USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 821 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 100 LYS NZ :NH3+ 172:sc= 0.0039 (180deg=0) USER MOD Set 1.2: A 102 SER OG : rot 150:sc= -1.24 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -4.99! C(o=-5.8!,f=-7.8!) USER MOD Set 2.2: A 56 ASN : amide:sc= -0.802 K(o=-5.8,f=-8.2) USER MOD Set 3.1: A 19 THR OG1 : rot 21:sc= -0.369 USER MOD Set 3.2: A 31 ASN : amide:sc= -3.51! C(o=-3.9!,f=-8.6!) USER MOD Set 4.1: A 22 LYS NZ :NH3+ -149:sc= 0.918 (180deg=0) USER MOD Set 4.2: A 33 HIS : no HE2:sc= -8.93! C(o=-8!,f=-25!) USER MOD Set 5.1: A 16 GLN :FLIP amide:sc= -0.528 F(o=-4.5,f=-3.6) USER MOD Set 5.2: A 17 CYS SG : rot 180:sc= -3.06! USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= -0.0338 (180deg=-0.286) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -156:sc= 0.0567 USER MOD Single : A 18 HIS : no HE2:sc= -4.08! C(o=-4.1!,f=-11!) USER MOD Single : A 26 HIS : no HD1:sc= -1.95 K(o=-2,f=-2.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -14:sc= 0.602! USER MOD Single : A 42 GLN : amide:sc= -2.94! C(o=-2.9!,f=-7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0501 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00687 USER MOD Single : A 52 ASN : amide:sc= -1.9 K(o=-1.9,f=-7.4!) USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0012) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 ASN : amide:sc= -2.27! C(o=-2.3!,f=-10!) USER MOD Single : A 64 MET CE :methyl 177:sc= -10.8! (180deg=-11!) USER MOD Single : A 65 SER OG : rot -56:sc= 1.17 USER MOD Single : A 67 TYR OH : rot 69:sc= 1.29 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -3.86! C(o=-3.9!,f=-6.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0814 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 151:sc= -0.335 (180deg=-0.67) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.054) USER MOD Single : A 92 ASN : amide:sc= -0.0643 K(o=-0.064,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot -150:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A -3 4.831 -16.963 -6.593 1.00 0.00 N ATOM 31 CA PHE A -3 3.998 -16.480 -5.505 1.00 0.00 C ATOM 32 C PHE A -3 2.800 -17.405 -5.279 1.00 0.00 C ATOM 33 O PHE A -3 1.987 -17.605 -6.180 1.00 0.00 O ATOM 34 CB PHE A -3 3.488 -15.096 -5.912 1.00 0.00 C ATOM 35 CG PHE A -3 2.117 -14.742 -5.332 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.008 -14.350 -4.035 1.00 0.00 C ATOM 37 CD2 PHE A -3 1.007 -14.821 -6.115 1.00 0.00 C ATOM 38 CE1 PHE A -3 0.735 -14.021 -3.497 1.00 0.00 C ATOM 39 CE2 PHE A -3 -0.265 -14.493 -5.577 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.374 -14.100 -4.280 1.00 0.00 C ATOM 0 H1 PHE A -3 5.636 -16.319 -6.726 1.00 0.00 H new ATOM 0 H2 PHE A -3 5.183 -17.915 -6.365 1.00 0.00 H new ATOM 0 H3 PHE A -3 4.271 -17.002 -7.468 1.00 0.00 H new ATOM 0 HA PHE A -3 4.576 -16.446 -4.582 1.00 0.00 H new ATOM 0 HB2 PHE A -3 4.211 -14.345 -5.593 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.435 -15.045 -7.000 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.889 -14.289 -3.414 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.094 -15.133 -7.145 1.00 0.00 H new ATOM 0 HE1 PHE A -3 0.648 -13.708 -2.467 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -1.146 -14.556 -6.198 1.00 0.00 H new ATOM 0 HZ PHE A -3 -1.342 -13.850 -3.871 1.00 0.00 H new ATOM 50 N LYS A -2 2.730 -17.944 -4.071 1.00 0.00 N ATOM 51 CA LYS A -2 1.645 -18.844 -3.715 1.00 0.00 C ATOM 52 C LYS A -2 0.414 -18.022 -3.327 1.00 0.00 C ATOM 53 O LYS A -2 0.510 -17.094 -2.526 1.00 0.00 O ATOM 54 CB LYS A -2 2.096 -19.824 -2.630 1.00 0.00 C ATOM 55 CG LYS A -2 1.684 -21.256 -2.980 1.00 0.00 C ATOM 56 CD LYS A -2 0.378 -21.637 -2.279 1.00 0.00 C ATOM 57 CE LYS A -2 -0.448 -22.592 -3.142 1.00 0.00 C ATOM 58 NZ LYS A -2 -0.435 -23.955 -2.565 1.00 0.00 N ATOM 0 H LYS A -2 3.406 -17.775 -3.326 1.00 0.00 H new ATOM 0 HA LYS A -2 1.363 -19.458 -4.570 1.00 0.00 H new ATOM 0 HB2 LYS A -2 3.179 -19.771 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.659 -19.539 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A -2 1.563 -21.350 -4.059 1.00 0.00 H new ATOM 0 HG3 LYS A -2 2.474 -21.948 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A -2 0.599 -22.106 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -0.201 -20.738 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -1.474 -22.231 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -0.046 -22.616 -4.155 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -1.000 -24.591 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 0.544 -24.303 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -0.839 -23.930 -1.607 1.00 0.00 H new ATOM 72 N ALA A -1 -0.714 -18.394 -3.914 1.00 0.00 N ATOM 73 CA ALA A -1 -1.963 -17.703 -3.640 1.00 0.00 C ATOM 74 C ALA A -1 -2.569 -18.249 -2.346 1.00 0.00 C ATOM 75 O ALA A -1 -2.297 -19.384 -1.959 1.00 0.00 O ATOM 76 CB ALA A -1 -2.905 -17.857 -4.836 1.00 0.00 C ATOM 0 H ALA A -1 -0.789 -19.165 -4.578 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.789 -16.636 -3.498 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.842 -17.339 -4.630 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.440 -17.428 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -3.106 -18.915 -5.007 1.00 0.00 H new ATOM 82 N GLY A 1 -3.380 -17.414 -1.712 1.00 0.00 N ATOM 83 CA GLY A 1 -4.027 -17.799 -0.469 1.00 0.00 C ATOM 84 C GLY A 1 -5.529 -18.008 -0.675 1.00 0.00 C ATOM 85 O GLY A 1 -6.160 -18.764 0.062 1.00 0.00 O ATOM 0 H GLY A 1 -3.604 -16.473 -2.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.577 -18.716 -0.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.863 -17.028 0.284 1.00 0.00 H new ATOM 89 N SER A 2 -6.057 -17.326 -1.680 1.00 0.00 N ATOM 90 CA SER A 2 -7.472 -17.428 -1.992 1.00 0.00 C ATOM 91 C SER A 2 -8.268 -16.434 -1.144 1.00 0.00 C ATOM 92 O SER A 2 -8.762 -15.431 -1.656 1.00 0.00 O ATOM 93 CB SER A 2 -7.985 -18.851 -1.764 1.00 0.00 C ATOM 94 OG SER A 2 -8.950 -19.234 -2.740 1.00 0.00 O ATOM 0 H SER A 2 -5.530 -16.700 -2.289 1.00 0.00 H new ATOM 0 HA SER A 2 -7.608 -17.187 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.147 -19.547 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.427 -18.922 -0.770 1.00 0.00 H new ATOM 0 HG SER A 2 -9.251 -20.149 -2.561 1.00 0.00 H new ATOM 100 N ALA A 3 -8.368 -16.747 0.140 1.00 0.00 N ATOM 101 CA ALA A 3 -9.095 -15.894 1.064 1.00 0.00 C ATOM 102 C ALA A 3 -9.040 -16.505 2.466 1.00 0.00 C ATOM 103 O ALA A 3 -8.288 -17.448 2.707 1.00 0.00 O ATOM 104 CB ALA A 3 -10.529 -15.708 0.566 1.00 0.00 C ATOM 0 H ALA A 3 -7.957 -17.580 0.562 1.00 0.00 H new ATOM 0 HA ALA A 3 -8.637 -14.906 1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.075 -15.068 1.259 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.514 -15.245 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.021 -16.678 0.504 1.00 0.00 H new ATOM 110 N LYS A 4 -9.846 -15.942 3.354 1.00 0.00 N ATOM 111 CA LYS A 4 -9.898 -16.419 4.725 1.00 0.00 C ATOM 112 C LYS A 4 -8.487 -16.417 5.316 1.00 0.00 C ATOM 113 O LYS A 4 -8.045 -17.416 5.880 1.00 0.00 O ATOM 114 CB LYS A 4 -10.591 -17.782 4.792 1.00 0.00 C ATOM 115 CG LYS A 4 -12.010 -17.649 5.350 1.00 0.00 C ATOM 116 CD LYS A 4 -12.970 -17.118 4.284 1.00 0.00 C ATOM 117 CE LYS A 4 -13.368 -18.223 3.304 1.00 0.00 C ATOM 118 NZ LYS A 4 -13.991 -17.644 2.093 1.00 0.00 N ATOM 0 H LYS A 4 -10.468 -15.160 3.151 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.501 -15.750 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.628 -18.225 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.011 -18.458 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.357 -18.619 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.006 -16.977 6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.862 -16.713 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.499 -16.298 3.