USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 790 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= 0.436 (180deg=0.267) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.9!) USER MOD Single : A 7 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -30:sc= -0.894 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -172:sc= 0 (180deg=-0.0587) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -94:sc= -1.72! USER MOD Single : A 25 HIS : no HE2:sc= -5.06! X(o=-5.1!,f=-4.9) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 16:sc= 0.644! USER MOD Single : A 43 ASN : amide:sc= -2.98! C(o=-3!,f=-2.4!) USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.167 (180deg=-0.327) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.3) USER MOD Single : A 52 THR OG1 : rot -170:sc= -0.723 USER MOD Single : A 53 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.43) USER MOD Single : A 55 THR OG1 : rot 47:sc= -1.77! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.857 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -6.17! K(o=-6.2!,f=-0.65) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -11.3! C(o=-11!,f=-7.5!) USER MOD Single : A 92 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.9!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 170:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.944 24.428 7.265 1.00 0.00 N ATOM 2 CA MET A 1 5.638 23.626 8.437 1.00 0.00 C ATOM 3 C MET A 1 5.282 22.191 8.042 1.00 0.00 C ATOM 4 O MET A 1 5.056 21.905 6.865 1.00 0.00 O ATOM 5 CB MET A 1 4.466 24.254 9.194 1.00 0.00 C ATOM 6 CG MET A 1 4.962 25.252 10.242 1.00 0.00 C ATOM 7 SD MET A 1 5.331 26.817 9.469 1.00 0.00 S ATOM 8 CE MET A 1 5.809 27.766 10.902 1.00 0.00 C ATOM 0 H1 MET A 1 5.816 25.435 7.491 1.00 0.00 H new ATOM 0 H2 MET A 1 6.929 24.260 6.977 1.00 0.00 H new ATOM 0 H3 MET A 1 5.306 24.164 6.487 1.00 0.00 H new ATOM 0 HA MET A 1 6.521 23.598 9.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.803 24.759 8.491 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.881 23.472 9.679 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.204 25.388 11.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.852 24.862 10.735 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.074 28.778 10.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.978 27.805 11.606 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.668 27.295 11.380 1.00 0.00 H new ATOM 18 N SER A 2 5.240 21.328 9.045 1.00 0.00 N ATOM 19 CA SER A 2 4.913 19.930 8.817 1.00 0.00 C ATOM 20 C SER A 2 3.396 19.753 8.741 1.00 0.00 C ATOM 21 O SER A 2 2.646 20.525 9.337 1.00 0.00 O ATOM 22 CB SER A 2 5.497 19.041 9.917 1.00 0.00 C ATOM 23 OG SER A 2 6.104 17.865 9.389 1.00 0.00 O ATOM 0 H SER A 2 5.427 21.569 10.018 1.00 0.00 H new ATOM 0 HA SER A 2 5.356 19.626 7.868 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.236 19.606 10.485 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.707 18.760 10.613 1.00 0.00 H new ATOM 0 HG SER A 2 6.466 17.326 10.123 1.00 0.00 H new ATOM 29 N ARG A 3 2.988 18.730 8.003 1.00 0.00 N ATOM 30 CA ARG A 3 1.573 18.442 7.842 1.00 0.00 C ATOM 31 C ARG A 3 1.048 17.663 9.049 1.00 0.00 C ATOM 32 O ARG A 3 1.830 17.175 9.864 1.00 0.00 O ATOM 33 CB ARG A 3 1.318 17.630 6.570 1.00 0.00 C ATOM 34 CG ARG A 3 1.924 16.230 6.682 1.00 0.00 C ATOM 35 CD ARG A 3 2.350 15.706 5.310 1.00 0.00 C ATOM 36 NE ARG A 3 1.293 14.836 4.748 1.00 0.00 N ATOM 37 CZ ARG A 3 0.990 13.621 5.222 1.00 0.00 C ATOM 38 NH1 ARG A 3 1.662 13.123 6.269 1.00 0.00 N ATOM 39 NH2 ARG A 3 0.014 12.902 4.650 1.00 0.00 N ATOM 0 H ARG A 3 3.612 18.091 7.511 1.00 0.00 H new ATOM 0 HA ARG A 3 1.048 19.394 7.764 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.245 17.553 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 3 1.746 18.148 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 3 2.786 16.255 7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.197 15.550 7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 3 2.541 16.541 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.282 15.148 5.398 1.00 0.00 H new ATOM 0 HE ARG A 3 0.762 15.184 3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.405 13.670 6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.431 12.197 6.630 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -0.498 13.280 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -0.216 11.976 5.011 1.00 0.00 H new ATOM 53 N SER A 4 -0.271 17.568 9.125 1.00 0.00 N ATOM 54 CA SER A 4 -0.909 16.857 10.219 1.00 0.00 C ATOM 55 C SER A 4 -1.358 15.471 9.751 1.00 0.00 C ATOM 56 O SER A 4 -2.261 15.354 8.925 1.00 0.00 O ATOM 57 CB SER A 4 -2.101 17.643 10.768 1.00 0.00 C ATOM 58 OG SER A 4 -2.301 17.408 12.159 1.00 0.00 O ATOM 0 H SER A 4 -0.916 17.972 8.446 1.00 0.00 H new ATOM 0 HA SER A 4 -0.182 16.745 11.023 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.941 18.708 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 4 -3.002 17.365 10.220 1.00 0.00 H new ATOM 0 HG SER A 4 -3.070 17.929 12.472 1.00 0.00 H new ATOM 64 N ASN A 5 -0.706 14.456 10.298 1.00 0.00 N ATOM 65 CA ASN A 5 -1.027 13.083 9.947 1.00 0.00 C ATOM 66 C ASN A 5 -1.525 12.346 11.192 1.00 0.00 C ATOM 67 O ASN A 5 -1.743 12.958 12.236 1.00 0.00 O ATOM 68 CB ASN A 5 0.206 12.345 9.422 1.00 0.00 C ATOM 69 CG ASN A 5 1.256 12.180 10.523 1.00 0.00 C ATOM 70 OD1 ASN A 5 1.732 13.137 11.111 1.00 0.00 O ATOM 71 ND2 ASN A 5 1.591 10.917 10.767 1.00 0.00 N ATOM 0 H ASN A 5 0.044 14.557 10.982 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.792 13.104 9.171 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.086 11.366 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.635 12.896 8.585 1.00 0.00 H new ATOM 0 HD21 ASN A 5 2.285 10.703 11.483 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.154 10.162 10.238 1.00 0.00 H new ATOM 78 N ARG A 6 -1.690 11.039 11.041 1.00 0.00 N ATOM 79 CA ARG A 6 -2.157 10.212 12.140 1.00 0.00 C ATOM 80 C ARG A 6 -0.970 9.674 12.940 1.00 0.00 C ATOM 81 O ARG A 6 0.181 9.996 12.647 1.00 0.00 O ATOM 82 CB ARG A 6 -2.993 9.038 11.627 1.00 0.00 C ATOM 83 CG ARG A 6 -2.100 7.950 11.025 1.00 0.00 C ATOM 84 CD ARG A 6 -2.546 7.601 9.603 1.00 0.00 C ATOM 85 NE ARG A 6 -1.425 6.988 8.858 1.00 0.00 N ATOM 86 CZ ARG A 6 -0.506 7.685 8.174 1.00 0.00 C ATOM 87 NH1 ARG A 6 -0.572 9.024 8.138 1.00 0.00 N ATOM 88 NH2 ARG A 6 0.476 7.044 7.526 1.00 0.00 N ATOM 0 H ARG A 6 -1.508 10.533 10.174 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.780 10.834 12.783 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.580 8.620 12.445 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.699 9.391 10.875 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.064 8.290 11.012 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -2.135 7.058 11.650 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.391 6.913 9.636 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.887 8.500 9.089 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.346 5.971 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.321 9.511 8.631 1.00 0.00 H new ATOM 0 HH12 ARG A 6 0.126 9.555 7.618 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.525 6.026 7.553 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.175 7.574 7.006 1.00 0.00 H new ATOM 102 N GLN A 7 -1.290 8.861 13.937 1.00 0.00 N ATOM 103 CA GLN A 7 -0.264 8.275 14.783 1.00 0.00 C ATOM 104 C GLN A 7 0.083 6.865 14.297 1.00 0.00 C ATOM 105 O GLN A 7 1.095 6.668 13.627 1.00 0.00 O ATOM 106 CB GLN A 7 -0.704 8.256 16.248 1.00 0.00 C ATOM 107 CG GLN A 7 -2.080 8.907 16.414 1.00 0.00 C ATOM 108 CD GLN A 7 -3.198 7.905 16.118 1.00 0.00 C ATOM 109 OE1 GLN A 7 -3.279 6.835 16.699 1.00 0.00 O ATOM 110 NE2 GLN A 7 -4.054 8.310 15.185 1.00 0.00 N ATOM 0 H GLN A 7 -2.245 8.595 14.177 1.00 0.00 H new ATOM 0 HA GLN A 7 0.631 8.893 14.715 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -0.738 7.228 16.608 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.028 8.784 16.859 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -2.187 9.287 17.430 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -2.166 9.762 15.743 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -3.929 9.218 14.738 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -4.836 7.713 14.917 1.00 0.00 H new ATOM 119 N LYS A 8 -0.777 5.923 14.654 1.00 0.00 N ATOM 120 CA LYS A 8 -0.574 4.539 14.263 1.00 0.00 C ATOM 121 C LYS A 8 -1.756 4.076 13.410 1.00 0.00 C ATOM 122 O LYS A 8 -1.728 2.987 12.841 1.00 0.00 O ATOM 123 CB LYS A 8 -0.324 3.666 15.494 1.00 0.00 C ATOM 124 CG LYS A 8 -1.174 4.130 16.678 1.00 0.00 C ATOM 125 CD LYS A 8 -2.647 3.774 16.470 1.00 0.00 C ATOM 126 CE LYS A 8 -3.081 2.658 17.421 1.00 0.00 C ATOM 127 NZ LYS A 8 -4.209 3.108 18.267 1.00 0.00 N ATOM 0 H LYS A 8 -1.616 6.091 15.210 1.00 0.00 H new ATOM 0 HA LYS A 8 0.320 4.444 13.647 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.556 2.627 15.260 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.732 3.704 15.763 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.810 3.666 17.595 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.071 5.208 16.804 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.265 4.657 16.634 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.807 3.460 15.438 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.376 1.779 16.849 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.242 2.362 18.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.492 2.338 18.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.915 3.934 18.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.014 3.369 17.662 1.00 0.00 H new ATOM 141 N GLU A 9 -2.771 4.927 13.349 1.00 0.00 N ATOM 142 CA GLU A 9 -3.961 4.619 12.576 1.00 0.00 C ATOM 143 C GLU A 9 -3.671 4.754 11.079 1.00 0.00 C ATOM 144 O GLU A 9 -2.581 5.170 10.690 1.00 0.00 O ATOM 145 CB GLU A 9 -5.131 5.514 12.990 1.00 0.00 C ATOM 146 CG GLU A 9 -5.134 6.818 12.190 1.00 0.00 C ATOM 147 CD GLU A 9 -6.261 6.822 11.155 1.00 0.00 C ATOM 148 OE1 GLU A 9 -7.424 6.982 11.584 1.00 0.00 O ATOM 149 OE2 GLU A 9 -5.933 6.668 9.958 1.00 0.00 O ATOM 0 H GLU A 9 -2.793 5.830 13.823 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.246 3.587 12.780 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.071 4.985 12.833 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.064 5.737 14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.254 7.664 12.867 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.174 6.944 11.689 1.00 0.00 H new ATOM 156 N TYR A 10 -4.666 4.394 10.281 1.00 0.00 N ATOM 157 CA TYR A 10 -4.532 4.470 8.837 1.00 0.00 C ATOM 158 C TYR A 10 -5.870 4.807 8.178 1.00 0.00 C ATOM 159 O TYR A 10 -6.882 4.164 8.455 1.00 0.00 O ATOM 160 CB TYR A 10 -4.089 3.078 8.381 1.00 0.00 C ATOM 161 CG TYR A 10 -5.180 2.010 8.493 1.00 0.00 C ATOM 162 CD1 TYR A 10 -5.633 1.617 9.736 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.708 1.441 7.352 1.00 0.00 C ATOM 164 CE1 TYR A 10 -6.658 0.612 9.843 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.733 0.437 7.459 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.159 0.071 8.699 1.00 0.00 C ATOM 167 OH TYR A 10 -8.127 -0.878 8.799 1.00 0.00 O ATOM 0 H TYR A 10 -5.568 4.049 10.608 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.821 5.248 8.559 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.756 3.135 7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.229 2.769 8.976 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.219 2.063 10.628 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.352 1.749 6.380 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.021 0.294 10.809 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.155 -0.017 6.575 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.010 -1.378 9.634 1.00 0.00 H new ATOM 177 N LYS A 11 -5.834 5.815 7.319 1.00 0.00 N ATOM 178 CA LYS A 11 -7.032 6.246 6.619 1.00 0.00 C ATOM 179 C LYS A 11 -6.698 6.489 5.146 1.00 0.00 C ATOM 180 O LYS A 11 -5.542 6.377 4.741 1.00 0.00 O ATOM 181 CB LYS A 11 -7.654 7.458 7.316 1.00 0.00 C ATOM 182 CG LYS A 11 -8.612 7.020 8.426 1.00 0.00 C ATOM 183 CD LYS A 11 -10.066 7.296 8.034 1.00 0.00 C ATOM 184 CE LYS A 11 -10.635 