new ATOM 0 HA THR A 83 -5.854 14.729 -4.076 1.00 0.00 H new ATOM 0 HB THR A 83 -3.924 13.268 -5.898 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.336 14.981 -7.083 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.868 12.347 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.767 11.717 -5.445 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.948 12.986 -5.845 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.125 12.280 -2.828 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.188 11.075 -2.008 1.00 0.00 C ATOM 1308 C LEU A 84 -4.389 11.428 -0.538 1.00 0.00 C ATOM 1309 O LEU A 84 -4.594 10.548 0.299 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.909 10.253 -2.176 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.646 9.700 -3.578 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.283 9.028 -3.640 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.742 8.725 -3.981 1.00 0.00 C ATOM 0 H LEU A 84 -3.190 12.675 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.040 10.482 -2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.061 10.874 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.944 9.417 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.650 10.532 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.114 8.641 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.508 9.754 -3.395 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.249 8.207 -2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.538 8.342 -4.981 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.770 7.896 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.704 9.237 -3.978 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.332 12.719 -0.231 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.511 13.188 1.138 1.00 0.00 C ATOM 1327 C ASP A 85 -5.945 12.961 1.607 1.00 0.00 C ATOM 1328 O ASP A 85 -6.264 13.156 2.779 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.157 14.673 1.241 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.353 15.571 0.997 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.127 15.287 0.058 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.515 16.558 1.744 1.00 0.00 O ATOM 0 H ASP A 85 -4.163 13.460 -0.912 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.842 12.617 1.782 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.748 14.878 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.376 14.908 0.518 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.806 12.547 0.682 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.196 12.301 1.020 1.00 0.00 C ATOM 1339 C GLY A 86 -8.628 10.884 0.700 1.00 0.00 C ATOM 1340 O GLY A 86 -9.792 10.527 0.882 1.00 0.00 O ATOM 0 H GLY A 86 -6.566 12.378 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.348 12.493 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.829 13.002 0.476 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.690 10.075 0.220 1.00 0.00 N ATOM 1345 CA ARG A 87 -7.981 8.689 -0.129 1.00 0.00 C ATOM 1346 C ARG A 87 -8.615 7.954 1.048 1.00 0.00 C ATOM 1347 O ARG A 87 -8.549 8.413 2.188 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.702 7.971 -0.564 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.281 8.287 -1.990 1.00 0.00 C ATOM 1350 CD ARG A 87 -6.883 7.302 -2.980 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.298 7.568 -3.226 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.115 6.707 -3.822 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.660 5.530 -4.231 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.390 7.021 -4.010 1.00 0.00 N ATOM 0 H ARG A 87 -6.722 10.355 0.064 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.689 8.690 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.893 8.245 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.849 6.895 -0.467 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.593 9.299 -2.247 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.194 8.260 -2.064 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.336 7.354 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.766 6.288 -2.599 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.680 8.464 -2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.680 5.284 -4.088 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.290 4.871 