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.489 -18.804 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.064 -18.910 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.255 -18.408 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.842 -17.109 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.315 -17.007 1.626 1.00 0.00 H new ATOM 132 N LYS A 5 -7.819 -15.283 5.165 1.00 0.00 N ATOM 133 CA LYS A 5 -6.466 -15.137 5.677 1.00 0.00 C ATOM 134 C LYS A 5 -5.990 -13.702 5.445 1.00 0.00 C ATOM 135 O LYS A 5 -5.330 -13.117 6.303 1.00 0.00 O ATOM 136 CB LYS A 5 -5.546 -16.196 5.067 1.00 0.00 C ATOM 137 CG LYS A 5 -4.519 -16.685 6.090 1.00 0.00 C ATOM 138 CD LYS A 5 -5.177 -17.576 7.145 1.00 0.00 C ATOM 139 CE LYS A 5 -4.325 -17.644 8.414 1.00 0.00 C ATOM 140 NZ LYS A 5 -3.092 -18.424 8.169 1.00 0.00 N ATOM 0 H LYS A 5 -8.189 -14.456 4.696 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.445 -15.310 6.753 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.140 -17.038 4.712 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.032 -15.781 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.730 -17.239 5.582 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.047 -15.830 6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.167 -17.189 7.387 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.317 -18.579 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.066 -16.637 8.740 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.898 -18.102 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.525 -18.460 9.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.344 -19.391 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.538 -17.970 7.415 1.00 0.00 H new ATOM 154 N GLY A 6 -6.343 -13.175 4.282 1.00 0.00 N ATOM 155 CA GLY A 6 -5.960 -11.820 3.927 1.00 0.00 C ATOM 156 C GLY A 6 -7.028 -10.815 4.364 1.00 0.00 C ATOM 157 O GLY A 6 -6.709 -9.690 4.743 1.00 0.00 O ATOM 0 H GLY A 6 -6.891 -13.663 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.008 -11.572 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -5.810 -11.751 2.850 1.00 0.00 H new ATOM 161 N ALA A 7 -8.275 -11.260 4.297 1.00 0.00 N ATOM 162 CA ALA A 7 -9.392 -10.414 4.681 1.00 0.00 C ATOM 163 C ALA A 7 -9.194 -9.938 6.121 1.00 0.00 C ATOM 164 O ALA A 7 -9.087 -8.739 6.374 1.00 0.00 O ATOM 165 CB ALA A 7 -10.702 -11.183 4.496 1.00 0.00 C ATOM 0 H ALA A 7 -8.536 -12.195 3.983 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.440 -9.530 4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.540 -10.548 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.809 -11.473 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.691 -12.076 5.121 1.00 0.00 H new ATOM 171 N THR A 8 -9.152 -10.902 7.029 1.00 0.00 N ATOM 172 CA THR A 8 -8.969 -10.597 8.438 1.00 0.00 C ATOM 173 C THR A 8 -7.723 -9.732 8.638 1.00 0.00 C ATOM 174 O THR A 8 -7.609 -9.023 9.637 1.00 0.00 O ATOM 175 CB THR A 8 -8.920 -11.919 9.206 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.087 -11.889 10.023 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.765 -11.972 10.208 1.00 0.00 C ATOM 0 H THR A 8 -9.242 -11.896 6.816 1.00 0.00 H new ATOM 0 HA THR A 8 -9.801 -10.010 8.827 1.00 0.00 H new ATOM 0 HB THR A 8 -8.827 -12.745 8.501 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.135 -12.711 10.555 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.776 -12.931 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.819 -11.856 9.679 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.876 -11.166 10.934 1.00 0.00 H new ATOM 185 N LEU A 9 -6.820 -9.818 7.672 1.00 0.00 N ATOM 186 CA LEU A 9 -5.587 -9.051 7.730 1.00 0.00 C ATOM 187 C LEU A 9 -5.901 -7.570 7.512 1.00 0.00 C ATOM 188 O LEU A 9 -5.976 -6.800 8.468 1.00 0.00 O ATOM 189 CB LEU A 9 -4.560 -9.614 6.745 1.00 0.00 C ATOM 190 CG LEU A 9 -3.160 -9.867 7.308 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.715 -11.307 7.045 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.157 -8.848 6.762 1.00 0.00 C ATOM 0 H LEU A 9 -6.918 -10.407 6.845 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.130 -9.138 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.945 -10.553 6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.473 -8.923 5.906 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.198 -9.734 8.389 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.717 -11.460 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.413 -11.996 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.698 -11.492 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.170 -9.050 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.116 -8.924 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.470 -7.843 7.043 1.00 0.00 H new ATOM 204 N PHE A 10 -6.077 -7.215 6.247 1.00 0.00 N ATOM 205 CA PHE A 10 -6.381 -5.840 5.891 1.00 0.00 C ATOM 206 C PHE A 10 -7.337 -5.210 6.905 1.00 0.00 C ATOM 207 O PHE A 10 -7.135 -4.074 7.332 1.00 0.00 O ATOM 208 CB PHE A 10 -7.060 -5.873 4.520 1.00 0.00 C ATOM 209 CG PHE A 10 -7.289 -4.491 3.906 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.246 -3.803 3.370 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.537 -3.949 3.896 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.459 -2.520 2.800 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.750 -2.666 3.326 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.706 -1.979 2.790 1.00 0.00 C ATOM 0 H PHE A 10 -6.015 -7.856 5.456 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.466 -5.248 5.878 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.450 -6.466 3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.020 -6.381 4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.255 -4.232 3.378 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.366 -4.495 4.322 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.630 -1.974 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.741 -2.236 3.318 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.868 -1.003 2.356 1.00 0.00 H new ATOM 224 N LYS A 11 -8.358 -5.975 7.263 1.00 0.00 N ATOM 225 CA LYS A 11 -9.346 -5.505 8.219 1.00 0.00 C ATOM 226 C LYS A 11 -8.643 -4.723 9.330 1.00 0.00 C ATOM 227 O LYS A 11 -9.183 -3.743 9.842 1.00 0.00 O ATOM 228 CB LYS A 11 -10.193 -6.672 8.731 1.00 0.00 C ATOM 229 CG LYS A 11 -11.141 -6.216 9.842 1.00 0.00 C ATOM 230 CD LYS A 11 -12.551 -5.979 9.297 1.00 0.00 C ATOM 231 CE LYS A 11 -13.254 -7.305 8.999 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.582 -8.012 10.258 1.00 0.00 N ATOM 0 H LYS A 11 -8.522 -6.917 6.908 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.045 -4.820 7.739 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.769 -7.096 7.908 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.542 -7.462 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.173 -6.969 10.629 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.763 -5.299 10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.133 -5.409 10.021 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.497 -5.379 8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.165 -7.120 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.613 -7.932 8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.320 -8.722 10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.730 -8.484 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.927 -7.327 10.961 1.00 0.00 H new ATOM 246 N THR A 12 -7.448 -5.185 9.670 1.00 0.00 N ATOM 247 CA THR A 12 -6.666 -4.540 10.711 1.00 0.00 C ATOM 248 C THR A 12 -5.251 -4.244 10.208 1.00 0.00 C ATOM 249 O THR A 12 -4.728 -4.961 9.357 1.00 0.00 O ATOM 250 CB THR A 12 -6.695 -5.438 11.949 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.174 -6.682 11.489 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.119 -5.774 12.396 1.00 0.00 C ATOM 0 H THR A 12 -7.003 -5.998 9.243 1.00 0.00 H new ATOM 0 HA THR A 12 -7.090 -3.573 10.983 1.00 0.00 H new ATOM 0 HB THR A 12 -6.164 -4.947 12.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.156 -7.323 12.230 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.082 -6.413 13.278 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.651 -4.854 12.637 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.639 -6.295 11.592 1.00 0.00 H new ATOM 260 N ARG A 13 -4.672 -3.186 10.757 1.00 0.00 N ATOM 261 CA ARG A 13 -3.329 -2.786 10.375 1.00 0.00 C ATOM 262 C ARG A 13 -3.347 -2.107 9.004 1.00 0.00 C ATOM 263 O ARG A 13 -2.294 -1.843 8.424 1.00 0.00 O ATOM 264 CB ARG A 13 -2.388 -3.992 10.327 1.00 0.00 C ATOM 265 CG ARG A 13 -2.581 -4.886 11.553 1.00 0.00 C ATOM 266 CD ARG A 13 -1.716 -4.409 12.721 1.00 0.00 C ATOM 267 NE ARG A 13 -1.211 -5.572 13.485 1.00 0.00 N ATOM 268 CZ ARG A 13 -1.890 -6.176 14.470 1.00 0.00 C ATOM 269 NH1 ARG A 13 -3.106 -5.732 14.816 1.00 0.00 N ATOM 270 NH2 ARG A 13 -1.354 -7.225 15.108 1.00 0.00 N ATOM 0 H ARG A 13 -5.109 -2.594 11.463 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.965 -2.085 11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.574 -4.567 9.420 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.354 -3.650 10.281 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.630 -4.883 11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.323 -5.915 11.301 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.880 -3.818 12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.299 -3.759 13.374 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.289 -5.936 13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.515 -4.934 14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.623 -6.192 15.