6.150 7.195 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.837 6.596 6.456 1.00 0.00 N ATOM 0 H LYS A 11 -4.993 6.346 7.092 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.792 5.465 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.867 8.084 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.190 8.066 6.587 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.481 5.957 8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.373 7.550 9.348 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.670 7.428 8.932 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.124 8.227 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.880 5.796 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.889 5.310 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.211 5.806 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.562 6.912 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.584 7.383 5.825 1.00 0.00 H new ATOM 199 N CYS A 12 -7.731 6.816 4.384 1.00 0.00 N ATOM 200 CA CYS A 12 -7.562 7.076 2.964 1.00 0.00 C ATOM 201 C CYS A 12 -6.311 7.939 2.780 1.00 0.00 C ATOM 202 O CYS A 12 -6.118 8.918 3.498 1.00 0.00 O ATOM 203 CB CYS A 12 -8.803 7.732 2.357 1.00 0.00 C ATOM 204 SG CYS A 12 -8.731 7.636 0.531 1.00 0.00 S ATOM 0 H CYS A 12 -8.689 6.907 4.723 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.434 6.134 2.431 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.702 7.234 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.865 8.773 2.673 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.791 8.194 0.025 1.00 0.00 H new ATOM 210 N GLY A 13 -5.497 7.544 1.812 1.00 0.00 N ATOM 211 CA GLY A 13 -4.271 8.271 1.523 1.00 0.00 C ATOM 212 C GLY A 13 -3.095 7.696 2.317 1.00 0.00 C ATOM 213 O GLY A 13 -1.959 8.145 2.163 1.00 0.00 O ATOM 0 H GLY A 13 -5.662 6.731 1.218 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.055 8.218 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.401 9.325 1.770 1.00 0.00 H new ATOM 217 N ASP A 14 -3.407 6.712 3.148 1.00 0.00 N ATOM 218 CA ASP A 14 -2.390 6.072 3.966 1.00 0.00 C ATOM 219 C ASP A 14 -1.660 5.018 3.131 1.00 0.00 C ATOM 220 O ASP A 14 -2.281 4.309 2.341 1.00 0.00 O ATOM 221 CB ASP A 14 -3.014 5.370 5.173 1.00 0.00 C ATOM 222 CG ASP A 14 -2.021 4.664 6.096 1.00 0.00 C ATOM 223 OD1 ASP A 14 -1.357 3.726 5.602 1.00 0.00 O ATOM 224 OD2 ASP A 14 -1.947 5.075 7.273 1.00 0.00 O ATOM 0 H ASP A 14 -4.349 6.342 3.273 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.703 6.843 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.568 6.106 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.737 4.638 4.814 1.00 0.00 H new ATOM 229 N LEU A 15 -0.353 4.948 3.336 1.00 0.00 N ATOM 230 CA LEU A 15 0.468 3.993 2.612 1.00 0.00 C ATOM 231 C LEU A 15 0.944 2.903 3.576 1.00 0.00 C ATOM 232 O LEU A 15 1.257 3.186 4.731 1.00 0.00 O ATOM 233 CB LEU A 15 1.606 4.707 1.882 1.00 0.00 C ATOM 234 CG LEU A 15 2.679 3.807 1.268 1.00 0.00 C ATOM 235 CD1 LEU A 15 3.624 3.269 2.343 1.00 0.00 C ATOM 236 CD2 LEU A 15 2.047 2.683 0.445 1.00 0.00 C ATOM 0 H LEU A 15 0.158 5.537 3.993 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.117 3.501 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.175 5.318 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.089 5.388 2.582 1.00 0.00 H new ATOM 0 HG LEU A 15 3.279 4.408 0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.377 2.632 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.114 4.102 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.056 2.689 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.832 2.058 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.408 2.077 1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.450 3.113 -0.359 1.00 0.00 H new ATOM 248 N VAL A 16 0.983 1.681 3.065 1.00 0.00 N ATOM 249 CA VAL A 16 1.415 0.549 3.865 1.00 0.00 C ATOM 250 C VAL A 16 1.782 -0.614 2.940 1.00 0.00 C ATOM 251 O VAL A 16 1.640 -0.512 1.722 1.00 0.00 O ATOM 252 CB VAL A 16 0.335 0.185 4.884 1.00 0.00 C ATOM 253 CG1 VAL A 16 0.561 0.915 6.209 1.00 0.00 C ATOM 254 CG2 VAL A 16 -1.062 0.475 4.329 1.00 0.00 C ATOM 0 H VAL A 16 0.722 1.451 2.106 1.00 0.00 H new ATOM 0 HA VAL A 16 2.308 0.804 4.436 1.00 0.00 H new ATOM 0 HB VAL A 16 0.404 -0.886 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.222 0.638 6.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.533 0.637 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.533 1.992 6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.812 0.207 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.147 1.536 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.223 -0.111 3.424 1.00 0.00 H new ATOM 264 N PHE A 17 2.246 -1.692 3.553 1.00 0.00 N ATOM 265 CA PHE A 17 2.634 -2.873 2.801 1.00 0.00 C ATOM 266 C PHE A 17 1.472 -3.862 2.694 1.00 0.00 C ATOM 267 O PHE A 17 1.059 -4.449 3.693 1.00 0.00 O ATOM 268 CB PHE A 17 3.782 -3.535 3.565 1.00 0.00 C ATOM 269 CG PHE A 17 5.161 -2.958 3.238 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.873 -3.450 2.190 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.675 -1.953 3.997 1.00 0.00 C ATOM 272 CE1 PHE A 17 7.153 -2.916 1.887 1.00 0.00 C ATOM 273 CE2 PHE A 17 6.955 -1.418 3.694 1.00 0.00 C ATOM 274 CZ PHE A 17 7.667 -1.911 2.644 1.00 0.00 C ATOM 0 H PHE A 17 2.362 -1.773 4.563 1.00 0.00 H new ATOM 0 HA PHE A 17 2.929 -2.589 1.791 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.600 -3.431 4.635 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.784 -4.602 3.344 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.465 -4.248 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.110 -1.562 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.718 -3.308 1.055 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.363 -0.620 4.297 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.640 -1.504 2.412 1.00 0.00 H new ATOM 284 N ALA A 18 0.975 -4.014 1.475 1.00 0.00 N ATOM 285 CA ALA A 18 -0.132 -4.922 1.225 1.00 0.00 C ATOM 286 C ALA A 18 0.410 -6.242 0.676 1.00 0.00 C ATOM 287 O ALA A 18 1.228 -6.246 -0.243 1.00 0.00 O ATOM 288 CB ALA A 18 -1.130 -4.259 0.274 1.00 0.00 C ATOM 0 H ALA A 18 1.319 -3.523 0.649 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.663 -5.145 2.151 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.961 -4.939 0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.508 -3.341 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.634 -4.023 -0.667 1.00 0.00 H new ATOM 294 N LYS A 19 -0.069 -7.331 1.260 1.00 0.00 N ATOM 295 CA LYS A 19 0.358 -8.654 0.839 1.00 0.00 C ATOM 296 C LYS A 19 -0.790 -9.345 0.100 1.00 0.00 C ATOM 297 O LYS A 19 -1.955 -9.157 0.445 1.00 0.00 O ATOM 298 CB LYS A 19 0.889 -9.451 2.034 1.00 0.00 C ATOM 299 CG LYS A 19 2.053 -10.352 1.618 1.00 0.00 C ATOM 300 CD LYS A 19 3.027 -10.561 2.780 1.00 0.00 C ATOM 301 CE LYS A 19 3.795 -11.873 2.622 1.00 0.00 C ATOM 302 NZ LYS A 19 4.235 -12.379 3.941 1.00 0.00 N ATOM 0 H LYS A 19 -0.748 -7.324 2.021 1.00 0.00 H new ATOM 0 HA LYS A 19 1.190 -8.581 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.216 -8.766 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.088 -10.058 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.670 -11.316 1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.579 -9.906 0.774 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.729 -9.728 2.825 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.479 -10.568 3.722 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.163 -12.615 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.661 -11.719 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.755 -13.271 3.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.856 -11.677 4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.404 -12.545 4.544 1.00 0.00 H new ATOM 316 N MET A 20 -0.419 -10.129 -0.900 1.00 0.00 N ATOM 317 CA MET A 20 -1.403 -10.849 -1.691 1.00 0.00 C ATOM 318 C MET A 20 -1.044 -12.333 -1.797 1.00 0.00 C ATOM 319 O MET A 20 0.126 -12.699 -1.700 1.00 0.00 O ATOM 320 CB MET A 20 -1.478 -10.239 -3.093 1.00 0.00 C ATOM 321 CG MET A 20 -2.735 -10.708 -3.828 1.00 0.00 C ATOM 322 SD MET A 20 -3.593 -9.306 -4.522 1.00 0.00 S ATOM 323 CE MET A 20 -4.978 -10.135 -5.283 1.00 0.00 C ATOM 0 H MET A 20 0.549 -10.282 -1.181 1.00 0.00 H new ATOM 0 HA MET A 20 -2.371 -10.764 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.479 -9.151 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.593 -10.520 -3.664 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.464 -11.407 -4.619 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.391 -11.242 -3.140 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.543 -9.423 -5.884 1.00 0.00 H new ATOM 0 HE2 MET A 20 -4.614 -10.940 -5.921 1.00 0.00 H new ATOM 0 HE3 MET A 20 -5.624 -10.549 -4.509 1.00 0.00 H new ATOM 333 N LYS A 21 -2.071 -13.145 -1.995 1.00 0.00 N ATOM 334 CA LYS A 21 -1.879 -14.580 -2.115 1.00 0.00 C ATOM 335 C LYS A 21 -0.885 -14.864 -3.244 1.00 0.00 C ATOM 336 O LYS A 21 -1.110 -14.472 -4.387 1.00 0.00 O ATOM 337 CB LYS A 21 -3.224 -15.290 -2.286 1.00 0.00 C ATOM 338 CG LYS A 21 -3.067 -16.805 -2.144 1.00 0.00 C ATOM 339 CD LYS A 21 -2.994 -17.481 -3.515 1.00 0.00 C ATOM 340 CE LYS A 21 -3.158 -18.996 -3.387 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.316 -19.615 -4.723 1.00 0.00 N ATOM 0 H LYS A 21 -3.040 -12.836 -2.075 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.447 -14.984 -1.199 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.930 -14.923 -1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.642 -15.054 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.164 -17.029 -1.576 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.907 -17.210 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.773 -17.081 -4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.038 -17.253 -3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.290 -19.421 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.027 -19.223 -2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.426 -20.644 -4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.158 -19.222 -5.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.475 -19.414 -5.300 1.00 0.00 H new ATOM 355 N GLY A 22 0.194 -15.544 -2.883 1.00 0.00 N ATOM 356 CA GLY A 22 1.222 -15.885 -3.852 1.00 0.00 C ATOM 357 C GLY A 22 2.253 -14.760 -3.977 1.00 0.00 C ATOM 358 O GLY A 22 3.367 -14.984 -4.446 1.00 0.00 O ATOM 0 H GLY A 22 0.378 -15.868 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.719 -16.807 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.764 -16.073 -4.823 1.00 0.00 H new ATOM 362 N TYR A 23 1.841 -13.575 -3.549 1.00 0.00 N ATOM 363 CA TYR A 23 2.714 -12.416 -3.607 1.00 0.00 C ATOM 364 C TYR A 23 3.125 -11.967 -2.202 1.00 0.00 C ATOM 365 O TYR A 23 2.290 -11.884 -1.303 1.00 0.00 O ATOM 366 CB TYR A 23 1.895 -11.303 -4.263 1.00 0.00 C ATOM 367 CG TYR A 23 2.724 -10.339 -5.113 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.731 -10.823 -5.924 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.467 -8.983 -5.069 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.511 -9.915 -6.724 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.246 -8.075 -5.868 1.00 0.00 C ATOM 372 CZ TYR A 23 4.231 -8.585 -6.656 1.00 0.00 C ATOM 373 OH TYR A 23 4.968 -7.728 -7.412 1.00 0.00 O ATOM 0 H TYR A 23 0.915 -13.394 -3.161 1.00 0.00 H new ATOM 0 HA TYR A 23 3.623 -12.649 -4.161 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.125 -11.753 -4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.382 -10.737 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.934 -11.883 -5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.680 -8.604 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.300 -10.281 -7.364 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.053 -7.013 -5.843 1.00 0.00 H new ATOM 0 HH TYR A 23 5.710 -7.376 -6.878 1.00 0.00 H new ATOM 383 N PRO A 24 4.447 -11.685 -2.053 1.00 0.00 N ATOM 384 CA PRO A 24 4.980 -11.249 -0.774 1.00 0.00 C ATOM 385 C PRO A 24 4.601 -9.793 -0.490 1.00 0.00 C ATOM 386 O PRO A 24 4.098 -9.097 -1.370 1.00 0.00 O ATOM 387 CB PRO A 24 6.482 -11.461 -0.879 1.00 0.00 C ATOM 388 CG PRO A 24 6.785 -11.570 -2.365 1.00 0.00 C ATOM 389 CD PRO A 24 5.466 -11.774 -3.095 1.00 0.00 C ATOM 0 HA PRO A 24 4.570 -11.811 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.026 -10.630 -0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.787 -12.365 -0.351 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.283 -10.668 -2.720 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.461 -12.403 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.316 -11.014 -3.861 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.436 -12.742 -3.596 1.00 0.00 H new ATOM 397 N HIS A 25 4.858 -9.378 0.741 1.00 0.00 N ATOM 398 CA HIS A 25 4.549 -8.018 1.151 1.00 0.00 C ATOM 399 C HIS A 25 4.999 -7.040 0.066 1.00 0.00 C ATOM 400 O HIS A 25 6.190 -6.929 -0.221 1.00 0.00 O ATOM 401 CB HIS A 25 5.165 -7.711 2.519 1.00 0.00 C ATOM 402 CG HIS A 25 4.150 -7.386 3.590 1.00 0.00 C ATOM 403 ND1 HIS A 25 4.342 -7.701 4.924 1.00 0.00 N ATOM 404 CD2 HIS A 25 2.936 -6.772 3.511 1.00 0.00 C ATOM 405 CE1 HIS A 25 3.284 -7.292 5.607 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.413 -6.716 4.729 1.00 0.00 N ATOM 0 H HIS A 25 5.276 -9.958 1.468 1.00 0.00 H new ATOM 0 HA HIS A 25 3.471 -7.905 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.756 -8.569 2.841 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.852 -6.871 2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.160 -8.169 5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.477 -6.395 2.609 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.136 -7.396 6.672 1.00 0.00 H new ATOM 414 N TRP A 26 4.023 -6.354 -0.510 1.00 0.00 N ATOM 415 CA TRP A 26 4.302 -5.388 -1.559 1.00 0.00 C ATOM 416 C TRP A 26 3.798 -4.023 -1.091 1.00 0.00 C ATOM 417 O TRP A 26 2.784 -3.935 -0.401 1.00 0.00 O ATOM 418 CB TRP A 26 3.690 -5.831 -2.888 1.00 0.00 C ATOM 419 CG TRP A 26 4.656 -5.765 -4.073 1.00 0.00 C ATOM 420 CD1 TRP A 26 4.881 -4.732 -4.900 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.528 -6.820 -4.532 1.00 0.00 C ATOM 422 NE1 TRP A 26 5.826 -5.045 -5.854 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.233 -6.356 -5.622 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.712 -8.124 -4.042 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.171 -7.129 -6.316 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.654 -8.886 -4.744 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.372 -8.433 -5.844 1.00 0.00 C ATOM 0 H TRP A 26 3.036 -6.448 -0.270 1.00 0.00 H new ATOM 0 HA TRP A 26 5.374 -5.316 -1.744 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.327 -6.854 -2.786 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.824 -5.205 -3.104 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.384 -3.776 -4.827 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.165 -4.429 -6.594 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.170 -8.508 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.710 -6.742 -7.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.835 -9.896 -4.407 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.082 -9.083 -6.333 1.00 0.00 H new ATOM 438 N PRO A 27 4.548 -2.963 -1.495 1.00 0.00 N ATOM 439 CA PRO A 27 4.187 -1.605 -1.125 1.00 0.00 C ATOM 440 C PRO A 27 2.990 -1.114 -1.943 1.00 0.00 C ATOM 441 O PRO A 27 3.114 -0.857 -3.139 1.00 0.00 O ATOM 442 CB PRO A 27 5.444 -0.785 -1.362 1.00 0.00 C ATOM 443 CG PRO A 27 6.316 -1.616 -2.289 1.00 0.00 C ATOM 444 CD PRO A 27 5.756 -3.029 -2.313 1.00 0.00 C ATOM 0 HA PRO A 27 3.864 -1.524 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.203 0.178 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.958 -0.578 -0.423 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.321 -1.190 -3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.349 -1.620 -1.940 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.528 -3.348 -3.330 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.471 -3.745 -1.907 1.00 0.00 H new ATOM 452 N ALA A 28 1.858 -0.998 -1.264 1.00 0.00 N ATOM 453 CA ALA A 28 0.640 -0.543 -1.913 1.00 0.00 C ATOM 454 C ALA A 28 0.018 0.584 -1.086 1.00 0.00 C ATOM 455 O ALA A 28 0.349 0.754 0.086 1.00 0.00 O ATOM 456 CB ALA A 28 -0.314 -1.725 -2.097 1.00 0.00 C ATOM 0 H ALA A 28 1.759 -1.211 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 28 0.859 -0.144 -2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.227 -1.383 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.164 -2.485 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.559 -2.150 -1.124 1.00 0.00 H new ATOM 462 N ARG A 29 -0.872 1.325 -1.729 1.00 0.00 N ATOM 463 CA ARG A 29 -1.543 2.431 -1.068 1.00 0.00 C ATOM 464 C ARG A 29 -2.977 2.041 -0.705 1.00 0.00 C ATOM 465 O ARG A 29 -3.555 1.145 -1.318 1.00 0.00 O ATOM 466 CB ARG A 29 -1.570 3.672 -1.962 1.00 0.00 C ATOM 467 CG ARG A 29 -2.120 3.336 -3.350 1.00 0.00 C ATOM 468 CD ARG A 29 -2.377 4.609 -4.159 1.00 0.00 C ATOM 469 NE ARG A 29 -3.725 5.138 -3.855 1.00 0.00 N ATOM 470 CZ ARG A 29 -4.192 6.310 -4.307 1.00 0.00 C ATOM 471 NH1 ARG A 29 -3.424 7.082 -5.088 1.00 0.00 N ATOM 472 NH2 ARG A 29 -5.429 6.710 -3.980 1.00 0.00 N ATOM 0 H ARG A 29 -1.144 1.181 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.985 2.663 -0.161 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.185 4.444 -1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.563 4.080 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.413 2.699 -3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.046 2.770 -3.251 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.621 5.358 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.293 4.396 -5.225 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.337 4.575 -3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.483 6.778 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.780 7.974 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.015 6.122 -3.387 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.784 7.602 -4.324 1.00 0.00 H new ATOM 486 N ILE A 30 -3.511 2.733 0.290 1.00 0.00 N ATOM 487 CA ILE A 30 -4.867 2.471 0.742 1.00 0.00 C ATOM 488 C ILE A 30 -5.854 3.207 -0.166 1.00 0.00 C ATOM 489 O ILE A 30 -5.535 4.266 -0.707 1.00 0.00 O ATOM 490 CB ILE A 30 -5.015 2.822 2.225 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.795 1.737 2.969 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.646 4.205 2.400 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.303 1.977 2.866 1.00 0.00 C ATOM 0 H ILE A 30 -3.029 3.476 0.797 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.095 1.408 0.666 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.020 2.864 2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.550 0.759 2.555 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.496 1.723 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.740 4.430 3.462 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.015 4.956 1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.633 4.216 1.938 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.834 1.191 3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.548 2.945 3.303 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.602 1.966 1.818 1.00 0.00 H new ATOM 505 N ASP A 31 -7.033 2.619 -0.304 1.00 0.00 N ATOM 506 CA ASP A 31 -8.069 3.206 -1.137 1.00 0.00 C ATOM 507 C ASP A 31 -9.437 2.693 -0.681 1.00 0.00 C ATOM 508 O ASP A 31 -9.545 1.580 -0.167 1.00 0.00 O ATOM 509 CB ASP A 31 -7.883 2.816 -2.605 1.00 0.00 C ATOM 510 CG ASP A 31 -6.996 3.760 -3.418 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.759 3.648 -3.268 1.00 0.00 O ATOM 512 OD2 ASP A 31 -7.573 4.574 -4.171 1.00 0.00 O ATOM 0 H ASP A 31 -7.294 1.742 0.147 1.00 0.00 H new ATOM 0 HA ASP A 31 -8.004 4.290 -1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.456 1.814 -2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.863 2.765 -3.079 1.00 0.00 H new ATOM 517 N GLU A 32 -10.445 3.527 -0.885 1.00 0.00 N ATOM 518 CA GLU A 32 -11.800 3.171 -0.501 1.00 0.00 C ATOM 519 C GLU A 32 -12.583 2.672 -1.717 1.00 0.00 C ATOM 520 O GLU A 32 -12.289 3.055 -2.849 1.00 0.00 O ATOM 521 CB GLU A 32 -12.511 4.355 0.160 1.00 0.00 C ATOM 522 CG GLU A 32 -12.074 4.511 1.617 1.00 0.00 C ATOM 523 CD GLU A 32 -12.980 5.497 2.358 1.00 0.00 C ATOM 524 OE1 GLU A 32 -12.748 6.715 2.194 1.00 0.00 O ATOM 525 OE2 GLU A 32 -13.883 5.012 3.074 1.00 0.00 O ATOM 0 H GLU A 32 -10.351 4.449 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.749 2.364 0.230 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.290 5.270 -0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.590 4.208 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.102 3.542 2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.042 4.860 1.656 1.00 0.00 H new ATOM 532 N MET A 33 -13.563 1.825 -1.443 1.00 0.00 N ATOM 533 CA MET A 33 -14.389 1.268 -2.500 1.00 0.00 C ATOM 534 C MET A 33 -15.381 2.309 -3.026 1.00 0.00 C ATOM 535 O MET A 33 -16.279 2.738 -2.303 1.00 0.00 O ATOM 536 CB MET A 33 -15.157 0.058 -1.966 1.00 0.00 C ATOM 537 CG MET A 33 -15.856 0.390 -0.645 1.00 0.00 C ATOM 538 SD MET A 33 -17.570 -0.104 -0.719 1.00 0.00 S ATOM 539 CE MET A 33 -18.165 0.612 0.805 1.00 0.00 C ATOM 0 H MET A 33 -13.804 1.510 -0.503 1.00 0.00 H new ATOM 0 HA MET A 33 -13.739 0.964 -3.320 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.895 -0.262 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.471 -0.776 -1.819 1.00 0.00 H new ATOM 0 HG2 MET A 33 -15.357 -0.121 0.178 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.786 1.459 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 33 -19.228 0.397 0.918 1.00 0.00 H new ATOM 0 HE2 MET A 33 -17.617 0.186 1.645 1.00 0.00 H new ATOM 0 HE3 MET A 33 -18.014 1.691 0.783 1.00 0.00 H new ATOM 549 N PRO A 34 -15.179 2.694 -4.314 1.00 0.00 N ATOM 550 CA PRO A 34 -16.044 3.677 -4.946 1.00 0.00 C ATOM 551 C PRO A 34 -17.399 3.064 -5.304 1.00 0.00 C ATOM 552 O PRO A 34 -17.605 1.863 -5.135 1.00 0.00 O ATOM 553 CB PRO A 34 -15.270 4.159 -6.161 1.00 0.00 C ATOM 554 CG PRO A 34 -14.211 3.103 -6.427 1.00 0.00 C ATOM 555 CD PRO A 34 -14.127 2.207 -5.201 1.00 0.00 C ATOM 0 HA PRO A 34 -16.284 4.512 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -15.928 4.277 -7.022 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.814 5.131 -5.973 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -14.468 2.518 -7.310 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -13.247 3.571 -6.625 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -14.283 1.161 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.147 2.274 -4.728 1.00 0.00 H new ATOM 563 N GLU A 35 -18.288 3.916 -5.793 1.00 0.00 N ATOM 564 CA GLU A 35 -19.618 3.474 -6.177 1.00 0.00 C ATOM 565 C GLU A 35 -20.101 4.249 -7.405 1.00 0.00 C ATOM 566 O GLU A 35 -21.297 4.490 -7.559 1.00 0.00 O ATOM 567 CB GLU A 35 -20.601 3.619 -5.015 1.00 0.00 C ATOM 568 CG GLU A 35 -20.415 4.962 -4.303 1.00 0.00 C ATOM 569 CD GLU A 35 -21.379 5.094 -3.122 1.00 0.00 C ATOM 570 OE1 GLU A 35 -22.601 5.108 -3.387 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.873 5.180 -1.983 1.00 0.00 O ATOM 0 H GLU A 35 -18.113 4.911 -5.932 1.00 0.00 H new ATOM 0 HA GLU A 35 -19.567 2.416 -6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -21.623 3.539 -5.386 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -20.454 2.804 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -19.388 5.052 -3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -20.583 5.777 -5.007 1.00 0.00 H new ATOM 578 N ALA A 36 -19.146 4.617 -8.246 1.00 0.00 N ATOM 579 CA ALA A 36 -19.459 5.359 -9.455 1.00 0.00 C ATOM 580 C ALA A 36 -19.446 4.407 -10.652 1.00 0.00 C ATOM 581 O ALA A 36 -20.494 4.087 -11.209 1.00 0.00 O ATOM 582 CB ALA A 36 -18.468 6.514 -9.617 1.00 0.00 C ATOM 0 H ALA A 36 -18.155 4.415 -8.114 1.00 0.00 H new ATOM 0 HA ALA A 36 -20.457 5.793 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -18.703 7.071 -10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -18.539 7.178 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.455 6.117 -9.687 1.00 0.00 H new ATOM 588 N ALA A 37 -18.243 3.980 -11.014 1.00 0.00 N ATOM 589 CA ALA A 37 -18.078 3.069 -12.134 1.00 0.00 C ATOM 590 C ALA A 37 -18.957 1.835 -11.916 1.00 0.00 C ATOM 591 O ALA