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.744 7.925 -3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.016 6.359 -4.468 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.229 6.811 0.763 1.00 0.00 N ATOM 1369 CA TRP A 88 -9.875 6.012 1.798 1.00 0.00 C ATOM 1370 C TRP A 88 -9.388 4.568 1.755 1.00 0.00 C ATOM 1371 O TRP A 88 -9.471 3.906 0.720 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.395 6.056 1.630 1.00 0.00 C ATOM 1373 CG TRP A 88 -11.991 7.390 1.963 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -11.944 8.522 1.200 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -12.722 7.731 3.146 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.602 9.546 1.838 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.088 9.087 3.033 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.104 7.023 4.289 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -13.817 9.745 4.020 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -13.826 7.678 5.268 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.177 9.028 5.128 1.00 0.00 C ATOM 0 H TRP A 88 -9.293 6.417 -0.176 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.611 6.436 2.767 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.647 5.800 0.601 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -11.846 5.295 2.267 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.461 8.601 0.237 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.711 10.495 1.479 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -12.839 5.982 4.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.089 10.785 3.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.125 7.141 6.156 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -14.743 9.512 5.910 1.00 0.00 H new ATOM 1392 N PHE A 89 -8.880 4.085 2.884 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.379 2.719 2.974 1.00 0.00 C ATOM 1394 C PHE A 89 -9.064 1.962 4.108 1.00 0.00 C ATOM 1395 O PHE A 89 -9.290 2.509 5.187 1.00 0.00 O ATOM 1396 CB PHE A 89 -6.864 2.722 3.190 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.078 2.880 1.920 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.319 3.946 1.069 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.097 1.962 1.578 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.597 4.093 -0.101 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.372 2.104 0.410 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.622 3.172 -0.430 1.00 0.00 C ATOM 0 H PHE A 89 -8.805 4.620 3.749 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.604 2.213 2.035 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.604 3.531 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.572 1.790 3.675 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.079 4.670 1.322 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.897 1.126 2.232 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.795 4.928 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.611 1.381 0.154 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.056 3.286 -1.343 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.394 0.699 3.854 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.051 -0.113 4.862 1.00 0.00 C ATOM 1414 C GLY A 90 -11.398 0.448 5.271 1.00 0.00 C ATOM 1415 O GLY A 90 -12.033 -0.055 6.197 1.00 0.00 O ATOM 0 H GLY A 90 -9.218 0.224 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.183 -1.125 4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.409 -0.186 5.740 1.00 0.00 H new ATOM 1419 N GLY A 91 -11.835 1.497 4.580 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.112 2.111 4.893 1.00 0.00 C ATOM 1421 C GLY A 91 -12.959 3.505 5.470 1.00 0.00 C ATOM 1422 O GLY A 91 -13.900 4.298 5.451 1.00 0.00 O ATOM 0 H GLY A 91 -11.328 1.932 3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.719 2.160 3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.649 1.483 5.604 1.00 0.00 H new ATOM 1426 N ARG A 92 -11.772 3.803 5.986 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.500 5.109 6.574 1.00 0.00 C ATOM 1428 C ARG A 92 -10.665 5.967 5.629 1.00 0.00 C ATOM 1429 O ARG A 92 -10.110 5.469 4.650 1.00 0.00 O ATOM 1430 CB ARG A 92 -10.774 4.949 7.911 1.00 0.00 C ATOM 1431 CG ARG A 92 -11.486 4.024 8.884 1.00 0.00 C ATOM 1432 CD ARG A 92 -10.640 3.755 10.118 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.862 