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.429 -7.564 14.844 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.871 -7.685 15.858 1.00 0.00 H new ATOM 284 N CYS A 14 -4.554 -1.844 8.525 1.00 0.00 N ATOM 285 CA CYS A 14 -4.723 -1.201 7.233 1.00 0.00 C ATOM 286 C CYS A 14 -5.860 -0.184 7.347 1.00 0.00 C ATOM 287 O CYS A 14 -5.635 1.020 7.235 1.00 0.00 O ATOM 288 CB CYS A 14 -4.979 -2.221 6.122 1.00 0.00 C ATOM 289 SG CYS A 14 -3.554 -2.524 5.015 1.00 0.00 S ATOM 0 H CYS A 14 -5.425 -2.065 9.009 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.803 -0.686 6.958 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.275 -3.166 6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.822 -1.879 5.521 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.980 -2.973 3.872 1.00 0.00 H new ATOM 294 N LEU A 15 -7.058 -0.706 7.569 1.00 0.00 N ATOM 295 CA LEU A 15 -8.231 0.141 7.700 1.00 0.00 C ATOM 296 C LEU A 15 -7.891 1.343 8.584 1.00 0.00 C ATOM 297 O LEU A 15 -8.345 2.456 8.325 1.00 0.00 O ATOM 298 CB LEU A 15 -9.426 -0.672 8.202 1.00 0.00 C ATOM 299 CG LEU A 15 -10.456 -1.073 7.144 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.772 -1.653 5.904 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.496 -2.032 7.726 1.00 0.00 C ATOM 0 H LEU A 15 -7.241 -1.705 7.661 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.527 0.533 6.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.050 -1.578 8.676 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.934 -0.095 8.975 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.987 -0.175 6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.527 -1.930 5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.103 -0.907 5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.198 -2.536 6.185 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.216 -2.301 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.999 -2.932 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.015 -1.547 8.553 1.00 0.00 H new ATOM 313 N GLN A 16 -7.095 1.077 9.609 1.00 0.00 N ATOM 314 CA GLN A 16 -6.688 2.123 10.532 1.00 0.00 C ATOM 315 C GLN A 16 -6.246 3.369 9.762 1.00 0.00 C ATOM 316 O GLN A 16 -6.305 4.480 10.286 1.00 0.00 O ATOM 317 CB GLN A 16 -5.578 1.631 11.463 1.00 0.00 C ATOM 318 CG GLN A 16 -4.366 1.150 10.664 1.00 0.00 C ATOM 319 CD GLN A 16 -3.136 1.011 11.564 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.132 -0.091 12.309 1.00 0.00 O flip ATOM 321 NE2 GLN A 16 -2.249 1.849 11.581 1.00 0.00 N flip ATOM 0 H GLN A 16 -6.721 0.152 9.821 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.545 2.388 11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.279 2.435 12.135 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.954 0.819 12.085 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.591 0.190 10.198 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.154 1.853 9.859 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.314 2.673 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.442 1.726 12.193 1.00 0.00 H new ATOM 330 N CYS A 17 -5.814 3.141 8.530 1.00 0.00 N ATOM 331 CA CYS A 17 -5.363 4.232 7.682 1.00 0.00 C ATOM 332 C CYS A 17 -6.243 4.264 6.432 1.00 0.00 C ATOM 333 O CYS A 17 -6.963 5.195 6.057 1.00 0.00 O ATOM 334 CB CYS A 17 -3.879 4.099 7.332 1.00 0.00 C ATOM 335 SG CYS A 17 -2.740 4.224 8.759 1.00 0.00 S ATOM 0 H CYS A 17 -5.767 2.218 8.099 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.460 5.177 8.217 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.720 3.139 6.842 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.620 4.873 6.609 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.513 4.095 8.348 1.00 0.00 H new ATOM 340 N HIS A 18 -6.208 3.118 5.663 1.00 0.00 N ATOM 341 CA HIS A 18 -6.677 3.061 4.264 1.00 0.00 C ATOM 342 C HIS A 18 -8.067 2.473 4.072 1.00 0.00 C ATOM 343 O HIS A 18 -8.593 1.667 4.839 1.00 0.00 O ATOM 344 CB HIS A 18 -5.779 2.131 3.436 1.00 0.00 C ATOM 345 CG HIS A 18 -4.314 2.417 3.243 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.853 3.314 2.347 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.206 1.834 3.826 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.604 3.338 2.398 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.112 2.409 3.273 1.00 0.00 N ATOM 0 H HIS A 18 -5.854 2.227 6.010 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.665 4.106 3.955 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.852 1.140 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.222 2.065 2.442 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.431 3.882 1.727 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.211 1.063 4.582 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.988 4.011 1.821 1.00 0.00 H new ATOM 357 N THR A 19 -8.641 2.952 2.978 1.00 0.00 N ATOM 358 CA THR A 19 -9.982 2.542 2.596 1.00 0.00 C ATOM 359 C THR A 19 -9.978 1.961 1.181 1.00 0.00 C ATOM 360 O THR A 19 -10.094 2.698 0.203 1.00 0.00 O ATOM 361 CB THR A 19 -10.908 3.750 2.755 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.571 4.593 1.657 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.569 4.590 3.988 1.00 0.00 C ATOM 0 H THR A 19 -8.202 3.620 2.344 1.00 0.00 H new ATOM 0 HA THR A 19 -10.351 1.744 3.240 1.00 0.00 H new ATOM 0 HB THR A 19 -11.941 3.409 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.127 4.063 0.962 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.256 5.434 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.662 3.976 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.547 4.960 3.907 1.00 0.00 H new ATOM 371 N VAL A 20 -9.844 0.645 1.116 1.00 0.00 N ATOM 372 CA VAL A 20 -9.824 -0.044 -0.163 1.00 0.00 C ATOM 373 C VAL A 20 -11.068 0.342 -0.965 1.00 0.00 C ATOM 374 O VAL A 20 -11.009 0.468 -2.187 1.00 0.00 O ATOM 375 CB VAL A 20 -9.699 -1.553 0.057 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.866 -2.084 0.891 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.596 -2.295 -1.277 1.00 0.00 C ATOM 0 H VAL A 20 -9.748 0.037 1.929 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.954 0.259 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.780 -1.735 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.753 -3.159 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.874 -1.589 1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.804 -1.883 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.508 -3.366 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.489 -2.101 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.717 -1.947 -1.820 1.00 0.00 H new ATOM 387 N GLU A 21 -12.165 0.520 -0.244 1.00 0.00 N ATOM 388 CA GLU A 21 -13.422 0.890 -0.873 1.00 0.00 C ATOM 389 C GLU A 21 -13.176 1.897 -1.999 1.00 0.00 C ATOM 390 O GLU A 21 -12.137 2.554 -2.033 1.00 0.00 O ATOM 391 CB GLU A 21 -14.407 1.447 0.156 1.00 0.00 C ATOM 392 CG GLU A 21 -13.668 2.115 1.317 1.00 0.00 C ATOM 393 CD GLU A 21 -14.569 3.122 2.035 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.790 2.855 2.085 1.00 0.00 O ATOM 395 OE2 GLU A 21 -14.018 4.135 2.516 1.00 0.00 O ATOM 0 H GLU A 21 -12.210 0.415 0.770 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.867 -0.006 -1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -15.068 2.169 -0.