A 37 -19.713 1.444 -12.804 1.00 0.00 O ATOM 592 CB ALA A 37 -16.599 2.712 -12.287 1.00 0.00 C ATOM 0 H ALA A 37 -17.375 4.249 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.397 3.541 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -16.475 2.029 -13.127 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -16.023 3.619 -12.469 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.244 2.233 -11.374 1.00 0.00 H new ATOM 598 N VAL A 38 -18.828 1.257 -10.732 1.00 0.00 N ATOM 599 CA VAL A 38 -19.600 0.076 -10.387 1.00 0.00 C ATOM 600 C VAL A 38 -20.001 0.146 -8.913 1.00 0.00 C ATOM 601 O VAL A 38 -19.525 1.009 -8.177 1.00 0.00 O ATOM 602 CB VAL A 38 -18.807 -1.187 -10.733 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.489 -1.233 -9.959 1.00 0.00 C ATOM 604 CG2 VAL A 38 -19.641 -2.444 -10.474 1.00 0.00 C ATOM 0 H VAL A 38 -18.200 1.585 -9.998 1.00 0.00 H new ATOM 0 HA VAL A 38 -20.519 0.036 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.570 -1.156 -11.796 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -16.944 -2.140 -10.222 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -16.887 -0.361 -10.214 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -17.695 -1.231 -8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -19.055 -3.328 -10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -19.921 -2.484 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -20.541 -2.417 -11.088 1.00 0.00 H new ATOM 614 N LYS A 39 -20.872 -0.774 -8.524 1.00 0.00 N ATOM 615 CA LYS A 39 -21.342 -0.827 -7.151 1.00 0.00 C ATOM 616 C LYS A 39 -20.746 -2.056 -6.460 1.00 0.00 C ATOM 617 O LYS A 39 -21.273 -3.159 -6.587 1.00 0.00 O ATOM 618 CB LYS A 39 -22.870 -0.777 -7.105 1.00 0.00 C ATOM 619 CG LYS A 39 -23.400 0.472 -7.813 1.00 0.00 C ATOM 620 CD LYS A 39 -24.287 0.094 -9.002 1.00 0.00 C ATOM 621 CE LYS A 39 -23.881 0.867 -10.256 1.00 0.00 C ATOM 622 NZ LYS A 39 -24.919 0.738 -11.303 1.00 0.00 N ATOM 0 H LYS A 39 -21.264 -1.489 -9.137 1.00 0.00 H new ATOM 0 HA LYS A 39 -21.001 0.048 -6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -23.281 -1.669 -7.578 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.206 -0.782 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -23.969 1.080 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.564 1.081 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.212 -0.977 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -25.330 0.303 -8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -23.733 1.919 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.929 0.490 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -24.627 1.269 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -25.041 -0.265 -11.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -25.819 1.119 -10.948 1.00 0.00 H new ATOM 636 N SER A 40 -19.656 -1.822 -5.745 1.00 0.00 N ATOM 637 CA SER A 40 -18.984 -2.895 -5.034 1.00 0.00 C ATOM 638 C SER A 40 -19.831 -3.346 -3.842 1.00 0.00 C ATOM 639 O SER A 40 -20.944 -2.860 -3.649 1.00 0.00 O ATOM 640 CB SER A 40 -17.595 -2.458 -4.562 1.00 0.00 C ATOM 641 OG SER A 40 -16.561 -2.966 -5.401 1.00 0.00 O ATOM 0 H SER A 40 -19.222 -0.905 -5.643 1.00 0.00 H new ATOM 0 HA SER A 40 -18.859 -3.733 -5.720 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.544 -1.369 -4.543 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.435 -2.802 -3.540 1.00 0.00 H new ATOM 0 HG SER A 40 -15.691 -2.663 -5.067 1.00 0.00 H new ATOM 647 N THR A 41 -19.271 -4.269 -3.074 1.00 0.00 N ATOM 648 CA THR A 41 -19.962 -4.791 -1.907 1.00 0.00 C ATOM 649 C THR A 41 -19.148 -4.520 -0.640 1.00 0.00 C ATOM 650 O THR A 41 -17.984 -4.910 -0.550 1.00 0.00 O ATOM 651 CB THR A 41 -20.238 -6.277 -2.146 1.00 0.00 C ATOM 652 OG1 THR A 41 -18.951 -6.885 -2.071 1.00 0.00 O ATOM 653 CG2 THR A 41 -20.704 -6.563 -3.574 1.00 0.00 C ATOM 0 H THR A 41 -18.347 -4.669 -3.237 1.00 0.00 H new ATOM 0 HA THR A 41 -20.917 -4.289 -1.755 1.00 0.00 H new ATOM 0 HB THR A 41 -20.994 -6.624 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 41 -18.318 -6.262 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 41 -20.886 -7.631 -3.690 1.00 0.00 H new ATOM 0 HG22 THR A 41 -21.625 -6.014 -3.773 1.00 0.00 H new ATOM 0 HG23 THR A 41 -19.934 -6.247 -4.278 1.00 0.00 H new ATOM 661 N ALA A 42 -19.791 -3.854 0.306 1.00 0.00 N ATOM 662 CA ALA A 42 -19.140 -3.525 1.564 1.00 0.00 C ATOM 663 C ALA A 42 -18.477 -4.781 2.133 1.00 0.00 C ATOM 664 O ALA A 42 -18.622 -5.869 1.579 1.00 0.00 O ATOM 665 CB ALA A 42 -20.165 -2.920 2.526 1.00 0.00 C ATOM 0 H ALA A 42 -20.756 -3.533 0.228 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.359 -2.781 1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -19.677 -2.673 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.586 -2.015 2.087 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.963 -3.640 2.708 1.00 0.00 H new ATOM 671 N ASN A 43 -17.764 -4.588 3.234 1.00 0.00 N ATOM 672 CA ASN A 43 -17.078 -5.691 3.883 1.00 0.00 C ATOM 673 C ASN A 43 -15.764 -5.973 3.149 1.00 0.00 C ATOM 674 O ASN A 43 -15.372 -7.128 2.992 1.00 0.00 O ATOM 675 CB ASN A 43 -17.924 -6.966 3.845 1.00 0.00 C ATOM 676 CG ASN A 43 -19.400 -6.651 4.095 1.00 0.00 C ATOM 677 OD1 ASN A 43 -19.776 -6.080 5.106 1.00 0.00 O ATOM 678 ND2 ASN A 43 -20.212 -7.055 3.123 1.00 0.00 N ATOM 0 H ASN A 43 -17.647 -3.684 3.692 1.00 0.00 H new ATOM 0 HA ASN A 43 -16.896 -5.410 4.920 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.811 -7.453 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -17.565 -7.668 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -21.216 -6.893 3.197 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.831 -7.527 2.303 1.00 0.00 H new ATOM 685 N LYS A 44 -15.122 -4.898 2.719 1.00 0.00 N ATOM 686 CA LYS A 44 -13.861 -5.015 2.006 1.00 0.00 C ATOM 687 C LYS A 44 -13.268 -3.620 1.795 1.00 0.00 C ATOM 688 O LYS A 44 -13.981 -2.620 1.869 1.00 0.00 O ATOM 689 CB LYS A 44 -14.051 -5.805 0.710 1.00 0.00 C ATOM 690 CG LYS A 44 -14.837 -4.991 -0.319 1.00 0.00 C ATOM 691 CD LYS A 44 -14.065 -4.879 -1.635 1.00 0.00 C ATOM 692 CE LYS A 44 -13.104 -3.688 -1.607 1.00 0.00 C ATOM 693 NZ LYS A 44 -13.284 -2.849 -2.813 1.00 0.00 N ATOM 0 H LYS A 44 -15.451 -3.941 2.850 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.140 -5.582 2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.078 -6.075 0.299 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.577 -6.736 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.803 -5.462 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -15.036 -3.995 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.506 -5.798 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.765 -4.767 -2.463 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.281 -3.091 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.075 -4.044 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.739 -1.970 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.948 -3.367 -3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.292 -2.620 -2.929 1.00 0.00 H new ATOM 707 N TYR A 45 -11.969 -3.598 1.537 1.00 0.00 N ATOM 708 CA TYR A 45 -11.272 -2.343 1.314 1.00 0.00 C ATOM 709 C TYR A 45 -10.516 -2.364 -0.016 1.00 0.00 C ATOM 710 O TYR A 45 -10.108 -3.425 -0.487 1.00 0.00 O ATOM 711 CB TYR A 45 -10.265 -2.211 2.458 1.00 0.00 C ATOM 712 CG TYR A 45 -10.481 -0.980 3.340 1.00 0.00 C ATOM 713 CD1 TYR A 45 -11.759 -0.505 3.558 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.401 -0.346 3.918 1.00 0.00 C ATOM 715 CE1 TYR A 45 -11.963 0.654 4.388 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.606 0.812 4.749 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.877 1.254 4.943 1.00 0.00 C ATOM 718 OH TYR A 45 -11.070 2.348 5.728 1.00 0.00 O ATOM 0 H TYR A 45 -11.381 -4.429 1.477 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.978 -1.513 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.319 -3.104 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.259 -2.173 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -12.605 -1.002 3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.402 -0.718 3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -12.957 1.038 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.769 1.318 5.208 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.205 2.671 6.057 1.00 0.00 H new ATOM 728 N GLN A 46 -10.351 -1.179 -0.585 1.00 0.00 N ATOM 729 CA GLN A 46 -9.652 -1.048 -1.852 1.00 0.00 C ATOM 730 C GLN A 46 -8.163 -0.784 -1.611 1.00 0.00 C ATOM 731 O GLN A 46 -7.804 0.111 -0.849 1.00 0.00 O ATOM 732 CB GLN A 46 -10.272 0.057 -2.709 1.00 0.00 C ATOM 733 CG GLN A 46 -9.528 0.202 -4.040 1.00 0.00 C ATOM 734 CD GLN A 46 -10.345 1.026 -5.037 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.427 0.648 -5.454 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.766 2.168 -5.396 1.00 0.00 N ATOM 0 H GLN A 46 -10.689 -0.301 -0.192 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.752 -1.986 -2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.321 -0.170 -2.898 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.243 1.002 -2.167 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.563 0.681 -3.871 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.326 -0.784 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.858 2.424 -5.008 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.230 2.788 -6.060 1.00 0.00 H new ATOM 745 N VAL A 47 -7.339 -1.580 -2.276 1.00 0.00 N ATOM 746 CA VAL A 47 -5.898 -1.445 -2.145 1.00 0.00 C ATOM 747 C VAL A 47 -5.274 -1.291 -3.534 1.00 0.00 C ATOM 748 O VAL A 47 -5.630 -2.018 -4.461 1.00 0.00 O ATOM 749 CB VAL A 47 -5.330 -2.631 -1.362 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.969 -3.054 -1.921 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.235 -2.308 0.130 1.00 0.00 C ATOM 0 H VAL A 47 -7.642 -2.321 -2.908 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.649 -0.549 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.016 -3.470 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.587 -3.898 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.079 -3.345 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.271 -2.220 -1.848 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.828 -3.167 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.581 -1.448 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.228 -2.078 0.516 1.00 0.00 H new ATOM 761 N PHE A 48 -4.358 -0.341 -3.633 1.00 0.00 N ATOM 762 CA PHE A 48 -3.683 -0.082 -4.894 1.00 0.00 C ATOM 763 C PHE A 48 -2.202 -0.460 -4.810 1.00 0.00 C ATOM 764 O PHE A 48 -1.411 0.251 -4.194 1.00 0.00 O ATOM 765 CB PHE A 48 -3.798 1.419 -5.165 1.00 0.00 C ATOM 766 CG PHE A 48 -4.399 1.762 -6.528 1.00 0.00 C ATOM 767 CD1 PHE A 48 -4.190 0.938 -7.590 1.00 0.00 C ATOM 768 CD2 PHE A 48 -5.142 2.891 -6.680 1.00 0.00 C ATOM 769 CE1 PHE A 48 -4.747 1.256 -8.857 1.00 0.00 C ATOM 770 CE2 PHE A 48 -5.700 3.208 -7.947 1.00 0.00 C ATOM 771 CZ PHE A 48 -5.491 2.385 -9.009 1.00 0.00 C ATOM 0 H PHE A 48 -4.067 0.259 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.139 -0.674 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.410 1.872 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.807 1.867 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.600 0.041 -7.470 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.308 3.546 -5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.580 0.602 -9.700 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.291 4.104 -8.067 1.00 0.00 H new ATOM 0 HZ PHE A 48 -5.915 2.627 -9.972 1.00 0.00 H new ATOM 781 N PHE A 49 -1.873 -1.579 -5.441 1.00 0.00 N ATOM 782 CA PHE A 49 -0.503 -2.060 -5.446 1.00 0.00 C ATOM 783 C PHE A 49 0.361 -1.245 -6.412 1.00 0.00 C ATOM 784 O PHE A 49 0.096 -1.215 -7.611 1.00 0.00 O ATOM 785 CB PHE A 49 -0.542 -3.515 -5.919 1.00 0.00 C ATOM 786 CG PHE A 49 -0.553 -4.538 -4.781 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.638 -4.641 -3.970 1.00 0.00 C ATOM 788 CD2 PHE A 49 0.523 -5.346 -4.584 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.649 -5.591 -2.914 1.00 0.00 C ATOM 790 CE2 PHE A 49 0.514 -6.296 -3.528 1.00 0.00 C ATOM 791 CZ PHE A 49 -0.572 -6.398 -2.716 1.00 0.00 C ATOM 0 