4.752 11.162 1.00 0.00 N ATOM 1434 CZ ARG A 92 -11.923 4.756 11.961 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -12.855 3.821 11.836 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -12.055 5.698 12.887 1.00 0.00 N ATOM 0 H ARG A 92 -10.983 3.158 6.009 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.454 5.609 6.744 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.771 4.565 7.726 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.660 5.930 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.435 4.469 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.718 3.081 8.388 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.872 2.764 10.508 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.586 3.749 9.841 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.164 5.486 11.284 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.758 3.096 11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.669 3.827 12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.341 6.420 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.870 5.700 13.500 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.581 7.259 5.929 1.00 0.00 N ATOM 1451 CA GLN A 93 -9.815 8.187 5.105 1.00 0.00 C ATOM 1452 C GLN A 93 -8.334 8.142 5.469 1.00 0.00 C ATOM 1453 O GLN A 93 -7.963 7.667 6.543 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.349 9.610 5.270 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.200 10.464 4.022 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.360 11.945 4.305 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.512 12.356 5.456 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.327 12.756 3.254 1.00 0.00 N ATOM 0 H GLN A 93 -11.034 7.687 6.737 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.925 7.884 4.064 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.403 9.564 5.545 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.825 10.092 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.220 10.286 3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.942 10.157 3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.199 12.372 2.318 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.430 13.763 3.383 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.493 8.638 4.568 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.054 8.655 4.795 1.00 0.00 C ATOM 1469 C ILE A 94 -5.432 9.950 4.283 1.00 0.00 C ATOM 1470 O ILE A 94 -5.943 10.573 3.352 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.362 7.462 4.111 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.123 7.763 2.629 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.198 6.201 4.272 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.512 6.607 1.869 1.00 0.00 C ATOM 0 H ILE A 94 -7.784 9.033 3.674 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.904 8.583 5.872 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.396 7.298 4.590 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.071 8.033 2.164 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.468 8.630 2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.695 5.366 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.322 5.979 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.177 6.353 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.371 6.891 0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.548 6.351 2.309 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.176 5.744 1.923 1.00 0.00 H new ATOM 1486 N THR A 95 -4.323 10.351 4.898 1.00 0.00 N ATOM 1487 CA THR A 95 -3.630 11.571 4.505 1.00 0.00 C ATOM 1488 C THR A 95 -2.345 11.255 3.748 1.00 0.00 C ATOM 1489 O THR A 95 -1.784 10.168 3.886 1.00 0.00 O ATOM 1490 CB THR A 95 -3.289 12.443 5.729 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.688 13.671 5.303 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.346 11.709 6.670 1.00 0.00 C ATOM 0 H THR A 95 -3.886 9.848 5.670 1.00 0.00 H new ATOM 0 HA THR A 95 -4.307 12.122 3.852 1.00 0.00 H new ATOM 0 HB THR A 95 -4.214 12.659 6.264 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.476 14.220 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.119 12.344 7.526 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.819 10.790 7.015 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.423 11.467 