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.036 0.642 0.536 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.331 1.356 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.778 2.621 0.943 1.00 0.00 H new ATOM 402 N LYS A 22 -14.150 1.986 -2.893 1.00 0.00 N ATOM 403 CA LYS A 22 -14.052 2.902 -4.017 1.00 0.00 C ATOM 404 C LYS A 22 -14.061 4.341 -3.499 1.00 0.00 C ATOM 405 O LYS A 22 -13.017 4.989 -3.438 1.00 0.00 O ATOM 406 CB LYS A 22 -15.150 2.611 -5.042 1.00 0.00 C ATOM 407 CG LYS A 22 -14.776 3.165 -6.418 1.00 0.00 C ATOM 408 CD LYS A 22 -15.720 2.633 -7.499 1.00 0.00 C ATOM 409 CE LYS A 22 -15.476 1.145 -7.756 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.643 0.958 -8.964 1.00 0.00 N ATOM 0 H LYS A 22 -15.010 1.439 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.109 2.758 -4.544 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.312 1.535 -5.111 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.089 3.054 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.817 4.254 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.749 2.888 -6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.754 2.788 -7.192 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.574 3.194 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.982 0.697 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.429 0.630 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.898 0.062 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.805 1.746 -9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.639 0.934 -8.693 1.00 0.00 H new ATOM 424 N GLY A 23 -15.250 4.799 -3.138 1.00 0.00 N ATOM 425 CA GLY A 23 -15.408 6.150 -2.626 1.00 0.00 C ATOM 426 C GLY A 23 -14.885 6.259 -1.193 1.00 0.00 C ATOM 427 O GLY A 23 -15.609 6.684 -0.294 1.00 0.00 O ATOM 0 H GLY A 23 -16.114 4.259 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.872 6.850 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.460 6.433 -2.655 1.00 0.00 H new ATOM 431 N GLY A 24 -13.630 5.867 -1.024 1.00 0.00 N ATOM 432 CA GLY A 24 -13.001 5.915 0.285 1.00 0.00 C ATOM 433 C GLY A 24 -12.302 7.257 0.508 1.00 0.00 C ATOM 434 O GLY A 24 -11.418 7.636 -0.259 1.00 0.00 O ATOM 0 H GLY A 24 -13.032 5.515 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.752 5.759 1.059 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.278 5.105 0.375 1.00 0.00 H new ATOM 438 N PRO A 25 -12.735 7.957 1.591 1.00 0.00 N ATOM 439 CA PRO A 25 -12.160 9.249 1.925 1.00 0.00 C ATOM 440 C PRO A 25 -10.769 9.088 2.542 1.00 0.00 C ATOM 441 O PRO A 25 -10.640 8.642 3.681 1.00 0.00 O ATOM 442 CB PRO A 25 -13.160 9.891 2.873 1.00 0.00 C ATOM 443 CG PRO A 25 -14.023 8.757 3.399 1.00 0.00 C ATOM 444 CD PRO A 25 -13.779 7.540 2.522 1.00 0.00 C ATOM 0 HA PRO A 25 -12.001 9.878 1.049 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.651 10.405 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.766 10.635 2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.772 8.536 4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.076 9.037 3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.461 6.682 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.686 7.244 1.994 1.00 0.00 H new ATOM 452 N HIS A 26 -9.764 9.459 1.763 1.00 0.00 N ATOM 453 CA HIS A 26 -8.388 9.360 2.219 1.00 0.00 C ATOM 454 C HIS A 26 -8.306 9.760 3.693 1.00 0.00 C ATOM 455 O HIS A 26 -8.862 10.781 4.095 1.00 0.00 O ATOM 456 CB HIS A 26 -7.460 10.188 1.327 1.00 0.00 C ATOM 457 CG HIS A 26 -7.751 10.060 -0.149 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.517 8.896 -0.861 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.259 10.960 -1.038 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.872 9.099 -2.121 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.331 10.379 -2.229 1.00 0.00 N ATOM 0 H HIS A 26 -9.875 9.829 0.819 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.048 8.328 2.139 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.539 11.237 1.613 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.430 9.884 1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.553 11.974 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.809 8.378 -2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.673 10.817 -3.084 1.00 0.00 H new ATOM 469 N LYS A 27 -7.608 8.935 4.459 1.00 0.00 N ATOM 470 CA LYS A 27 -7.446 9.190 5.880 1.00 0.00 C ATOM 471 C LYS A 27 -5.964 9.418 6.188 1.00 0.00 C ATOM 472 O LYS A 27 -5.435 10.501 5.940 1.00 0.00 O ATOM 473 CB LYS A 27 -8.078 8.064 6.702 1.00 0.00 C ATOM 474 CG LYS A 27 -9.544 8.369 7.013 1.00 0.00 C ATOM 475 CD LYS A 27 -10.303 7.093 7.382 1.00 0.00 C ATOM 476 CE LYS A 27 -11.810 7.351 7.445 1.00 0.00 C ATOM 477 NZ LYS A 27 -12.159 8.086 8.681 1.00 0.00 N ATOM 0 H LYS A 27 -7.148 8.089 4.122 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.975 10.099 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.007 7.125 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.525 7.933 7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.604 9.083 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.013 8.838 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.094 6.316 6.647 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.953 6.723 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.123 7.925 6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.349 6.404 7.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.185 8.253 8.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.878 7.524 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.660 8.998 8.695 1.00 0.00 H new ATOM 491 N VAL A 28 -5.337 8.381 6.723 1.00 0.00 N ATOM 492 CA VAL A 28 -3.927 8.456 7.066 1.00 0.00 C ATOM 493 C VAL A 28 -3.088 8.294 5.797 1.00 0.00 C ATOM 494 O VAL A 28 -1.963 8.785 5.726 1.00 0.00 O ATOM 495 CB VAL A 28 -3.595 7.417 8.139 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.083 7.307 8.346 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.307 7.740 9.454 1.00 0.00 C ATOM 0 H VAL A 28 -5.779 7.485 6.927 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.688 9.431 7.491 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.957 6.449 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.874 6.562 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.609 7.008 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.688 8.273 8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.054 6.986 10.199 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.990 8.721 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.385 7.743 9.293 1.00 0.00 H new ATOM 507 N GLY A 29 -3.669 7.604 4.826 1.00 0.00 N ATOM 508 CA GLY A 29 -2.989 7.371 3.563 1.00 0.00 C ATOM 509 C GLY A 29 -3.971 7.434 2.392 1.00 0.00 C ATOM 510 O GLY A 29 -5.160 7.681 2.587 1.00 0.00 O ATOM 0 H GLY A 29 -4.603 7.199 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.205 8.116 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.503 6.396 3.582 1.00 0.00 H new ATOM 514 N PRO A 30 -3.423 7.201 1.169 1.00 0.00 N ATOM 515 CA PRO A 30 -4.237 7.229 -0.034 1.00 0.00 C ATOM 516 C PRO A 30 -5.100 5.970 -0.141 1.00 0.00 C ATOM 517 O PRO A 30 -4.879 4.998 0.580 1.00 0.00 O ATOM 518 CB PRO A 30 -3.245 7.369 -1.177 1.00 0.00 C ATOM 519 CG PRO A 30 -1.898 6.948 -0.614 1.00 0.00 C ATOM 520 CD PRO A 30 -2.018 6.905 0.901 1.00 0.00 C ATOM 0 HA PRO A 30 -4.950 8.053 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.530 6.740 -2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.212 8.396 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.611 5.971 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.122 7.651 -0.916 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.737 5.927 1.293 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.362 7.638 1.371 1.00 0.00 H new ATOM 528 N ASN A 31 -6.064 6.028 -1.048 1.00 0.00 N ATOM 529 CA ASN A 31 -6.961 4.904 -1.259 1.00 0.00 C ATOM 530 C ASN A 31 -6.178 3.742 -1.874 1.00 0.00 C ATOM 531 O ASN A 31 -5.144 3.950 -2.506 1.00 0.00 O ATOM 532 CB ASN A 31 -8.091 5.275 -2.222 1.00 0.00 C ATOM 533 CG ASN A 31 -9.458 5.051 -1.575 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.933 5.842 -0.776 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.063 3.931 -1.962 1.00 0.00 N ATOM 0 H ASN A 31 -6.244 6.835 -1.645 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.386 4.625 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.992 6.319 -2.519 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.012 4.676 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.980 3.691 -1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.610 3.313 -2.635 1.00 0.00 H new ATOM 542 N LEU A 32 -6.702 2.542 -1.666 1.00 0.00 N ATOM 543 CA LEU A 32 -6.066 1.347 -2.191 1.00 0.00 C ATOM 544 C LEU A 32 -7.092 0.534 -2.984 1.00 0.00 C ATOM 545 O LEU A 32 -7.220 -0.673 -2.786 1.00 0.00 O ATOM 546 CB LEU A 32 -5.394 0.558 -1.065 1.00 0.00 C ATOM 547 CG LEU A 32 -4.359 1.321 -0.237 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.914 0.501 0.976 1.00 0.00 C ATOM 549 CD2 LEU A 32 -3.174 1.753 -1.103 1.00 0.00 C ATOM 0 H LEU A 32 -7.560 2.373 -1.141 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.267 1.614 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.169 0.191 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.909 -0.316 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.828 2.229 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.178 1.067 1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.777 0.287 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.470 -0.436 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.453 2.293 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.697 0.872 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.527 2.402 -1.905 1.00 0.00 H new ATOM 561 N HIS A 33 -7.798 1.229 -3.864 1.00 0.00 N ATOM 562 CA HIS A 33 -8.809 0.588 -4.687 1.00 0.00 C ATOM 563 C HIS A 33 -8.157 -0.493 -5.551 1.00 0.00 C ATOM 564 O HIS A 33 -7.471 -1.375 -5.036 1.00 0.00 O ATOM 565 CB HIS A 33 -9.576 1.623 -5.511 1.00 0.00 C ATOM 566 CG HIS A 33 -10.851 1.097 -6.126 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.318 -0.186 -5.899 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.751 1.693 -6.959 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.449 -0.344 -6.572 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.715 0.821 -7.229 1.00 0.00 N ATOM 0 H HIS A 33 -7.690 2.230 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.546 0.100 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.816 2.474 -4.874 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.927 1.993 -6.305 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -10.868 -0.890 -5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.690 2.703 -7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.054 -1.238 -6.596 1.00 0.00 H new ATOM 578 N GLY A 34 -8.393 -0.389 -6.851 1.00 0.00 N ATOM 579 CA GLY A 34 -7.837 -1.346 -7.792 1.00 0.00 C ATOM 580 C GLY A 34 -6.393 -0.988 -8.150 1.00 0.00 C ATOM 581 O GLY A 34 -6.065 -0.814 -9.322 1.00 0.00 O ATOM 0 H GLY A 34 -8.962 0.344 -7.275 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.871 -2.347 -7.361 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.445 -1.367 -8.696 1.00 0.00 H new ATOM 585 N ILE A 35 -5.568 -0.889 -7.117 1.00 0.00 N ATOM 586 CA ILE A 35 -4.167 -0.555 -7.308 1.00 0.00 C ATOM 587 C ILE A 35 -3.516 -1.605 -8.210 1.00 0.00 C ATOM 588 O ILE A 35 -4.203 -2.302 -8.955 1.00 0.00 O ATOM 589 CB ILE A 35 -3.468 -0.386 -5.957 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.345 -1.728 -5.232 1.00 0.00 C ATOM 591 CG2 ILE A 35 -4.176 0.666 -5.101 1.00 0.00 C ATOM 592 CD1 ILE A 35 -4.326 -1.810 -4.060 1.00 0.00 C ATOM 0 H ILE A 35 -5.843 -1.034 -6.146 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.069 0.405 -7.814 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.456 -0.024 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.539 -2.542 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.326 -1.856 -4.868 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.659 0.766 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.167 1.624 -5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.207 0.358 -4.925 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.218 -2.774 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.114 -1.009 -3.351 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.346 -1.706 -4.431 1.00 0.00 H new ATOM 604 N PHE A 36 -2.196 -1.685 -8.114 1.00 0.00 N ATOM 605 CA PHE A 36 -1.444 -2.637 -8.913 1.00 0.00 C ATOM 606 C PHE A 36 -1.709 -2.431 -10.406 1.00 0.00 C ATOM 607 O PHE A 36 -2.835 -2.601 -10.870 1.00 0.00 O ATOM 608 CB PHE A 36 -1.923 -4.034 -8.511 1.00 0.00 C ATOM 609 CG PHE A 36 -1.247 -4.585 -7.253 1.00 0.00 C ATOM 610 CD1 PHE A 36 0.081 -4.876 -7.267 1.00 0.00 C ATOM 611 CD2 PHE A 36 -1.975 -4.784 -6.122 1.00 0.00 C ATOM 612 CE1 PHE A 36 0.708 -5.387 -6.100 1.00 0.00 C ATOM 613 CE2 PHE A 36 -1.349 -5.295 -4.955 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.020 -5.586 -4.969 1.00 0.00 C ATOM 0 H PHE A 36 -1.629 -1.106 -7.495 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.376 -2.506 -8.740 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.001 -4.005 -8.349 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.743 -4.721 -9.338 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.659 -4.719 -8.166 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.030 -4.553 -6.112 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.763 -5.618 -6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.927 -5.453 -4.057 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.457 -5.975 -4.082 1.00 0.00 H new ATOM 624 N GLY A 37 -0.651 -2.067 -11.117 1.00 0.00 N ATOM 625 CA GLY A 37 -0.755 -1.836 -12.547 1.00 0.00 C ATOM 626 C GLY A 37 -0.532 -0.359 -12.881 1.00 0.00 C ATOM 627 O GLY A 37 -0.973 0.118 -13.926 1.00 0.00 O ATOM 0 H GLY A 37 0.282 -1.927 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.020 -2.446 -13.072 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.738 -2.148 -12.899 1.00 0.00 H new ATOM 631 N ARG A 38 0.151 0.324 -11.974 1.00 0.00 N ATOM 632 CA ARG A 38 0.437 1.736 -12.159 1.00 0.00 C ATOM 633 C ARG A 38 1.773 2.097 -11.508 1.00 0.00 C ATOM 634 O ARG A 38 2.483 1.222 -11.014 1.00 0.00 O ATOM 635 CB ARG A 38 -0.668 2.605 -11.556 1.00 0.00 C ATOM 636 CG ARG A 38 -1.839 2.758 -12.528 1.00 0.00 C ATOM 637 CD ARG A 38 -1.530 3.806 -13.599 1.00 0.00 C ATOM 638 NE ARG A 38 -2.503 3.698 -14.709 1.00 0.00 N ATOM 639 CZ ARG A 38 -3.699 4.301 -14.721 1.00 0.00 C ATOM 640 NH1 ARG A 38 -4.078 5.059 -13.683 1.00 0.00 N ATOM 641 NH2 ARG A 38 -4.517 4.146 -15.771 1.00 0.00 N ATOM 0 H ARG A 38 0.515 -0.075 -11.109 1.00 0.00 H new ATOM 0 HA ARG A 38 0.489 1.926 -13.231 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.019 2.159 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.267 3.588 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.050 1.800 -13.002 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.736 3.047 -11.980 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.571 4.805 -13.165 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.518 3.664 -13.977 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.247 3.129 -15.516 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.456 5.177 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.989 5.518 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.229 3.569 -16.561 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.428 4.605 -15.780 1.00 0.00 H new ATOM 655 N HIS A 39 2.077 3.386 -11.529 1.00 0.00 N ATOM 656 CA HIS A 39 3.316 3.873 -10.947 1.00 0.00 C ATOM 657 C HIS A 39 3.029 4.502 -9.582 1.00 0.00 C ATOM 658 O HIS A 39 1.931 5.002 -9.343 1.00 0.00 O ATOM 659 CB HIS A 39 4.025 4.833 -11.904 1.00 0.00 C ATOM 660 CG HIS A 39 5.052 4.169 -12.790 1.00 0.00 C ATOM 661 ND1 HIS A 39 5.127 4.398 -14.153 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.045 3.282 -12.493 1.00 0.00 C ATOM 663 CE1 HIS A 39 6.123 3.675 -14.644 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.691 2.984 -13.614 1.00 0.00 N ATOM 0 H HIS A 39 1.486 4.109 -11.940 1.00 0.00 H new ATOM 0 HA HIS A 39 4.000 3.039 -10.788 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.279 5.321 -12.532 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.513 5.615 -11.322 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.268 2.889 -11.512 1.00 0.00 H new ATOM 0 HE1 HIS A 39 6.431 3.639 -15.678 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.481 2.344 -13.692 1.00 0.00 H new ATOM 672 N SER A 40 4.036 4.456 -8.722 1.00 0.00 N ATOM 673 CA SER A 40 3.905 5.015 -7.387 1.00 0.00 C ATOM 674 C SER A 40 3.100 6.314 -7.440 1.00 0.00 C ATOM 675 O SER A 40 3.516 7.282 -8.075 1.00 0.00 O ATOM 676 CB SER A 40 5.278 5.266 -6.759 1.00 0.00 C ATOM 677 OG SER A 40 5.782 6.560 -7.078 1.00 0.00 O ATOM 0 H SER A 40 4.946 4.041 -8.923 1.00 0.00 H new ATOM 0 HA SER A 40 3.376 4.294 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.206 5.162 -5.676 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.980 4.508 -7.106 1.00 0.00 H new ATOM 0 HG SER A 40 5.256 6.944 -7.810 1.00 0.00 H new ATOM 683 N GLY A 41 1.960 6.295 -6.764 1.00 0.00 N ATOM 684 CA GLY A 41 1.093 7.460 -6.726 1.00 0.00 C ATOM 685 C GLY A 41 -0.153 7.244 -7.587 1.00 0.00 C ATOM 686 O GLY A 41 -0.129 7.488 -8.793 1.00 0.00 O ATOM 0 H GLY A 41 1.617 5.491 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.797 7.664 -5.697 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.638 8.335 -7.081 1.00 0.00 H new ATOM 690 N GLN A 42 -1.213 6.788 -6.935 1.00 0.00 N ATOM 691 CA GLN A 42 -2.466 6.536 -7.627 1.00 0.00 C ATOM 692 C GLN A 42 -3.551 7.489 -7.122 1.00 0.00 C ATOM 693 O GLN A 42 -4.725 7.124 -7.066 1.00 0.00 O ATOM 694 CB GLN A 42 -2.898 5.077 -7.465 1.00 0.00 C ATOM 695 CG GLN A 42 -2.026 4.150 -8.314 1.00 0.00 C ATOM 696 CD GLN A 42 -2.610 2.737 -8.359 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.810 2.531 -8.291 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.696 1.777 -8.477 1.00 0.00 N ATOM 0 H GLN A 42 -1.230 6.587 -5.935 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.315 6.719 -8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.829 4.788 -6.416 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.942 4.969 -7.757 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.946 4.547 -9.326 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.017 4.117 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.706 2.019 -8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.985 0.800 -8.516 1.00 0.00 H new ATOM 707 N ALA A 43 -3.121 8.690 -6.765 1.00 0.00 N ATOM 708 CA ALA A 43 -4.042 9.697 -6.267 1.00 0.00 C ATOM 709 C ALA A 43 -3.510 11.088 -6.620 1.00 0.00 C ATOM 710 O ALA A 43 -2.367 11.417 -6.307 1.00 0.00 O ATOM 711 CB ALA A 43 -4.234 9.512 -4.760 1.00 0.00 C ATOM 0 H ALA A 43 -2.147 8.988 -6.811 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.020 9.589 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.925 10.267 -4.386 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.640 8.520 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.274 9.617 -4.255 1.00 0.00 H new ATOM 717 N GLU A 44 -4.365 11.866 -7.268 1.00 0.00 N ATOM 718 CA GLU A 44 -3.995 13.213 -7.668 1.00 0.00 C ATOM 719 C GLU A 44 -4.526 14.231 -6.656 1.00 0.00 C ATOM 720 O GLU A 44 -3.760 15.021 -6.105 1.00 0.00 O ATOM 721 CB GLU A 44 -4.502 13.525 -9.077 1.00 0.00 C ATOM 722 CG GLU A 44 -3.355 13.503 -10.090 1.00 0.00 C ATOM 723 CD GLU A 44 -2.547 14.801 -10.032 1.00 0.00 C ATOM 724 OE1 GLU A 44 -1.919 15.032 -8.976 1.00 0.00 O ATOM 725 OE2 GLU A 44 -2.576 15.533 -11.045 1.00 0.00 O ATOM 0 H GLU A 44 -5.312 11.589 -7.526 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.907 13.281 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.260 12.796 -9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.982 14.504 -9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.702 12.654 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.755 13.364 -11.094 1.00 0.00 H new ATOM 732 N GLY A 45 -5.832 14.179 -6.442 1.00 0.00 N ATOM 733 CA GLY A 45 -6.474 15.087 -5.507 1.00 0.00 C ATOM 734 C GLY A 45 -5.737 15.104 -4.166 1.00 0.00 C ATOM 735 O GLY A 45 -5.556 16.163 -3.567 1.00 0.00 O ATOM 0 H GLY A 45 -6.463 13.522 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.495 16.093 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.510 14.784 -5.353 1.00 0.00 H new ATOM 739 N TYR A 46 -5.332 13.918 -3.735 1.00 0.00 N ATOM 740 CA TYR A 46 -4.619 13.784 -2.476 1.00 0.00 C ATOM 741 C TYR A 46 -3.126 14.067 -2.659 1.00 0.00 C ATOM 742 O TYR A 46 -2.461 13.418 -3.465 1.00 0.00 O ATOM 743 CB TYR A 46 -4.800 12.328 -2.043 1.00 0.00 C ATOM 744 CG TYR A 46 -4.342 12.043 -0.611 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.995 11.952 -0.322 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.275 11.877 0.392 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.564 11.684 1.025 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.844 11.610 1.740 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.510 11.526 1.990 1.00 0.00 C ATOM 750 OH TYR A 46 -3.103 11.273 3.263 1.00 0.00 O ATOM 0 H TYR A 46 -5.484 13.042 -4.235 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.003 14.490 -1.740 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.852 12.060 -2.137 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.245 11.685 -2.726 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.265 12.082 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.329 11.947 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.513 11.610 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.564 11.479 2.534 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.886 11.185 3.845 1.00 0.00 H new ATOM 760 N SER A 47 -2.643 15.037 -1.897 1.00 0.00 N ATOM 761 CA SER A 47 -1.242 15.415 -1.964 1.00 0.00 C ATOM 762 C SER A 47 -0.363 14.248 -1.508 1.00 0.00 C ATOM 763 O SER A 47 -0.710 13.536 -0.567 1.00 0.00 O ATOM 764 CB SER A 47 -0.963 16.654 -1.111 1.00 0.00 C ATOM 765 OG SER A 47 -1.147 16.398 0.279 1.00 0.00 O ATOM 0 H SER A 47 -3.198 15.573 -1.229 1.00 0.00 H new ATOM 0 HA SER A 47 -1.003 15.659 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.059 16.992 -1.285 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.623 17.464 -1.421 1.00 0.00 H new ATOM 0 HG SER A 47 -0.958 17.213 0.790 1.00 0.00 H new ATOM 771 N TYR A 48 0.757 14.089 -2.196 1.00 0.00 N ATOM 772 CA TYR A 48 1.688 13.021 -1.874 1.00 0.00 C ATOM 773 C TYR A 48 3.031 13.586 -1.407 1.00 0.00 C ATOM 774 O TYR A 48 3.185 14.799 -1.273 1.00 0.00 O ATOM 775 CB TYR A 48 1.901 12.240 -3.172 1.00 0.00 C ATOM 776 CG TYR A 48 1.088 10.947 -3.262 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.288 10.989 -3.163 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.731 9.739 -3.440 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.052 9.771 -3.247 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.966 8.522 -3.524 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.388 8.598 -3.423 1.00 0.00 C ATOM 782 OH TYR A 48 -1.110 7.448 -3.502 1.00 0.00 O ATOM 0 H TYR A 48 1.041 14.682 -2.976 1.00 0.00 H new ATOM 0 HA TYR A 48 1.293 12.398 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.641 12.880 -4.015 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.960 11.999 -3.269 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.791 11.934 -3.023 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.808 9.706 -3.516 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.129 9.789 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.457 7.570 -3.664 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.503 6.689 -3.629 1.00 0.00 H new ATOM 792 N THR A 49 3.968 12.680 -1.171 1.00 0.00 N ATOM 793 CA THR A 49 5.293 13.073 -0.722 1.00 0.00 C ATOM 794 C THR A 49 6.269 13.101 -1.899 1.00 0.00 C ATOM 795 O THR A 49 5.904 12.753 -3.021 1.00 0.00 O ATOM 796 CB THR A 49 5.716 12.118 0.396 1.00 0.00 C ATOM 797 OG1 THR A 49 5.759 10.841 -0.236 1.00 0.00 O ATOM 798 CG2 THR A 49 4.641 11.965 1.474 1.00 0.00 C ATOM 0 H THR A 49 3.836 11.675 -1.282 1.00 0.00 H new ATOM 0 HA THR A 49 5.290 14.086 -0.320 1.00 0.00 H new ATOM 0 HB THR A 49 6.638 12.479 0.852 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.027 10.161 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.992 11.277 2.243 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.435 12.937 1.923 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.729 11.572 1.025 1.00 0.00 H new ATOM 806 N ASP A 50 7.492 13.519 -1.604 1.00 0.00 N ATOM 807 CA ASP A 50 8.523 13.597 -2.624 1.00 0.00 C ATOM 808 C ASP A 50 9.440 12.377 -2.510 1.00 0.00 C ATOM 809 O ASP A 50 10.579 12.407 -2.973 1.00 0.00 O ATOM 810 CB ASP A 50 9.380 14.851 -2.446 1.00 0.00 C ATOM 811 CG ASP A 50 9.285 15.867 -3.586 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.253 16.571 -3.633 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.246 15.917 -4.384 1.00 0.00 O ATOM 0 H ASP A 50 7.791 13.807 -0.672 1.00 0.00 H new ATOM 0 HA ASP A 50 8.033 13.631 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.090 15.342 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.421 14.548 -2.335 1.00 0.00 H new ATOM 818 N ALA A 51 8.909 11.333 -1.891 1.00 0.00 N ATOM 819 CA ALA A 51 9.665 10.106 -1.711 1.00 0.00 C ATOM 820 C ALA A 51 9.050 9.001 -2.572 1.00 0.00 C ATOM 821 O ALA A 51 9.739 8.390 -3.388 1.00 0.00 O ATOM 822 CB ALA A 51 9.695 9.738 -0.226 1.00 0.00 C ATOM 0 H ALA A 51 7.964 11.312 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 51 10.697 10.241 -2.035 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.262 8.817 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.168 10.542 0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.676 9.593 0.133 1.00 0.00 H new ATOM 828 N ASN A 52 7.761 8.779 -2.362 1.00 0.00 N ATOM 829 CA ASN A 52 7.046 7.759 -3.110 1.00 0.00 C ATOM 830 C ASN A 52 7.100 8.094 -4.602 1.00 0.00 C ATOM 831 O ASN A 52 7.752 7.394 -5.375 1.00 0.00 O ATOM 832 CB ASN A 52 5.575 7.700 -2.692 1.00 0.00 C ATOM 833 CG ASN A 52 4.842 6.573 -3.423 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.263 5.428 -3.433 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.726 6.961 -4.034 1.00 0.00 N ATOM 0 H ASN A 52 7.193 9.288 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 52 7.518 6.798 -2.906 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.505 7.546 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.093 8.653 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.166 6.283 -4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.431 7.936 -3.986 1.00 0.00 H new ATOM 842 N ILE A 53 6.407 9.165 -4.961 1.00 0.00 N ATOM 843 CA ILE A 53 6.368 9.601 -6.347 1.00 0.00 C ATOM 844 C ILE A 53 7.761 9.452 -6.963 1.00 0.00 C ATOM 845 O ILE A 53 7.892 9.072 -8.125 1.00 0.00 O ATOM 846 CB ILE A 53 5.800 11.018 -6.447 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.290 11.021 -6.201 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.164 11.661 -7.786 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.778 12.442 -5.955 