H PHE A 49 -2.533 -2.166 -5.952 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.072 -1.967 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.429 -3.663 -6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.323 -3.703 -6.555 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.493 -4.000 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.384 -5.265 -5.230 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.511 -5.672 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.369 -6.937 -3.370 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.579 -7.120 -1.913 1.00 0.00 H new ATOM 801 N PHE A 50 1.376 -0.604 -5.849 1.00 0.00 N ATOM 802 CA PHE A 50 2.279 0.208 -6.644 1.00 0.00 C ATOM 803 C PHE A 50 3.175 -0.666 -7.523 1.00 0.00 C ATOM 804 O PHE A 50 3.520 -0.284 -8.639 1.00 0.00 O ATOM 805 CB PHE A 50 3.155 0.993 -5.665 1.00 0.00 C ATOM 806 CG PHE A 50 2.440 2.167 -4.994 1.00 0.00 C ATOM 807 CD1 PHE A 50 2.130 3.278 -5.716 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.114 2.101 -3.676 1.00 0.00 C ATOM 809 CE1 PHE A 50 1.467 4.367 -5.093 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.451 3.191 -3.052 1.00 0.00 C ATOM 811 CZ PHE A 50 1.142 4.301 -3.775 1.00 0.00 C ATOM 0 H PHE A 50 1.592 -0.631 -4.852 1.00 0.00 H new ATOM 0 HA PHE A 50 1.707 0.867 -7.297 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.519 0.314 -4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.029 1.369 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.389 3.331 -6.763 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.359 1.219 -3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.221 5.248 -5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.192 3.139 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.638 5.130 -3.301 1.00 0.00 H new ATOM 821 N GLY A 51 3.525 -1.826 -6.986 1.00 0.00 N ATOM 822 CA GLY A 51 4.373 -2.760 -7.706 1.00 0.00 C ATOM 823 C GLY A 51 3.752 -3.139 -9.052 1.00 0.00 C ATOM 824 O GLY A 51 4.372 -2.957 -10.099 1.00 0.00 O ATOM 0 H GLY A 51 3.236 -2.140 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.355 -2.315 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.524 -3.657 -7.106 1.00 0.00 H new ATOM 828 N THR A 52 2.536 -3.659 -8.980 1.00 0.00 N ATOM 829 CA THR A 52 1.825 -4.065 -10.181 1.00 0.00 C ATOM 830 C THR A 52 1.051 -2.883 -10.768 1.00 0.00 C ATOM 831 O THR A 52 0.697 -2.893 -11.945 1.00 0.00 O ATOM 832 CB THR A 52 0.932 -5.256 -9.821 1.00 0.00 C ATOM 833 OG1 THR A 52 0.150 -4.785 -8.726 1.00 0.00 O ATOM 834 CG2 THR A 52 1.724 -6.427 -9.237 1.00 0.00 C ATOM 0 H THR A 52 2.025 -3.809 -8.110 1.00 0.00 H new ATOM 0 HA THR A 52 2.516 -4.381 -10.962 1.00 0.00 H new ATOM 0 HB THR A 52 0.395 -5.589 -10.710 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.341 -5.534 -8.328 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.043 -7.244 -8.999 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.460 -6.768 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.234 -6.104 -8.329 1.00 0.00 H new ATOM 842 N HIS A 53 0.814 -1.892 -9.921 1.00 0.00 N ATOM 843 CA HIS A 53 0.090 -0.705 -10.342 1.00 0.00 C ATOM 844 C HIS A 53 -1.368 -1.069 -10.635 1.00 0.00 C ATOM 845 O HIS A 53 -1.951 -0.579 -11.600 1.00 0.00 O ATOM 846 CB HIS A 53 0.785 -0.039 -11.532 1.00 0.00 C ATOM 847 CG HIS A 53 0.146 1.258 -11.969 1.00 0.00 C ATOM 848 ND1 HIS A 53 -0.396 1.439 -13.229 1.00 0.00 N ATOM 849 CD2 HIS A 53 -0.033 2.433 -11.299 1.00 0.00 C ATOM 850 CE1 HIS A 53 -0.876 2.672 -13.305 1.00 0.00 C ATOM 851 NE2 HIS A 53 -0.649 3.287 -12.108 1.00 0.00 N ATOM 0 H HIS A 53 1.111 -1.887 -8.945 1.00 0.00 H new ATOM 0 HA HIS A 53 0.090 0.030 -9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 53 1.826 0.150 -11.272 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.787 -0.732 -12.373 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.274 2.634 -10.283 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.361 3.113 -14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.910 4.245 -11.873 1.00 0.00 H new ATOM 859 N GLU A 54 -1.913 -1.925 -9.782 1.00 0.00 N ATOM 860 CA GLU A 54 -3.290 -2.359 -9.936 1.00 0.00 C ATOM 861 C GLU A 54 -4.017 -2.307 -8.592 1.00 0.00 C ATOM 862 O GLU A 54 -3.382 -2.323 -7.537 1.00 0.00 O ATOM 863 CB GLU A 54 -3.357 -3.763 -10.541 1.00 0.00 C ATOM 864 CG GLU A 54 -2.824 -4.810 -9.559 1.00 0.00 C ATOM 865 CD GLU A 54 -3.758 -6.020 -9.489 1.00 0.00 C ATOM 866 OE1 GLU A 54 -3.932 -6.664 -10.546 1.00 0.00 O ATOM 867 OE2 GLU A 54 -4.276 -6.273 -8.380 1.00 0.00 O ATOM 0 H GLU A 54 -1.425 -2.329 -8.982 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.790 -1.677 -10.624 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.387 -4.000 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.775 -3.794 -11.462 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.829 -5.131 -9.868 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.722 -4.367 -8.568 1.00 0.00 H new ATOM 874 N THR A 55 -5.337 -2.244 -8.671 1.00 0.00 N ATOM 875 CA THR A 55 -6.158 -2.189 -7.473 1.00 0.00 C ATOM 876 C THR A 55 -6.715 -3.574 -7.142 1.00 0.00 C ATOM 877 O THR A 55 -7.495 -4.134 -7.912 1.00 0.00 O ATOM 878 CB THR A 55 -7.245 -1.133 -7.692 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.591 0.101 -7.414 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.356 -1.211 -6.643 1.00 0.00 C ATOM 0 H THR A 55 -5.860 -2.230 -9.547 1.00 0.00 H new ATOM 0 HA THR A 55 -5.569 -1.895 -6.604 1.00 0.00 H new ATOM 0 HB THR A 55 -7.675 -1.255 -8.686 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.725 0.123 -7.872 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.101 -0.441 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.828 -2.193 -6.685 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.932 -1.055 -5.651 1.00 0.00 H new ATOM 888 N ALA A 56 -6.293 -4.089 -5.998 1.00 0.00 N ATOM 889 CA ALA A 56 -6.739 -5.400 -5.556 1.00 0.00 C ATOM 890 C ALA A 56 -7.586 -5.246 -4.292 1.00 0.00 C ATOM 891 O ALA A 56 -7.282 -4.419 -3.434 1.00 0.00 O ATOM 892 CB ALA A 56 -5.527 -6.306 -5.340 1.00 0.00 C ATOM 0 H ALA A 56 -5.646 -3.622 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.364 -5.869 -6.316 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.862 -7.289 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.977 -6.407 -6.275 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.877 -5.869 -4.582 1.00 0.00 H new ATOM 898 N PHE A 57 -8.631 -6.056 -4.216 1.00 0.00 N ATOM 899 CA PHE A 57 -9.525 -6.020 -3.070 1.00 0.00 C ATOM 900 C PHE A 57 -8.883 -6.691 -1.854 1.00 0.00 C ATOM 901 O PHE A 57 -8.751 -7.914 -1.811 1.00 0.00 O ATOM 902 CB PHE A 57 -10.784 -6.796 -3.460 1.00 0.00 C ATOM 903 CG PHE A 57 -11.355 -6.411 -4.826 1.00 0.00 C ATOM 904 CD1 PHE A 57 -11.308 -5.117 -5.241 1.00 0.00 C ATOM 905 CD2 PHE A 57 -11.908 -7.362 -5.626 1.00 0.00 C ATOM 906 CE1 PHE A 57 -11.838 -4.758 -6.509 1.00 0.00 C ATOM 907 CE2 PHE A 57 -12.438 -7.004 -6.893 1.00 0.00 C ATOM 908 CZ PHE A 57 -12.392 -5.710 -7.308 1.00 0.00 C ATOM 0 H PHE A 57 -8.879 -6.742 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.750 -4.987 -2.806 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.556 -7.862 -3.461 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.548 -6.634 -2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.868 -4.362 -4.606 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.944 -8.390 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.801 -3.730 -6.839 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.878 -7.759 -7.527 1.00 0.00 H new ATOM 0 HZ PHE A 57 -12.795 -5.438 -8.272 1.00 0.00 H new ATOM 918 N LEU A 58 -8.498 -5.862 -0.894 1.00 0.00 N ATOM 919 CA LEU A 58 -7.874 -6.360 0.319 1.00 0.00 C ATOM 920 C LEU A 58 -8.440 -5.607 1.524 1.00 0.00 C ATOM 921 O LEU A 58 -9.183 -4.639 1.364 1.00 0.00 O ATOM 922 CB LEU A 58 -6.350 -6.283 0.208 1.00 0.00 C ATOM 923 CG LEU A 58 -5.684 -7.364 -0.645 1.00 0.00 C ATOM 924 CD1 LEU A 58 -4.161 -7.239 -0.601 1.00 0.00 C ATOM 925 CD2 LEU A 58 -6.157 -8.759 -0.230 1.00 0.00 C ATOM 0 H LEU A 58 -8.607 -4.849 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.108 -7.415 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.084 -5.309 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.930 -6.331 1.213 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.988 -7.215 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.714 -8.020 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.865 -6.262 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.817 -7.346 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.668 -9.509 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.903 -8.933 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.237 -8.830 -0.357 1.00 0.00 H new ATOM 937 N GLY A 59 -8.069 -6.080 2.705 1.00 0.00 N ATOM 938 CA GLY A 59 -8.531 -5.463 3.938 1.00 0.00 C ATOM 939 C GLY A 59 -7.351 -5.048 4.820 1.00 0.00 C ATOM 940 O GLY A 59 -6.239 -4.863 4.327 1.00 0.00 O ATOM 0 H GLY A 59 -7.454 -6.883 2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.141 -4.590 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.168 -6.161 4.481 1.00 0.00 H new ATOM 944 N PRO A 60 -7.641 -4.912 6.141 1.00 0.00 N ATOM 945 CA PRO A 60 -6.617 -4.522 7.095 1.00 0.00 C ATOM 946 C PRO A 60 -5.670 -5.687 7.388 1.00 0.00 C ATOM 947 O PRO A 60 -4.504 -5.475 7.720 1.00 0.00 O ATOM 948 CB PRO A 60 -7.383 -4.055 8.323 1.00 0.00 C ATOM 949 CG PRO A 60 -8.781 -4.632 8.188 1.00 0.00 C ATOM 950 CD PRO A 60 -8.948 -5.124 6.759 1.00 0.00 C ATOM 0 HA PRO A 60 -5.970 -3.729 6.719 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.904 -4.403 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.413 -2.967 8.374 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.925 -5.451 8.893 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.530 -3.875 8.421 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.233 -6.176 6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.728 -4.569 6.237 1.00 0.00 H new ATOM 958 N LYS A 61 -6.206 -6.892 7.256 1.00 0.00 N ATOM 959 CA LYS A 61 -5.422 -8.090 7.504 1.00 0.00 C ATOM 960 C LYS A 61 -4.418 -8.281 6.365 1.00 0.00 C ATOM 961 O LYS A 61 -3.440 -9.013 6.512 1.00 0.00 O ATOM 962 CB LYS A 61 -6.340 -9.294 7.721 1.00 0.00 C ATOM 963 CG LYS A 61 -5.526 -10.564 7.983 1.00 0.00 C ATOM 964 CD LYS A 61 -5.861 -11.158 9.352 1.00 0.00 C ATOM 965 CE LYS A 61 -4.958 -12.352 9.667 1.00 0.00 C ATOM 966 NZ LYS A 61 -5.722 -13.409 10.368 1.00 0.00 N ATOM 0 H LYS A 61 -7.173 -7.064 6.981 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.847 -7.986 8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.004 -9.103 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.972 -9.437 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.731 -11.298 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.462 -10.335 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.743 -10.395 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.905 -11.472 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.537 -12.751 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.121 -12.029 10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.094 -14.212 10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.103 -13.030 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.506 -13.729 9.764 1.00 0.00 H new ATOM 980 N ASP A 62 -4.691 -7.607 5.258 1.00 0.00 N ATOM 981 CA ASP A 62 -3.823 -7.694 4.096 1.00 0.00 C ATOM 982 C ASP A 62 -3.006 -6.406 3.980 1.00 0.00 C ATOM 983 O ASP A 62 -2.350 -6.172 2.965 1.00 0.00 O ATOM 984 CB ASP A 62 -4.637 -7.855 2.811 1.00 0.00 C ATOM 985 CG ASP A 62 -4.919 -9.301 2.400 1.00 0.00 C ATOM 986 OD1 ASP A 62 -3.983 -9.928 1.858 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.061 -9.747 2.638 1.00 0.00 O ATOM 0 H ASP A 62 -5.501 -6.998 5.141 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.175 -8.561 4.222 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.588 -7.336 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.106 -7.359 1.998 1.00 0.00 H new ATOM 992 N LEU A 63 -3.071 -5.603 5.032 1.00 0.00 N ATOM 993 CA LEU A 63 -2.345 -4.345 5.060 1.00 0.00 C ATOM 994 C LEU A 63 -1.670 -4.182 6.424 1.00 0.00 C ATOM 995 O LEU A 63 -2.343 -4.129 7.451 1.00 0.00 O ATOM 996 CB LEU A 63 -3.269 -3.185 4.688 1.00 0.00 C ATOM 997 CG LEU A 63 -3.184 -2.698 3.240 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.121 -1.511 3.006 1.00 0.00 C ATOM 999 CD2 LEU A 63 -1.740 -2.372 2.855 1.00 0.00 C ATOM 0 H LEU A 63 -3.616 -5.800 5.