6.144 1.00 0.00 H new ATOM 1500 N ALA A 96 -1.884 12.211 2.948 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.663 12.034 2.171 1.00 0.00 C ATOM 1502 C ALA A 96 0.260 13.239 2.318 1.00 0.00 C ATOM 1503 O ALA A 96 -0.195 14.352 2.578 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.000 11.800 0.706 1.00 0.00 C ATOM 0 H ALA A 96 -2.337 13.116 2.821 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.139 11.159 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.079 11.669 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.614 10.905 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.548 12.658 0.317 1.00 0.00 H new ATOM 1510 N GLN A 97 1.558 13.008 2.151 1.00 0.00 N ATOM 1511 CA GLN A 97 2.545 14.075 2.267 1.00 0.00 C ATOM 1512 C GLN A 97 3.899 13.625 1.728 1.00 0.00 C ATOM 1513 O GLN A 97 4.139 12.433 1.542 1.00 0.00 O ATOM 1514 CB GLN A 97 2.683 14.514 3.726 1.00 0.00 C ATOM 1515 CG GLN A 97 2.828 13.355 4.699 1.00 0.00 C ATOM 1516 CD GLN A 97 1.496 12.882 5.246 1.00 0.00 C ATOM 1517 OE1 GLN A 97 0.841 11.986 4.518 1.00 0.00 O flip ATOM 1518 NE2 GLN A 97 1.060 13.318 6.312 1.00 0.00 N flip ATOM 0 H GLN A 97 1.951 12.092 1.935 1.00 0.00 H new ATOM 0 HA GLN A 97 2.201 14.921 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.551 15.167 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.809 15.103 4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.326 12.525 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.469 13.658 5.527 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.597 14.006 6.839 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.162 12.991 6.668 1.00 0.00 H new ATOM 1527 N ALA A 98 4.781 14.588 1.479 1.00 0.00 N ATOM 1528 CA ALA A 98 6.111 14.291 0.963 1.00 0.00 C ATOM 1529 C ALA A 98 7.124 14.169 2.096 1.00 0.00 C ATOM 1530 O ALA A 98 7.280 15.085 2.903 1.00 0.00 O ATOM 1531 CB ALA A 98 6.546 15.364 -0.024 1.00 0.00 C ATOM 0 H ALA A 98 4.598 15.581 1.627 1.00 0.00 H new ATOM 0 HA ALA A 98 6.068 13.333 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.541 15.129 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.842 15.401 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.567 16.332 0.477 1.00 0.00 H new ATOM 1537 N TRP A 99 7.810 13.033 2.150 1.00 0.00 N ATOM 1538 CA TRP A 99 8.809 12.792 3.186 1.00 0.00 C ATOM 1539 C TRP A 99 10.104 13.533 2.876 1.00 0.00 C ATOM 1540 O TRP A 99 10.352 13.919 1.733 1.00 0.00 O ATOM 1541 CB TRP A 99 9.084 11.293 3.318 1.00 0.00 C ATOM 1542 CG TRP A 99 10.030 10.959 4.432 1.00 0.00 C ATOM 1543 CD1 TRP A 99 10.002 11.450 5.706 1.00 0.00 C ATOM 1544 CD2 TRP A 99 11.145 10.063 4.369 1.00 0.00 C ATOM 1545 NE1 TRP A 99 11.033 10.912 6.439 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.748 10.058 5.642 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.692 9.262 3.362 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.869 9.285 5.931 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.804 8.496 3.651 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.383 8.511 4.927 1.00 0.00 C ATOM 0 H TRP A 99 7.693 12.265 1.489 1.00 0.00 H new ATOM 0 HA TRP A 99 8.415 13.167 4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 99 8.141 10.771 3.482 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.494 10.922 2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.277 12.157 6.082 1.00 0.00 H new ATOM 0 HE1 TRP A 99 11.233 11.116 7.418 1.00 0.00 H new ATOM 0 HE3 TRP A 99 11.253 9.243 2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 13.317 9.296 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 13.235 7.874 2.880 1.00 0.00 H new ATOM 0 HH2 TRP A 99 14.252 7.900 5.122 1.00 0.00 H new ATOM 1561 N ASP A 100 10.928 13.730 3.900 1.00 0.00 N ATOM 1562 CA ASP A 100 12.199 14.425 3.736 1.00 0.00 C ATOM 1563 C ASP A 100 13.371 13.469 3.940 1.00 0.00 C ATOM 1564 O ASP A 100 14.103 13.159 3.001 1.00 0.00 O ATOM 1565 CB ASP A 100 12.298 15.591 4.721 1.00 0.00 C ATOM 1566 CG ASP A 100 11.465 16.783 4.293 1.00 0.00 C ATOM 1567 OD1 ASP A 100 10.242 16.615 4.105 1.00 0.00 O ATOM 1568 OD2 ASP A 100 12.035 17.883 4.148 1.00 0.00 O ATOM 0 H ASP A 100 10.738 13.418 4.852 1.00 0.00 H new ATOM 0 HA ASP A 100 12.244 14.814 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 100 11.972 15.259 5.707 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.340 