1.00 0.00 C ATOM 0 H ILE A 53 5.868 9.744 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 53 5.693 8.970 -6.926 1.00 0.00 H new ATOM 0 HB ILE A 53 6.255 11.625 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.777 10.589 -7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.057 10.392 -5.342 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.748 12.668 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.249 11.712 -7.882 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.755 11.063 -8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.702 12.416 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.275 12.862 -5.081 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.991 13.062 -6.826 1.00 0.00 H new ATOM 861 N LYS A 54 8.766 9.759 -6.156 1.00 0.00 N ATOM 862 CA LYS A 54 10.144 9.664 -6.607 1.00 0.00 C ATOM 863 C LYS A 54 10.654 8.240 -6.379 1.00 0.00 C ATOM 864 O LYS A 54 11.750 8.045 -5.857 1.00 0.00 O ATOM 865 CB LYS A 54 11.002 10.739 -5.937 1.00 0.00 C ATOM 866 CG LYS A 54 10.432 12.135 -6.195 1.00 0.00 C ATOM 867 CD LYS A 54 10.959 12.708 -7.512 1.00 0.00 C ATOM 868 CE LYS A 54 10.593 14.187 -7.652 1.00 0.00 C ATOM 869 NZ LYS A 54 9.137 14.343 -7.869 1.00 0.00 N ATOM 0 H LYS A 54 8.653 10.074 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 54 10.209 9.858 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.050 10.554 -4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.023 10.683 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.343 12.087 -6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.700 12.799 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.042 12.592 -7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.544 12.146 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.893 14.728 -6.755 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.140 14.626 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.908 15.352 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.857 13.829 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.621 13.958 -7.052 1.00 0.00 H new ATOM 883 N LYS A 55 9.834 7.280 -6.783 1.00 0.00 N ATOM 884 CA LYS A 55 10.188 5.880 -6.629 1.00 0.00 C ATOM 885 C LYS A 55 9.898 5.139 -7.936 1.00 0.00 C ATOM 886 O LYS A 55 10.731 4.371 -8.417 1.00 0.00 O ATOM 887 CB LYS A 55 9.482 5.279 -5.412 1.00 0.00 C ATOM 888 CG LYS A 55 10.224 4.042 -4.903 1.00 0.00 C ATOM 889 CD LYS A 55 11.553 4.429 -4.250 1.00 0.00 C ATOM 890 CE LYS A 55 12.725 4.175 -5.200 1.00 0.00 C ATOM 891 NZ LYS A 55 13.765 3.360 -4.533 1.00 0.00 N ATOM 0 H LYS A 55 8.926 7.445 -7.217 1.00 0.00 H new ATOM 0 HA LYS A 55 11.255 5.776 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.421 6.023 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.459 5.011 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.602 3.511 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.407 3.357 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.531 5.482 -3.968 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.692 3.856 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.371 3.663 -6.095 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.151 5.125 -5.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.553 3.197 -5.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.114 3.863 -3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.359 2.447 -4.246 1.00 0.00 H new ATOM 905 N ASN A 56 8.715 5.394 -8.474 1.00 0.00 N ATOM 906 CA ASN A 56 8.305 4.761 -9.716 1.00 0.00 C ATOM 907 C ASN A 56 8.043 3.275 -9.463 1.00 0.00 C ATOM 908 O ASN A 56 8.115 2.462 -10.384 1.00 0.00 O ATOM 909 CB ASN A 56 9.399 4.874 -10.779 1.00 0.00 C ATOM 910 CG ASN A 56 8.812 5.291 -12.129 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.812 4.544 -13.093 1.00 0.00 O ATOM 912 ND2 ASN A 56 8.312 6.523 -12.143 1.00 0.00 N ATOM 0 H ASN A 56 8.027 6.031 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 56 7.405 5.264 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.145 5.603 -10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.912 3.918 -10.881 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.896 6.895 -12.997 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.344 7.096 -11.300 1.00 0.00 H new ATOM 919 N VAL A 57 7.744 2.964 -8.211 1.00 0.00 N ATOM 920 CA VAL A 57 7.471 1.590 -7.825 1.00 0.00 C ATOM 921 C VAL A 57 6.213 1.102 -8.548 1.00 0.00 C ATOM 922 O VAL A 57 5.102 1.266 -8.047 1.00 0.00 O ATOM 923 CB VAL A 57 7.364 1.485 -6.303 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.416 2.549 -5.745 1.00 0.00 C ATOM 925 CG2 VAL A 57 6.923 0.082 -5.880 1.00 0.00 C ATOM 0 H VAL A 57 7.685 3.640 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 57 8.292 0.939 -8.125 1.00 0.00 H new ATOM 0 HB VAL A 57 8.354 1.666 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.358 2.452 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.790 3.540 -6.001 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.424 2.414 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.855 0.034 -4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.948 -0.140 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.651 -0.649 -6.230 1.00 0.00 H new ATOM 935 N LEU A 58 6.431 0.512 -9.714 1.00 0.00 N ATOM 936 CA LEU A 58 5.329 0.000 -10.511 1.00 0.00 C ATOM 937 C LEU A 58 4.690 -1.187 -9.787 1.00 0.00 C ATOM 938 O LEU A 58 5.135 -2.323 -9.937 1.00 0.00 O ATOM 939 CB LEU A 58 5.800 -0.327 -11.930 1.00 0.00 C ATOM 940 CG LEU A 58 4.703 -0.451 -12.989 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.425 0.900 -13.650 1.00 0.00 C ATOM 942 CD2 LEU A 58 5.052 -1.531 -14.015 1.00 0.00 C ATOM 0 H LEU A 58 7.354 0.377 -10.126 1.00 0.00 H new ATOM 0 HA LEU A 58 4.556 0.760 -10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.498 0.448 -12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.356 -1.264 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 58 3.783 -0.762 -12.494 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.641 0.784 -14.399 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.102 1.615 -12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.334 1.264 -14.129 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.256 -1.599 -14.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.988 -1.274 -14.510 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.161 -2.491 -13.510 1.00 0.00 H new ATOM 954 N TRP A 59 3.657 -0.881 -9.016 1.00 0.00 N ATOM 955 CA TRP A 59 2.952 -1.908 -8.267 1.00 0.00 C ATOM 956 C TRP A 59 2.523 -2.999 -9.251 1.00 0.00 C ATOM 957 O TRP A 59 1.709 -2.753 -10.140 1.00 0.00 O ATOM 958 CB TRP A 59 1.780 -1.311 -7.487 1.00 0.00 C ATOM 959 CG TRP A 59 2.129 -0.037 -6.716 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.662 1.203 -6.916 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.046 0.072 -5.607 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.208 2.100 -6.021 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.076 1.390 -5.199 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.823 -0.910 -4.969 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.868 1.847 -4.138 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.609 -0.438 -3.910 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.651 0.886 -3.488 1.00 0.00 C ATOM 0 H TRP A 59 3.291 0.063 -8.894 1.00 0.00 H new ATOM 0 HA TRP A 59 3.603 -2.354 -7.515 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.969 -1.092 -8.181 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.406 -2.057 -6.785 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.948 1.467 -7.682 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.011 3.100 -5.972 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.815 -1.947 -5.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.874 2.884 -3.