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.554 -4.344 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.297 -3.486 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.048 -2.345 5.347 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.517 -3.505 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.042 -1.184 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.148 -1.811 3.214 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.842 -0.691 3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.708 -2.028 1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.357 -1.589 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.125 -3.266 2.959 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.348 -4.105 6.387 1.00 0.00 N ATOM 1012 CA PHE A 64 0.426 -3.947 7.608 1.00 0.00 C ATOM 1013 C PHE A 64 1.146 -2.599 7.631 1.00 0.00 C ATOM 1014 O PHE A 64 1.554 -2.090 6.588 1.00 0.00 O ATOM 1015 CB PHE A 64 1.467 -5.069 7.626 1.00 0.00 C ATOM 1016 CG PHE A 64 1.348 -6.009 8.827 1.00 0.00 C ATOM 1017 CD1 PHE A 64 0.142 -6.542 9.155 1.00 0.00 C ATOM 1018 CD2 PHE A 64 2.450 -6.313 9.564 1.00 0.00 C ATOM 1019 CE1 PHE A 64 0.033 -7.416 10.271 1.00 0.00 C ATOM 1020 CE2 PHE A 64 2.341 -7.186 10.678 1.00 0.00 C ATOM 1021 CZ PHE A 64 1.134 -7.719 11.008 1.00 0.00 C ATOM 0 H PHE A 64 0.207 -4.149 5.532 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.234 -3.990 8.475 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.373 -5.653 6.710 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.463 -4.627 7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.733 -6.302 8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.408 -5.890 9.302 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.925 -7.839 10.533 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.216 -7.427 11.263 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.050 -8.383 11.856 1.00 0.00 H new ATOM 1031 N PRO A 65 1.285 -2.041 8.864 1.00 0.00 N ATOM 1032 CA PRO A 65 1.950 -0.760 9.037 1.00 0.00 C ATOM 1033 C PRO A 65 3.466 -0.906 8.894 1.00 0.00 C ATOM 1034 O PRO A 65 3.983 -2.020 8.826 1.00 0.00 O ATOM 1035 CB PRO A 65 1.525 -0.280 10.415 1.00 0.00 C ATOM 1036 CG PRO A 65 1.019 -1.511 11.147 1.00 0.00 C ATOM 1037 CD PRO A 65 0.814 -2.614 10.122 1.00 0.00 C ATOM 0 HA PRO A 65 1.671 -0.034 8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.362 0.174 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.746 0.478 10.341 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.735 -1.824 11.906 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.084 -1.291 11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.377 -3.509 10.385 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.234 -2.905 10.057 1.00 0.00 H new ATOM 1045 N TYR A 66 4.136 0.236 8.852 1.00 0.00 N ATOM 1046 CA TYR A 66 5.583 0.250 8.719 1.00 0.00 C ATOM 1047 C TYR A 66 6.260 0.035 10.075 1.00 0.00 C ATOM 1048 O TYR A 66 7.239 -0.704 10.173 1.00 0.00 O ATOM 1049 CB TYR A 66 5.945 1.641 8.197 1.00 0.00 C ATOM 1050 CG TYR A 66 7.373 2.080 8.531 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.434 1.591 7.797 1.00 0.00 C ATOM 1052 CD2 TYR A 66 7.598 2.962 9.567 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.777 2.004 8.112 1.00 0.00 C ATOM 1054 CE2 TYR A 66 8.942 3.376 9.882 1.00 0.00 C ATOM 1055 CZ TYR A 66 9.965 2.876 9.139 1.00 0.00 C ATOM 1056 OH TYR A 66 11.233 3.266 9.436 1.00 0.00 O ATOM 0 H TYR A 66 3.704 1.158 8.908 1.00 0.00 H new ATOM 0 HA TYR A 66 5.915 -0.546 8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.815 1.657 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.246 2.367 8.613 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.257 0.899 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.767 3.343 10.142 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.617 1.630 7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.132 4.067 10.690 1.00 0.00 H new ATOM 0 HH TYR A 66 11.215 3.891 10.191 1.00 0.00 H new ATOM 1066 N GLU A 67 5.713 0.694 11.085 1.00 0.00 N ATOM 1067 CA GLU A 67 6.251 0.585 12.430 1.00 0.00 C ATOM 1068 C GLU A 67 6.406 -0.886 12.822 1.00 0.00 C ATOM 1069 O GLU A 67 7.472 -1.304 13.270 1.00 0.00 O ATOM 1070 CB GLU A 67 5.371 1.331 13.437 1.00 0.00 C ATOM 1071 CG GLU A 67 5.846 2.773 13.614 1.00 0.00 C ATOM 1072 CD GLU A 67 6.406 2.996 15.021 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.870 2.357 15.952 1.00 0.00 O ATOM 1074 OE2 GLU A 67 7.357 3.801 15.133 1.00 0.00 O ATOM 0 H GLU A 67 4.902 1.306 10.999 1.00 0.00 H new ATOM 0 HA GLU A 67 7.236 1.051 12.444 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.336 1.324 13.096 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.394 0.816 14.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.612 3.001 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.017 3.458 13.436 1.00 0.00 H new ATOM 1081 N GLU A 68 5.326 -1.630 12.639 1.00 0.00 N ATOM 1082 CA GLU A 68 5.327 -3.046 12.968 1.00 0.00 C ATOM 1083 C GLU A 68 6.267 -3.807 12.031 1.00 0.00 C ATOM 1084 O GLU A 68 7.043 -4.652 12.475 1.00 0.00 O ATOM 1085 CB GLU A 68 3.913 -3.624 12.913 1.00 0.00 C ATOM 1086 CG GLU A 68 3.700 -4.660 14.019 1.00 0.00 C ATOM 1087 CD GLU A 68 3.702 -6.080 13.448 1.00 0.00 C ATOM 1088 OE1 GLU A 68 4.774 -6.489 12.951 1.00 0.00 O ATOM 1089 OE2 GLU A 68 2.633 -6.723 13.521 1.00 0.00 O ATOM 0 H GLU A 68 4.443 -1.279 12.267 1.00 0.00 H new ATOM 0 HA GLU A 68 5.690 -3.161 13.989 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.184 -2.821 13.017 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.742 -4.085 11.940 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.486 -4.564 14.768 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.753 -4.469 14.524 1.00 0.00 H new ATOM 1096 N SER A 69 6.167 -3.480 10.750 1.00 0.00 N ATOM 1097 CA SER A 69 6.998 -4.122 9.747 1.00 0.00 C ATOM 1098 C SER A 69 8.476 -3.943 10.098 1.00 0.00 C ATOM 1099 O SER A 69 9.231 -4.912 10.137 1.00 0.00 O ATOM 1100 CB SER A 69 6.712 -3.560 8.352 1.00 0.00 C ATOM 1101 OG SER A 69 6.164 -4.547 7.481 1.00 0.00 O ATOM 0 H SER A 69 5.523 -2.779 10.385 1.00 0.00 H new ATOM 0 HA SER A 69 6.760 -5.186 9.737 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.019 -2.723 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.634 -3.169 7.922 1.00 0.00 H new ATOM 0 HG SER A 69 5.994 -4.149 6.602 1.00 0.00 H new ATOM 1107 N LYS A 70 8.844 -2.694 10.343 1.00 0.00 N ATOM 1108 CA LYS A 70 10.219 -2.373 10.690 1.00 0.00 C ATOM 1109 C LYS A 70 10.522 -2.899 12.094 1.00 0.00 C ATOM 1110 O LYS A 70 11.680 -2.939 12.510 1.00 0.00 O ATOM 1111 CB LYS A 70 10.479 -0.874 10.525 1.00 0.00 C ATOM 1112 CG LYS A 70 9.779 -0.072 11.625 1.00 0.00 C ATOM 1113 CD LYS A 70 10.529 -0.196 12.953 1.00 0.00 C ATOM 1114 CE LYS A 70 10.485 1.121 13.731 1.00 0.00 C ATOM 1115 NZ LYS A 70 10.983 0.924 15.111 1.00 0.00 N ATOM 0 H LYS A 70 8.214 -1.892 10.308 1.00 0.00 H new ATOM 0 HA LYS A 70 10.909 -2.869 10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.551 -0.682 10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.124 -0.545 9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.719 0.977 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.756 -0.429 11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.086 -0.992 13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.565 -0.477 12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.091 1.871 13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.464 1.501 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.947 1.827 15.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.388 0.224 15.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.965 0.582 15.080 1.00 0.00 H new ATOM 1129 N GLU A 71 9.462 -3.290 12.787 1.00 0.00 N ATOM 1130 CA GLU A 71 9.601 -3.811 14.136 1.00 0.00 C ATOM 1131 C GLU A 71 10.297 -5.173 14.110 1.00 0.00 C ATOM 1132 O GLU A 71 11.254 -5.399 14.851 1.00 0.00 O ATOM 1133 CB GLU A 71 8.240 -3.903 14.831 1.00 0.00 C ATOM 1134 CG GLU A 71 8.397 -3.858 16.352 1.00 0.00 C ATOM 1135 CD GLU A 71 7.240 -3.095 17.000 1.00 0.00 C ATOM 1136 OE1 GLU A 71 7.047 -1.921 16.615 1.00 0.00 O ATOM 1137 OE2 GLU A 71 6.572 -3.703 17.864 1.00 0.00 O ATOM 0 H GLU A 71 8.504 -3.256 12.439 1.00 0.00 H new ATOM 0 HA GLU A 71 10.219 -3.120 14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.604 -3.081 14.503 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.741 -4.828 14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.435 -4.873 16.747 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.342 -3.380 16.610 1.00 0.00 H new ATOM 1144 N LYS A 72 9.790 -6.045 13.250 1.00 0.00 N ATOM 1145 CA LYS A 72 10.352 -7.378 13.118 1.00 0.00 C ATOM 1146 C LYS A 72 11.183 -7.451 11.835 1.00 0.00 C ATOM 1147 O LYS A 72 12.404 -7.587 11.888 1.00 0.00 O ATOM 1148 CB LYS A 72 9.248 -8.435 13.199 1.00 0.00 C ATOM 1149 CG LYS A 72 9.769 -9.805 12.762 1.00 0.00 C ATOM 1150 CD LYS A 72 10.569 -10.469 13.886 1.00 0.00 C ATOM 1151 CE LYS A 72 12.071 -10.401 13.602 1.00 0.00 C ATOM 1152 NZ LYS A 72 12.816 -11.259 14.550 1.00 0.00 N ATOM 0 H LYS A 72 8.996 -5.854 12.638 1.00 0.00 H new ATOM 0 HA LYS A 72 11.027 -7.592 13.947 1.00 0.00 H new ATOM 0 HB2 LYS A 72 8.870 -8.494 14.220 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.411 -8.141 12.566 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.932 -10.444 12.480 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.398 -9.695 11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.351 -9.975 14.833 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.262 -11.509 13.991 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.269 -10.722 12.579 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.417 -9.371 13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.834 -11.202 14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.641 -10.935 15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.498 -12.244 14.451 1.00 0.00 H new ATOM 1166 N PHE A 73 10.486 -7.362 10.711 1.00 0.00 N ATOM 1167 CA PHE A 73 11.145 -7.416 9.417 1.00 0.00 C ATOM 1168 C PHE A 73 10.654 -6.290 8.504 1.00 0.00 C ATOM 1169 O PHE A 73 11.299 -5.248 8.398 1.00 0.00 O ATOM 1170 CB PHE A 73 10.780 -8.762 8.788 1.00 0.00 C ATOM 1171 CG PHE A 73 11.899 -9.803 8.853 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.492 -10.090 10.044 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.302 -10.442 7.722 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.532 -11.056 10.106 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.341 -11.409 7.784 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.933 -11.695 8.974 1.00 0.00 C ATOM 0 H PHE A 73 9.473 -7.253 10.670 1.00 0.00 H new ATOM 0 HA PHE A 73 12.222 -7.302 9.542 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.898 -9.159 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 73 10.507 -8.602 7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.172 -9.583 10.942 1.00 0.00 H new ATOM 0 HD2 PHE A 73 11.832 -10.214 6.777 1.00 0.00 H new ATOM 0 HE1 PHE A 73 14.004 -11.283 11.051 1.00 0.00 H new ATOM 0 HE2 PHE A 73 13.660 -11.917 6.886 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.723 -12.430 9.021 1.00 0.00 H new ATOM 1186 N GLY A 74 9.518 -6.539 7.869 1.00 0.00 N ATOM 1187 CA GLY A 74 8.935 -5.558 6.969 1.00 0.00 C ATOM 1188 C GLY A 74 9.717 -5.485 5.657 1.00 0.00 C ATOM 1189 O GLY A 74 9.477 -4.603 4.835 1.00 0.00 O ATOM 0 H GLY A 74 8.986 -7.405 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.897 -5.819 6.764 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.929 -4.579 7.448 1.00 0.00 H new ATOM 1193 N LYS A 75 10.638 -6.425 5.500 1.00 0.00 N ATOM 1194 CA LYS A 75 11.458 -6.478 4.302 1.00 0.00 C ATOM 1195 C LYS A 75 11.156 -7.771 3.540 1.00 0.00 C ATOM 1196 O LYS A 75 11.712 -8.823 3.850 1.00 0.00 O ATOM 1197 CB LYS A 75 12.935 -6.302 4.654 1.00 0.00 C ATOM 1198 CG LYS A 75 13.125 -5.184 5.682 1.00 0.00 C ATOM 