15.895 4.816 1.00 0.00 H new ATOM 1573 N GLY A 101 13.543 13.006 5.174 1.00 0.00 N ATOM 1574 CA GLY A 101 14.628 12.092 5.480 1.00 0.00 C ATOM 1575 C GLY A 101 15.079 12.189 6.923 1.00 0.00 C ATOM 1576 O GLY A 101 16.265 12.375 7.200 1.00 0.00 O ATOM 0 H GLY A 101 12.950 13.248 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.309 11.071 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.472 12.303 4.824 1.00 0.00 H new ATOM 1580 N THR A 102 14.132 12.065 7.848 1.00 0.00 N ATOM 1581 CA THR A 102 14.437 12.143 9.271 1.00 0.00 C ATOM 1582 C THR A 102 13.801 10.988 10.034 1.00 0.00 C ATOM 1583 O THR A 102 14.415 10.408 10.931 1.00 0.00 O ATOM 1584 CB THR A 102 13.952 13.473 9.877 1.00 0.00 C ATOM 1585 OG1 THR A 102 14.031 13.417 11.306 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.522 13.772 9.454 1.00 0.00 C ATOM 0 H THR A 102 13.146 11.910 7.636 1.00 0.00 H new ATOM 0 HA THR A 102 15.521 12.083 9.365 1.00 0.00 H new ATOM 0 HB THR A 102 14.596 14.271 9.508 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.722 14.267 11.684 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.202 14.716 9.895 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.471 13.843 8.367 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.866 12.971 9.796 1.00 0.00 H new ATOM 1594 N THR A 103 12.565 10.655 9.673 1.00 0.00 N ATOM 1595 CA THR A 103 11.845 9.568 10.324 1.00 0.00 C ATOM 1596 C THR A 103 12.615 8.257 10.218 1.00 0.00 C ATOM 1597 O THR A 103 13.410 8.065 9.298 1.00 0.00 O ATOM 1598 CB THR A 103 10.444 9.378 9.713 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.610 8.645 10.618 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.528 8.642 8.385 1.00 0.00 C ATOM 0 H THR A 103 12.042 11.123 8.933 1.00 0.00 H new ATOM 0 HA THR A 103 11.742 9.841 11.374 1.00 0.00 H new ATOM 0 HB THR A 103 10.012 10.363 9.538 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.790 8.369 10.157 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.526 8.520 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.139 9.216 7.689 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.979 7.662 8.540 1.00 0.00 H new ATOM 1608 N ASP A 104 12.374 7.357 11.165 1.00 0.00 N ATOM 1609 CA ASP A 104 13.045 6.062 11.177 1.00 0.00 C ATOM 1610 C ASP A 104 12.041 4.929 10.991 1.00 0.00 C ATOM 1611 O ASP A 104 12.284 3.795 11.406 1.00 0.00 O ATOM 1612 CB ASP A 104 13.809 5.872 12.488 1.00 0.00 C ATOM 1613 CG ASP A 104 12.892 5.547 13.651 1.00 0.00 C ATOM 1614 OD1 ASP A 104 12.029 6.387 13.979 1.00 0.00 O ATOM 1615 OD2 ASP A 104 13.039 4.452 14.235 1.00 0.00 O ATOM 0 H ASP A 104 11.719 7.500 11.934 1.00 0.00 H new ATOM 0 HA ASP A 104 13.751 6.038 10.347 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.537 5.070 12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 104 14.369 6.779 12.713 1.00 0.00 H new ATOM 1620 N TYR A 105 10.912 5.242 10.365 1.00 0.00 N ATOM 1621 CA TYR A 105 9.869 4.252 10.127 1.00 0.00 C ATOM 1622 C TYR A 105 10.453 2.984 9.511 1.00 0.00 C ATOM 1623 O TYR A 105 10.333 1.896 10.074 1.00 0.00 O ATOM 1624 CB TYR A 105 8.789 4.827 9.209 1.00 0.00 C ATOM 1625 CG TYR A 105 8.048 6.001 9.808 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.543 5.941 11.101 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.851 7.168 9.081 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.864 7.011 11.653 1.00 0.00 C ATOM 1629 CE2 TYR A 105 7.174 8.243 9.625 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.683 8.159 10.911 1.00 0.00 C ATOM 1631 OH TYR A 105 6.007 9.227 11.456 1.00 0.00 O ATOM 0 H TYR A 105 10.696 6.175 10.013 1.00 0.00 H new ATOM 0 HA TYR A 105 9.421 3.996 11.087 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.249 5.139 8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.073 4.041 8.967 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.683 5.043 11.685 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.233 7.236 8.073 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.478 6.948 12.660 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.030 9.144 9.046 1.00 0.00 H new ATOM 0 HH TYR A 105 5.968 9.957 10.803 1.00 0.00 H new ATOM 1641 N GLN A 106 11.085 3.134 8.351 1.00 0.00 N ATOM 1642 CA GLN A 106 11.688 2.001 7.658 1.00 0.00 C ATOM 1643 C GLN A 106 13.208 2.040 7.772 1.00 0.00 C ATOM 1644 O GLN A 106 13.857 1.003 7.905 1.00 0.00 O ATOM 1645 CB GLN A 106 11.275 1.999 6.185 1.00 0.00 C ATOM 1646 CG GLN A 106 11.932 3.100 5.368 1.00 0.00 C ATOM 1647 CD GLN A 106 13.321 2.723 4.892 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.298 3.413 5.185 1.00 0.00 O ATOM 1649 NE2 GLN A 106 13.417 1.623 4.155 1.00 0.00 N ATOM 0 H GLN A 106 11.193 4.028 7.872 1.00 0.00 H new ATOM 0 HA GLN A 106 11.330 1.086 8.130 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.527 1.033 5.747 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.192 2.106 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.306 3.330 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.992 4.007 5.969 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.581 1.081 3.936 1.00 0.00 H new ATOM 0 HE22 GLN A 106 14.327 1.320 3.808 1.00 0.00 H new ATOM 1658 N SER A 107 13.770 3.243 7.719 1.00 0.00 N ATOM 1659 CA SER A 107 15.215 3.417 7.813 1.00 0.00 C ATOM 1660 C SER A 107 15.788 2.595 8.964 1.00 0.00 C ATOM 1661 O SER A 107 15.109 2.342 9.958 1.00 0.00 O ATOM 1662 CB SER A 107 15.561 4.895 8.005 1.00 0.00 C ATOM 1663 OG SER A 107 16.916 5.149 7.673 1.00 0.00 O ATOM 0 H SER A 107 13.247 4.112 7.611 1.00 0.00 H new ATOM 0 HA SER A 107 15.659 3.065 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.910 5.508 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.377 5.184 9.040 1.00 0.00 H new ATOM 0 HG SER A 107 17.112 6.101 7.802 1.00 0.00 H new ATOM 1669 N GLY A 108 17.043 2.182 8.820 1.00 0.00 N ATOM 1670 CA GLY A 108 17.687 1.393 9.854 1.00 0.00 C ATOM 1671 C GLY A 108 18.541 2.237 10.780 1.00 0.00 C ATOM 1672 O GLY A 108 18.348 3.446 10.907 1.00 0.00 O ATOM 0 H GLY A 108 17.625 2.379 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.926 0.875 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 108 18.308 0.628 9.389 1.00 0.00 H new ATOM 1676 N PRO A 109 19.509 1.593 11.449 1.00 0.00 N ATOM 1677 CA PRO A 109 20.414 2.273 12.381 1.00 0.00 C ATOM 1678 C PRO A 109 21.389 3.203 11.667 1.00 0.00 C ATOM 1679 O PRO A 109 21.457 3.223 10.438 1.00 0.00 O ATOM 1680 CB PRO A 109 21.166 1.120 13.049 1.00 0.00 C ATOM 1681 CG PRO A 109 21.112 0.008 12.060 1.00 0.00 C ATOM 1682 CD PRO A 109 19.796 0.152 11.346 1.00 0.00 C ATOM 0 HA PRO A 109 19.875 2.911 13.081 1.00 0.00 H new ATOM 0 HB2 PRO A 109 22.195 1.398 13.276 1.00 0.00 H new ATOM 0 HB3 PRO A 109 20.697 0.835 13.991 1.00 0.00 H new ATOM 0 HG2 PRO A 109 21.945 0.068 11.359 1.00 0.00 H new ATOM 0 HG3 PRO A 109 21.183 -0.960 12.557 1.00 0.00 H new ATOM 0 HD2 PRO A 109 19.865 -0.171 10.307 1.00 0.00 H new ATOM 0 HD3 PRO A 109 19.016 -0.448 11.815 1.00 0.00 H new ATOM 1690 N SER A 110 22.144 3.972 12.446 1.00 0.00 N ATOM 1691 CA SER A 110 23.114 4.907 11.888 1.00 0.00 C ATOM 1692 C SER A 110 24.317 5.058 12.813 1.00 0.00 C ATOM 1693 O SER A 110 24.202 4.907 14.029 1.00 0.00 O ATOM 1694 CB SER A 110 22.462 6.271 11.653 1.00 0.00 C ATOM 1695 OG SER A 110 23.261 7.079 10.806 1.00 0.00 O ATOM 0 H SER A 110 22.102 3.966 13.465 1.00 0.00 H new ATOM 0 HA SER A 110 23.459 4.508 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 110 21.477 6.135 11.207 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.313 6.776 12.608 1.00 0.00 H new ATOM 0 HG SER A 110 22.822 7.944 10.670 1.00 0.00 H new ATOM 1701 N SER A 111 25.473 5.356 12.227 1.00 0.00 N ATOM 1702 CA SER A 111 26.700 5.523 12.997 1.00 0.00 C ATOM 1703 C SER A 111 27.518 6.696 12.466 1.00 0.00 C ATOM 1704 O SER A 111 27.701 6.844 11.258 1.00 0.00 O ATOM 1705 CB SER A 111 27.534 4.242 12.952 1.00 0.00 C ATOM 1706 OG SER A 111 27.115 3.325 13.948 1.00 0.00 O ATOM 0 H SER A 111 25.585 5.487 11.222 1.00 0.00 H new ATOM 0 HA SER A 111 26.426 5.732 14.031 1.00 0.00 H new ATOM 0 HB2 SER A 111 27.445 3.781 11.968 1.00 0.00 H new ATOM 0 HB3 SER A 111 28.587 4.485 13.096 1.00 0.00 H new ATOM 0 HG SER A 111 27.663 2.514 13.897 1.00 0.00 H new ATOM 1712 N GLY A 112 28.009 7.529 13.378 1.00 0.00 N ATOM 1713 CA GLY A 112 28.803 8.678 12.984 1.00 0.00 C ATOM 1714 C GLY A 112 28.914 9.712 14.086 1.00 0.00 C ATOM 1715 O GLY A 112 29.946 9.813 14.750 1.00 0.00 O ATOM 0 H GLY A 112 27.871 7.429 14.384 1.00 0.00 H new ATOM 0 HA2 GLY A 112 29.802 8.345 12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 112 28.358 9.138 12.102 1.00 0.00 H new TER 1719 GLY A 112