1199 CD LYS A 75 12.699 -3.833 5.107 1.00 0.00 C ATOM 1200 CE LYS A 75 13.119 -2.686 6.029 1.00 0.00 C ATOM 1201 NZ LYS A 75 13.991 -1.734 5.307 1.00 0.00 N ATOM 0 H LYS A 75 10.834 -7.156 6.183 1.00 0.00 H new ATOM 0 HA LYS A 75 11.214 -5.650 3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.332 -7.237 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.502 -6.072 3.752 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.541 -5.404 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.170 -5.140 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.147 -3.695 4.123 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.618 -3.817 4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.235 -2.168 6.401 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.645 -3.083 6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.267 -0.962 5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.843 -2.228 4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.477 -1.342 4.493 1.00 0.00 H new ATOM 1215 N PRO A 76 10.253 -7.646 2.531 1.00 0.00 N ATOM 1216 CA PRO A 76 9.871 -8.790 1.722 1.00 0.00 C ATOM 1217 C PRO A 76 10.979 -9.156 0.732 1.00 0.00 C ATOM 1218 O PRO A 76 11.982 -8.452 0.630 1.00 0.00 O ATOM 1219 CB PRO A 76 8.577 -8.377 1.040 1.00 0.00 C ATOM 1220 CG PRO A 76 8.529 -6.859 1.124 1.00 0.00 C ATOM 1221 CD PRO A 76 9.574 -6.415 2.133 1.00 0.00 C ATOM 0 HA PRO A 76 9.722 -9.693 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.558 -8.712 0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.715 -8.823 1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.728 -6.416 0.148 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.537 -6.525 1.429 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.272 -5.703 1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.113 -5.922 2.989 1.00 0.00 H new ATOM 1229 N ASN A 77 10.759 -10.258 0.028 1.00 0.00 N ATOM 1230 CA ASN A 77 11.726 -10.725 -0.950 1.00 0.00 C ATOM 1231 C ASN A 77 12.122 -9.565 -1.864 1.00 0.00 C ATOM 1232 O ASN A 77 11.310 -8.686 -2.145 1.00 0.00 O ATOM 1233 CB ASN A 77 11.135 -11.834 -1.822 1.00 0.00 C ATOM 1234 CG ASN A 77 10.382 -12.859 -0.970 1.00 0.00 C ATOM 1235 OD1 ASN A 77 10.905 -13.893 -0.590 1.00 0.00 O ATOM 1236 ND2 ASN A 77 9.128 -12.513 -0.695 1.00 0.00 N ATOM 0 H ASN A 77 9.926 -10.840 0.116 1.00 0.00 H new ATOM 0 HA ASN A 77 12.591 -11.112 -0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.458 -11.401 -2.559 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.932 -12.331 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.540 -13.129 -0.133 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.754 -11.631 -1.046 1.00 0.00 H new ATOM 1243 N LYS A 78 13.372 -9.600 -2.307 1.00 0.00 N ATOM 1244 CA LYS A 78 13.885 -8.563 -3.184 1.00 0.00 C ATOM 1245 C LYS A 78 13.644 -8.968 -4.640 1.00 0.00 C ATOM 1246 O LYS A 78 14.523 -9.541 -5.281 1.00 0.00 O ATOM 1247 CB LYS A 78 15.351 -8.265 -2.861 1.00 0.00 C ATOM 1248 CG LYS A 78 15.485 -6.967 -2.064 1.00 0.00 C ATOM 1249 CD LYS A 78 15.970 -5.822 -2.956 1.00 0.00 C ATOM 1250 CE LYS A 78 17.203 -5.145 -2.356 1.00 0.00 C ATOM 1251 NZ LYS A 78 18.429 -5.580 -3.061 1.00 0.00 N ATOM 0 H LYS A 78 14.044 -10.331 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 78 13.351 -7.627 -3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.776 -9.091 -2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.922 -8.188 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.523 -6.706 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.184 -7.112 -1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.208 -6.205 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.172 -5.089 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.101 -4.062 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.280 -5.389 -1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.256 -5.111 -2.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.533 -6.611 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.360 -5.325 -4.067 1.00 0.00 H new ATOM 1265 N ARG A 79 12.450 -8.653 -5.118 1.00 0.00 N ATOM 1266 CA ARG A 79 12.083 -8.976 -6.487 1.00 0.00 C ATOM 1267 C ARG A 79 12.237 -7.746 -7.383 1.00 0.00 C ATOM 1268 O ARG A 79 12.684 -6.694 -6.928 1.00 0.00 O ATOM 1269 CB ARG A 79 10.640 -9.479 -6.567 1.00 0.00 C ATOM 1270 CG ARG A 79 10.558 -10.963 -6.207 1.00 0.00 C ATOM 1271 CD ARG A 79 10.978 -11.839 -7.389 1.00 0.00 C ATOM 1272 NE ARG A 79 11.176 -13.235 -6.940 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.247 -13.659 -6.255 1.00 0.00 C ATOM 1274 NH1 ARG A 79 13.223 -12.796 -5.935 1.00 0.00 N ATOM 1275 NH2 ARG A 79 12.344 -14.945 -5.889 1.00 0.00 N ATOM 0 H ARG A 79 11.724 -8.178 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 79 12.751 -9.766 -6.831 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.011 -8.901 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.252 -9.323 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.200 -11.169 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.540 -11.213 -5.909 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.216 -11.803 -8.167 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.899 -11.455 -7.827 1.00 0.00 H new ATOM 0 HE ARG A 79 10.452 -13.917 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.150 -11.817 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.038 -13.118 -5.414 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.602 -15.602 -6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.160 -15.267 -5.368 1.00 0.00 H new ATOM 1289 N LYS A 80 11.858 -7.917 -8.641 1.00 0.00 N ATOM 1290 CA LYS A 80 11.948 -6.834 -9.604 1.00 0.00 C ATOM 1291 C LYS A 80 10.941 -5.743 -9.234 1.00 0.00 C ATOM 1292 O LYS A 80 11.327 -4.655 -8.810 1.00 0.00 O ATOM 1293 CB LYS A 80 11.781 -7.368 -11.029 1.00 0.00 C ATOM 1294 CG LYS A 80 13.137 -7.699 -11.652 1.00 0.00 C ATOM 1295 CD LYS A 80 13.277 -7.059 -13.035 1.00 0.00 C ATOM 1296 CE LYS A 80 14.175 -5.822 -12.979 1.00 0.00 C ATOM 1297 NZ LYS A 80 13.376 -4.592 -13.177 1.00 0.00 N ATOM 0 H LYS A 80 11.488 -8.791 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 80 12.938 -6.378 -9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.155 -8.260 -11.016 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.267 -6.627 -11.641 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.936 -7.345 -11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.249 -8.780 -11.735 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.694 -7.784 -13.734 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.293 -6.781 -13.412 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.686 -5.780 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.946 -5.890 -13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.001 -3.762 -13.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.908 -4.628 -14.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.657 -4.521 -12.429 1.00 0.00 H new ATOM 1311 N GLY A 81 9.669 -6.072 -9.410 1.00 0.00 N ATOM 1312 CA GLY A 81 8.604 -5.134 -9.100 1.00 0.00 C ATOM 1313 C GLY A 81 8.730 -4.616 -7.666 1.00 0.00 C ATOM 1314 O GLY A 81 8.135 -3.598 -7.316 1.00 0.00 O ATOM 0 H GLY A 81 9.353 -6.975 -9.763 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.638 -4.297 -9.797 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.637 -5.620 -9.231 1.00 0.00 H new ATOM 1318 N PHE A 82 9.507 -5.341 -6.875 1.00 0.00 N ATOM 1319 CA PHE A 82 9.718 -4.967 -5.487 1.00 0.00 C ATOM 1320 C PHE A 82 10.676 -3.779 -5.379 1.00 0.00 C ATOM 1321 O PHE A 82 10.484 -2.896 -4.544 1.00 0.00 O ATOM 1322 CB PHE A 82 10.344 -6.176 -4.788 1.00 0.00 C ATOM 1323 CG PHE A 82 11.005 -5.848 -3.447 1.00 0.00 C ATOM 1324 CD1 PHE A 82 12.124 -5.077 -3.412 1.00 0.00 C ATOM 1325 CD2 PHE A 82 10.469 -6.325 -2.292 1.00 0.00 C ATOM 1326 CE1 PHE A 82 12.736 -4.773 -2.168 1.00 0.00 C ATOM 1327 CE2 PHE A 82 11.081 -6.020 -1.047 1.00 0.00 C ATOM 1328 CZ PHE A 82 12.203 -5.251 -1.010 1.00 0.00 C ATOM 0 H PHE A 82 9.998 -6.185 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 82 8.771 -4.679 -5.031 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.572 -6.929 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.088 -6.620 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.547 -4.696 -4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.579 -6.935 -2.321 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.626 -4.162 -2.140 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.656 -6.399 -0.129 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.670 -5.020 -0.064 1.00 0.00 H new ATOM 1338 N SER A 83 11.686 -3.794 -6.234 1.00 0.00 N ATOM 1339 CA SER A 83 12.675 -2.729 -6.246 1.00 0.00 C ATOM 1340 C SER A 83 12.050 -1.443 -6.793 1.00 0.00 C ATOM 1341 O SER A 83 12.038 -0.417 -6.115 1.00 0.00 O ATOM 1342 CB SER A 83 13.898 -3.121 -7.077 1.00 0.00 C ATOM 1343 OG SER A 83 15.094 -2.526 -6.580 1.00 0.00 O ATOM 0 H SER A 83 11.842 -4.528 -6.925 1.00 0.00 H new ATOM 0 HA SER A 83 13.007 -2.558 -5.222 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.005 -4.206 -7.075 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.745 -2.817 -8.113 1.00 0.00 H new ATOM 0 HG SER A 83 15.852 -2.802 -7.136 1.00 0.00 H new ATOM 1349 N GLU A 84 11.548 -1.539 -8.015 1.00 0.00 N ATOM 1350 CA GLU A 84 10.924 -0.397 -8.660 1.00 0.00 C ATOM 1351 C GLU A 84 9.648 0.001 -7.916 1.00 0.00 C ATOM 1352 O GLU A 84 9.275 1.174 -7.902 1.00 0.00 O ATOM 1353 CB GLU A 84 10.632 -0.692 -10.133 1.00 0.00 C ATOM 1354 CG GLU A 84 9.242 -1.313 -10.301 1.00 0.00 C ATOM 1355 CD GLU A 84 9.030 -1.801 -11.736 1.00 0.00 C ATOM 1356 OE1 GLU A 84 10.031 -2.251 -12.336 1.00 0.00 O ATOM 1357 OE2 GLU A 84 7.874 -1.712 -12.201 1.00 0.00 O ATOM 0 H GLU A 84 11.561 -2.391 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 84 11.619 0.442 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.695 0.229 -10.712 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.388 -1.370 -10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.126 -2.147 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.478 -0.578 -10.046 1.00 0.00 H new ATOM 1364 N GLY A 85 9.014 -0.996 -7.318 1.00 0.00 N ATOM 1365 CA GLY A 85 7.788 -0.763 -6.574 1.00 0.00 C ATOM 1366 C GLY A 85 8.059 0.062 -5.314 1.00 0.00 C ATOM 1367 O GLY A 85 7.465 1.122 -5.122 1.00 0.00 O ATOM 0 H GLY A 85 9.326 -1.967 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.068 -0.242 -7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.339 -1.717 -6.299 1.00 0.00 H new ATOM 1371 N LEU A 86 8.956 -0.455 -4.488 1.00 0.00 N ATOM 1372 CA LEU A 86 9.313 0.221 -3.252 1.00 0.00 C ATOM 1373 C LEU A 86 9.843 1.619 -3.576 1.00 0.00 C ATOM 1374 O LEU A 86 9.715 2.538 -2.768 1.00 0.00 O ATOM 1375 CB LEU A 86 10.288 -0.632 -2.437 1.00 0.00 C ATOM 1376 CG LEU A 86 11.310 0.135 -1.596 1.00 0.00 C ATOM 1377 CD1 LEU A 86 12.300 0.886 -2.489 1.00 0.00 C ATOM 1378 CD2 LEU A 86 10.614 1.066 -0.602 1.00 0.00 C ATOM 0 H LEU A 86 9.447 -1.334 -4.650 1.00 0.00 H new ATOM 0 HA LEU A 86 8.434 0.350 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.710 -1.275 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.828 -1.285 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 86 11.884 -0.586 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.016 1.423 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.831 0.175 -3.122 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.759 1.596 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.363 1.599 -0.017 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.999 1.784 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.983 0.479 0.065 1.00 0.00 H new ATOM 1390 N TRP A 87 10.428 1.738 -4.760 1.00 0.00 N ATOM 1391 CA TRP A 87 10.978 3.008 -5.199 1.00 0.00 C ATOM 1392 C TRP A 87 9.846 3.817 -5.837 1.00 0.00 C ATOM 1393 O TRP A 87 9.926 5.041 -5.922 1.00 0.00 O ATOM 1394 CB TRP A 87 12.165 2.795 -6.141 1.00 0.00 C ATOM 1395 CG TRP A 87 13.458 3.465 -5.674 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.852 4.730 -5.877 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.517 2.850 -4.910 1.00 0.00 C ATOM 1398 NE1 TRP A 87 15.084 4.973 -5.304 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.501 3.795 -4.698 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.641 1.539 -4.417 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.678 3.530 -3.986 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.823 1.290 -3.710 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.822 2.230 -3.486 1.00 0.00 C ATOM 0 H TRP A 87 10.532 0.974 -5.428 1.00 0.00 H new ATOM 0 HA TRP A 87 11.375 3.570 -4.354 1.00 0.00 H new ATOM 0 HB2 TRP A 87 12.341 1.725 -6.250 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.906 3.178 -7.128 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.278 5.466 -6.420 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.595 5.856 -5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.884 0.784 -4.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 17.433 4.287 -3.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.969 0.297 -3.310 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.706 1.959 -2.928 1.00 0.00 H new ATOM 1414 N GLU A 88 8.819 3.101 -6.267 1.00 0.00 N ATOM 1415 CA GLU A 88 7.672 3.737 -6.894 1.00 0.00 C ATOM 1416 C GLU A 88 6.847 4.489 -5.849 1.00 0.00 C ATOM 1417 O GLU A 88 6.128 5.431 -6.180 1.00 0.00 O ATOM 1418 CB GLU A 88 6.814 2.712 -7.637 1.00 0.00 C ATOM 1419 CG GLU A 88 7.241 2.599 -9.102 1.00 0.00 C ATOM 1420 CD GLU A 88 6.349 3.457 -10.000 1.00 0.00 C ATOM 1421 OE1 GLU A 88 6.359 4.691 -9.798 1.00 0.00 O ATOM 1422 OE2 GLU A 88 5.675 2.861 -10.869 1.00 0.00 O ATOM 0 H GLU A 88 8.756 2.086 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 88 8.036 4.456 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.902 1.739 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.765 3.002 -7.582 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.279 2.914 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.190 1.558 -9.420 1.00 0.00 H new ATOM 1429 N ILE A 89 6.974 4.044 -4.608 1.00 0.00 N ATOM 1430 CA ILE A 89 6.248 4.662 -3.512 1.00 0.00 C ATOM 1431 C ILE A 89 7.164 5.656 -2.793 1.00 0.00 C ATOM 1432 O ILE A 89 6.746 6.764 -2.463 1.00 0.00 O ATOM 1433 CB ILE A 89 5.656 3.595 -2.590 1.00 0.00 C ATOM 1434 CG1 ILE A 89 5.200 4.207 -1.264 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.642 2.444 -2.381 1.00 0.00 C ATOM 1436 CD1 ILE A 89 6.359 4.282 -0.268 1.00 0.00 C ATOM 0 H ILE A 89 7.570 3.262 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 89 5.398 5.229 -3.892 1.00 0.00 H new ATOM 0 HB ILE A 89 4.772 3.179 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.801 5.206 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 89 4.392 3.610 -0.843 1.00 0.00 H new ATOM 0 HG21 ILE A 89 6.197 1.699 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.875 1.985 -3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.558 2.827 -1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.008 4.721 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.740 3.279 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 89 7.156 4.900 -0.682 1.00 0.00 H new ATOM 1448 N GLU A 90 8.397 5.222 -2.575 1.00 0.00 N ATOM 1449 CA GLU A 90 9.377 6.059 -1.903 1.00 0.00 C ATOM 1450 C GLU A 90 9.881 7.149 -2.850 1.00 0.00 C ATOM 1451 O GLU A 90 10.291 8.221 -2.406 1.00 0.00 O ATOM 1452 CB GLU A 90 10.537 5.221 -1.366 1.00 0.00 C ATOM 1453 CG GLU A 90 10.256 4.748 0.063 1.00 0.00 C ATOM 1454 CD GLU A 90 10.695 5.799 1.084 1.00 0.00 C ATOM 1455 OE1 GLU A 90 9.923 6.764 1.272 1.00 0.00 O ATOM 1456 OE2 GLU A 90 11.792 5.613 1.654 1.00 0.00 O ATOM 0 H GLU A 90 8.740 4.302 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 90 8.894 6.539 -1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.698 4.359 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.455 5.809 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.192 4.544 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.782 3.812 0.250 1.00 0.00 H new ATOM 1463 N ASN A 91 9.834 6.840 -4.137 1.00 0.00 N ATOM 1464 CA ASN A 91 10.281 7.781 -5.151 1.00 0.00 C ATOM 1465 C ASN A 91 9.257 7.825 -6.287 1.00 0.00 C ATOM 1466 O ASN A 91 9.530 7.359 -7.391 1.00 0.00 O ATOM 1467 CB ASN A 91 11.626 7.354 -5.743 1.00 0.00 C ATOM 1468 CG ASN A 91 12.595 6.916 -4.644 1.00 0.00 C ATOM 1469 OD1 ASN A 91 13.661 7.482 -4.458 1.00 0.00 O ATOM 1470 ND2 ASN A 91 12.169 5.881 -3.927 1.00 0.00 N ATOM 0 H ASN A 91 9.493 5.951 -4.502 1.00 0.00 H new ATOM 0 HA ASN A 91 10.388 8.759 -4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.474 6.535 -6.446 1.00 0.00 H new ATOM 0 HB3 ASN A 91 12.059 8.181 -6.306 1.00 0.00 H new ATOM 0 HD21 ASN A 91 12.745 5.514 -3.169 1.00 0.00 H new ATOM 0 HD22 ASN A 91 11.267 5.453 -4.135 1.00 0.00 H new ATOM 1477 N ASN A 92 8.100 8.392 -5.974 1.00 0.00 N ATOM 1478 CA ASN A 92 7.034 8.505 -6.956 1.00 0.00 C ATOM 1479 C ASN A 92 7.270 9.743 -7.821 1.00 0.00 C ATOM 1480 O ASN A 92 7.847 10.726 -7.360 1.00 0.00 O ATOM 1481 CB ASN A 92 5.672 8.657 -6.274 1.00 0.00 C ATOM 1482 CG ASN A 92 5.721 9.732 -5.187 1.00 0.00 C ATOM 1483 OD1 ASN A 92 6.751 10.325 -4.909 1.00 0.00 O ATOM 1484 ND2 ASN A 92 4.552 9.954 -4.593 1.00 0.00 N ATOM 0 H ASN A 92 7.878 8.777 -5.056 1.00 0.00 H new ATOM 0 HA ASN A 92 7.036 7.598 -7.561 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.917 8.918 -7.015 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.372 7.705 -5.836 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.479 10.656 -3.857 1.00 0.00 H new ATOM 0 HD22 ASN A 92 3.728 9.422 -4.874 1.00 0.00 H new ATOM 1491 N PRO A 93 6.803 9.653 -9.095 1.00 0.00 N ATOM 1492 CA PRO A 93 6.960 10.754 -10.029 1.00 0.00 C ATOM 1493 C PRO A 93 5.978 11.884 -9.714 1.00 0.00 C ATOM 1494 O PRO A 93 6.223 13.039 -10.057 1.00 0.00 O ATOM 1495 CB PRO A 93 6.735 10.141 -11.402 1.00 0.00 C ATOM 1496 CG PRO A 93 6.009 8.827 -11.158 1.00 0.00 C ATOM 1497 CD PRO A 93 6.117 8.503 -9.677 1.00 0.00 C ATOM 0 HA PRO A 93 7.945 11.218 -9.970 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.142 10.803 -12.033 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.682 9.975 -11.915 1.00 0.00 H new ATOM 0 HG2 PRO A 93 4.964 8.907 -11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.451 8.030 -11.756 1.00 0.00 H new ATOM 0 HD2 PRO A 93 5.133 8.361 -9.230 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.678 7.583 -9.513 1.00 0.00 H new ATOM 1505 N THR A 94 4.887 11.511 -9.060 1.00 0.00 N ATOM 1506 CA THR A 94 3.866 12.479 -8.694 1.00 0.00 C ATOM 1507 C THR A 94 3.651 12.479 -7.179 1.00 0.00 C ATOM 1508 O THR A 94 2.775 11.779 -6.673 1.00 0.00 O ATOM 1509 CB THR A 94 2.600 12.156 -9.488 1.00 0.00 C ATOM 1510 OG1 THR A 94 3.055 12.032 -10.832 1.00 0.00 O ATOM 1511 CG2 THR A 94 1.621 13.331 -9.533 1.00 0.00 C ATOM 0 H THR A 94 4.688 10.552 -8.774 1.00 0.00 H new ATOM 0 HA THR A 94 4.174 13.493 -8.947 1.00 0.00 H new ATOM 0 HB THR A 94 2.107 11.289 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.297 11.821 -11.416 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.740 13.048 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 94 1.322 13.595 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 94 2.103 14.188 -10.004 1.00 0.00 H new ATOM 1519 N VAL A 95 4.465 13.271 -6.496 1.00 0.00 N ATOM 1520 CA VAL A 95 4.375 13.370 -5.050 1.00 0.00 C ATOM 1521 C VAL A 95 3.488 14.561 -4.680 1.00 0.00 C ATOM 1522 O VAL A 95 2.899 15.198 -5.553 1.00 0.00 O ATOM 1523 CB VAL A 95 5.776 13.456 -4.442 1.00 0.00 C ATOM 1524 CG1 VAL A 95 6.324 14.883 -4.526 1.00 0.00 C ATOM 1525 CG2 VAL A 95 5.779 12.951 -2.997 1.00 0.00 C ATOM 0 H VAL A 95 5.190 13.850 -6.918 1.00 0.00 H new ATOM 0 HA VAL A 95 3.910 12.476 -4.634 1.00 0.00 H new ATOM 0 HB VAL A 95 6.434 12.810 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.321 14.916 -4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.377 15.192 -5.570 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.665 15.559 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.787 13.023 -2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 95 5.100 13.558 -2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.452 11.912 -2.974 1.00 0.00 H new ATOM 1535 N LYS A 96 3.421 14.828 -3.384 1.00 0.00 N ATOM 1536 CA LYS A 96 2.616 15.931 -2.886 1.00 0.00 C ATOM 1537 C LYS A 96 2.811 16.057 -1.374 1.00 0.00 C ATOM 1538 O LYS A 96 2.969 17.162 -0.856 1.00 0.00 O ATOM 1539 CB LYS A 96 1.155 15.760 -3.307 1.00 0.00 C ATOM 1540 CG LYS A 96 0.595 14.424 -2.812 1.00 0.00 C ATOM 1541 CD LYS A 96 -0.286 14.622 -1.577 1.00 0.00 C ATOM 1542 CE LYS A 96 -0.830 13.284 -1.071 1.00 0.00 C ATOM 1543 NZ LYS A 96 -2.104 12.955 -1.748 1.00 0.00 N ATOM 0 H LYS A 96 3.911 14.299 -2.663 1.00 0.00 H new ATOM 0 HA LYS A 96 2.943 16.872 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.559 16.580 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.077 15.811 -4.393 1.00 0.00 H new ATOM 0 HG2 LYS A 96 0.015 13.953 -3.605 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.416 13.748 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.290 15.106 -0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.115 15.287 -1.820 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.100 12.495 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.985 13.332 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -2.460 12.044 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.803 13.700 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.945 12.889 -2.774 1.00 0.00 H new ATOM 1557 N ALA A 97 2.793 14.911 -0.709 1.00 0.00 N ATOM 1558 CA ALA A 97 2.965 14.881 0.733 1.00 0.00 C ATOM 1559 C ALA A 97 4.370 14.369 1.064 1.00 0.00 C ATOM 1560 O ALA A 97 4.606 13.162 1.081 1.00 0.00 O ATOM 1561 CB ALA A 97 1.868 14.018 1.361 1.00 0.00 C ATOM 0 H ALA A 97 2.662 13.997 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 97 2.871 15.883 1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 97 1.997 13.996 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.892 14.439 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.933 13.004 0.967 1.00 0.00 H new ATOM 1567 N SER A 98 5.263 15.314 1.318 1.00 0.00 N ATOM 1568 CA SER A 98 6.637 14.975 1.648 1.00 0.00 C ATOM 1569 C SER A 98 7.414 16.238 2.022 1.00 0.00 C ATOM 1570 O SER A 98 6.893 17.347 1.910 1.00 0.00 O ATOM 1571 CB SER A 98 7.321 14.257 0.483 1.00 0.00 C ATOM 1572 OG SER A 98 7.251 15.011 -0.725 1.00 0.00 O ATOM 0 H SER A 98 5.062 16.314 1.302 1.00 0.00 H new ATOM 0 HA SER A 98 6.626 14.298 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.365 14.072 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.852 13.285 0.331 1.00 0.00 H new ATOM 0 HG SER A 98 7.832 14.602 -1.400 1.00 0.00 H new ATOM 1578 N GLY A 99 8.648 16.028 2.458 1.00 0.00 N ATOM 1579 CA GLY A 99 9.501 17.138 2.849 1.00 0.00 C ATOM 1580 C GLY A 99 10.586 16.678 3.824 1.00 0.00 C ATOM 1581 O GLY A 99 11.478 15.918 3.451 1.00 0.00 O ATOM 0 H GLY A 99 9.077 15.107 2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.964 17.575 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.898 17.919 3.312 1.00 0.00 H new ATOM 1585 N TYR A 100 10.473 17.156 5.055 1.00 0.00 N ATOM 1586 CA TYR A 100 11.435 16.803 6.086 1.00 0.00 C ATOM 1587 C TYR A 100 10.745 16.119 7.267 1.00 0.00 C ATOM 1588 O TYR A 100 10.475 14.919 7.224 1.00 0.00 O ATOM 1589 CB TYR A 100 12.046 18.122 6.562 1.00 0.00 C ATOM 1590 CG TYR A 100 11.517 19.355 5.826 1.00 0.00 C ATOM 1591 CD1 TYR A 100 11.638 19.446 4.454 1.00 0.00 C ATOM 1592 CD2 TYR A 100 10.918 20.377 6.534 1.00 0.00 C ATOM 1593 CE1 TYR A 100 11.140 20.605 3.762 1.00 0.00 C ATOM 1594 CE2 TYR A 100 10.421 21.538 5.842 1.00 0.00 C ATOM 1595 CZ TYR A 100 10.556 21.594 4.490 1.00 0.00 C ATOM 1596 OH TYR A 100 10.086 22.689 3.836 1.00 0.00 O ATOM 0 H TYR A 100 9.730 17.784 5.362 1.00 0.00 H new ATOM 0 HA TYR A 100 12.183 16.114 5.694 1.00 0.00 H new ATOM 0 HB2 TYR A 100 11.851 18.237 7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 100 13.128 18.075 6.439 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.107 18.647 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 100 10.822 20.306 7.607 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.228 20.688 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 100 9.952 22.346 6.384 1.00 0.00 H new ATOM 0 HH TYR A 100 9.694 23.313 4.482 1.00 0.00 H new TER 1606 TYR A 100