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.225 -1.152 -3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.285 1.172 -2.662 1.00 0.00 H new ATOM 978 N ASP A 60 3.089 -4.181 -9.058 1.00 0.00 N ATOM 979 CA ASP A 60 2.775 -5.310 -9.917 1.00 0.00 C ATOM 980 C ASP A 60 2.077 -6.394 -9.093 1.00 0.00 C ATOM 981 O ASP A 60 0.913 -6.709 -9.335 1.00 0.00 O ATOM 982 CB ASP A 60 4.046 -5.917 -10.515 1.00 0.00 C ATOM 983 CG ASP A 60 3.982 -6.200 -12.018 1.00 0.00 C ATOM 984 OD1 ASP A 60 3.122 -7.020 -12.405 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.795 -5.589 -12.745 1.00 0.00 O ATOM 0 H ASP A 60 3.763 -4.382 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 60 2.132 -4.953 -10.721 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.879 -5.241 -10.323 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.266 -6.849 -9.994 1.00 0.00 H new ATOM 990 N GLU A 61 2.816 -6.933 -8.135 1.00 0.00 N ATOM 991 CA GLU A 61 2.282 -7.975 -7.274 1.00 0.00 C ATOM 992 C GLU A 61 3.325 -8.391 -6.235 1.00 0.00 C ATOM 993 O GLU A 61 2.985 -8.669 -5.086 1.00 0.00 O ATOM 994 CB GLU A 61 1.815 -9.178 -8.094 1.00 0.00 C ATOM 995 CG GLU A 61 0.852 -10.052 -7.287 1.00 0.00 C ATOM 996 CD GLU A 61 0.276 -11.176 -8.150 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.071 -11.774 -8.908 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.945 -11.412 -8.034 1.00 0.00 O ATOM 0 H GLU A 61 3.781 -6.668 -7.936 1.00 0.00 H new ATOM 0 HA GLU A 61 1.414 -7.576 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.323 -8.834 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.677 -9.769 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.374 -10.478 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.041 -9.439 -6.894 1.00 0.00 H new ATOM 1005 N ASN A 62 4.574 -8.420 -6.676 1.00 0.00 N ATOM 1006 CA ASN A 62 5.669 -8.797 -5.798 1.00 0.00 C ATOM 1007 C ASN A 62 6.351 -7.534 -5.268 1.00 0.00 C ATOM 1008 O ASN A 62 6.390 -7.307 -4.059 1.00 0.00 O ATOM 1009 CB ASN A 62 6.718 -9.620 -6.549 1.00 0.00 C ATOM 1010 CG ASN A 62 6.743 -11.065 -6.047 1.00 0.00 C ATOM 1011 OD1 ASN A 62 7.180 -11.360 -4.946 1.00 0.00 O ATOM 1012 ND2 ASN A 62 6.251 -11.947 -6.912 1.00 0.00 N ATOM 0 H ASN A 62 4.852 -8.189 -7.630 1.00 0.00 H new ATOM 0 HA ASN A 62 5.258 -9.393 -4.983 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.500 -9.606 -7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.702 -9.169 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.223 -12.938 -6.670 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.901 -11.633 -7.817 1.00 0.00 H new ATOM 1019 N ASN A 63 6.870 -6.746 -6.197 1.00 0.00 N ATOM 1020 CA ASN A 63 7.548 -5.511 -5.838 1.00 0.00 C ATOM 1021 C ASN A 63 6.786 -4.829 -4.700 1.00 0.00 C ATOM 1022 O ASN A 63 7.388 -4.180 -3.846 1.00 0.00 O ATOM 1023 CB ASN A 63 7.595 -4.544 -7.022 1.00 0.00 C ATOM 1024 CG ASN A 63 6.256 -3.825 -7.196 1.00 0.00 C ATOM 1025 OD1 ASN A 63 5.192 -4.422 -7.166 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.367 -2.512 -7.380 1.00 0.00 N ATOM 0 H ASN A 63 6.835 -6.938 -7.198 1.00 0.00 H new ATOM 0 HA ASN A 63 8.565 -5.760 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.388 -3.812 -6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.840 -5.090 -7.933 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.530 -1.942 -7.507 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.289 -2.075 -7.394 1.00 0.00 H new ATOM 1033 N MET A 64 5.472 -4.999 -4.725 1.00 0.00 N ATOM 1034 CA MET A 64 4.622 -4.407 -3.706 1.00 0.00 C ATOM 1035 C MET A 64 4.755 -5.155 -2.378 1.00 0.00 C ATOM 1036 O MET A 64 4.955 -4.539 -1.332 1.00 0.00 O ATOM 1037 CB MET A 64 3.164 -4.447 -4.171 1.00 0.00 C ATOM 1038 CG MET A 64 2.227 -3.918 -3.083 1.00 0.00 C ATOM 1039 SD MET A 64 1.667 -2.277 -3.507 1.00 0.00 S ATOM 1040 CE MET A 64 0.215 -2.682 -4.463 1.00 0.00 C ATOM 0 H MET A 64 4.976 -5.538 -5.435 1.00 0.00 H new ATOM 0 HA MET A 64 4.936 -3.375 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.051 -3.850 -5.076 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.888 -5.470 -4.428 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.373 -4.585 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.744 -3.898 -2.124 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.290 -1.764 -4.764 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.508 -3.242 -5.351 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.461 -3.287 -3.859 1.00 0.00 H new ATOM 1050 N SER A 65 4.640 -6.472 -2.464 1.00 0.00 N ATOM 1051 CA SER A 65 4.745 -7.311 -1.282 1.00 0.00 C ATOM 1052 C SER A 65 6.067 -7.036 -0.561 1.00 0.00 C ATOM 1053 O SER A 65 6.102 -6.940 0.665 1.00 0.00 O ATOM 1054 CB SER A 65 4.638 -8.793 -1.646 1.00 0.00 C ATOM 1055 OG SER A 65 5.805 -9.265 -2.313 1.00 0.00 O ATOM 0 H SER A 65 4.475 -6.979 -3.334 1.00 0.00 H new ATOM 0 HA SER A 65 3.917 -7.068 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.477 -9.378 -0.740 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.768 -8.947 -2.284 1.00 0.00 H new ATOM 0 HG SER A 65 5.972 -8.717 -3.108 1.00 0.00 H new ATOM 1061 N GLU A 66 7.122 -6.917 -1.354 1.00 0.00 N ATOM 1062 CA GLU A 66 8.443 -6.655 -0.807 1.00 0.00 C ATOM 1063 C GLU A 66 8.445 -5.335 -0.034 1.00 0.00 C ATOM 1064 O GLU A 66 9.180 -5.183 0.941 1.00 0.00 O ATOM 1065 CB GLU A 66 9.502 -6.647 -1.911 1.00 0.00 C ATOM 1066 CG GLU A 66 10.704 -7.510 -1.525 1.00 0.00 C ATOM 1067 CD GLU A 66 11.875 -6.643 -1.060 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.708 -5.976 -0.016 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.912 -6.666 -1.758 1.00 0.00 O ATOM 0 H GLU A 66 7.089 -6.997 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 66 8.694 -7.459 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.067 -7.017 -2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.829 -5.624 -2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.420 -8.200 -0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.011 -8.115 -2.378 1.00 0.00 H new ATOM 1076 N TYR A 67 7.615 -4.413 -0.499 1.00 0.00 N ATOM 1077 CA TYR A 67 7.512 -3.110 0.136 1.00 0.00 C ATOM 1078 C TYR A 67 6.595 -3.167 1.360 1.00 0.00 C ATOM 1079 O TYR A 67 6.955 -2.688 2.434 1.00 0.00 O ATOM 1080 CB TYR A 67 6.893 -2.179 -0.908 1.00 0.00 C ATOM 1081 CG TYR A 67 6.145 -0.985 -0.312 1.00 0.00 C ATOM 1082 CD1 TYR A 67 4.802 -1.092 -0.011 1.00 0.00 C ATOM 1083 CD2 TYR A 67 6.813 0.199 -0.074 1.00 0.00 C ATOM 1084 CE1 TYR A 67 4.098 0.032 0.550 1.00 0.00 C ATOM 1085 CE2 TYR A 67 6.109 1.322 0.487 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.786 1.184 0.771 1.00 0.00 C ATOM 1087 OH TYR A 67 4.121 2.245 1.301 1.00 0.00 O ATOM 0 H TYR A 67 7.007 -4.542 -1.308 1.00 0.00 H new ATOM 0 HA TYR A 67 8.491 -2.769 0.472 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.682 -1.810 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.205 -2.753 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.279 -2.019 -0.196 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.864 0.283 -0.309 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.047 -0.038 0.790 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.620 2.254 0.678 1.00 0.00 H new ATOM 0 HH TYR A 67 3.888 2.052 2.233 1.00 0.00 H new ATOM 1097 N LEU A 68 5.426 -3.758 1.156 1.00 0.00 N ATOM 1098 CA LEU A 68 4.454 -3.884 2.228 1.00 0.00 C ATOM 1099 C LEU A 68 5.179 -4.239 3.528 1.00 0.00 C ATOM 1100 O LEU A 68 4.867 -3.693 4.586 1.00 0.00 O ATOM 1101 CB LEU A 68 3.358 -4.879 1.844 1.00 0.00 C ATOM 1102 CG LEU A 68 2.454 -4.465 0.681 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.374 -5.518 0.424 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.856 -3.077 0.918 1.00 0.00 C ATOM 0 H LEU A 68 5.131 -4.155 0.264 1.00 0.00 H new ATOM 0 HA LEU A 68 3.945 -2.934 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.829 -5.829 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.733 -5.056 2.719 1.00 0.00 H new ATOM 0 HG LEU A 68 3.064 -4.403 -0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.745 -5.199 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.845 -6.470 0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.761 -5.636 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.218 -2.807 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.264 -3.087 1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.659 -2.346 1.013 1.00 0.00 H new ATOM 1116 N THR A 69 6.132 -5.151 3.407 1.00 0.00 N ATOM 1117 CA THR A 69 6.904 -5.585 4.559 1.00 0.00 C ATOM 1118 C THR A 69 7.920 -4.513 4.955 1.00 0.00 C ATOM 1119 O THR A 69 8.130 -4.258 6.140 1.00 0.00 O ATOM 1120 CB THR A 69 7.543 -6.933 4.219 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.319 -7.249 5.371 1.00 0.00 O ATOM 1122 CG2 THR A 69 8.574 -6.825 3.094 1.00 0.00 C ATOM 0 H THR A 69 6.387 -5.602 2.528 1.00 0.00 H new ATOM 0 HA THR A 69 6.267 -5.722 5.433 1.00 0.00 H new ATOM 0 HB THR A 69 6.766 -7.641 3.932 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.768 -8.110 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.997 -7.809 2.892 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.091 -6.446 2.193 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.370 -6.143 3.394 1.00 0.00 H new ATOM 1130 N ASN A 70 8.526 -3.913 3.940 1.00 0.00 N ATOM 1131 CA ASN A 70 9.515 -2.874 4.167 1.00 0.00 C ATOM 1132 C ASN A 70 9.151 -1.639 3.341 1.00 0.00 C ATOM 1133 O ASN A 70 9.806 -1.339 2.344 1.00 0.00 O ATOM 1134 CB ASN A 70 10.909 -3.337 3.736 1.00 0.00 C ATOM 1135 CG ASN A 70 11.995 -2.653 4.568 1.00 0.00 C ATOM 1136 OD1 ASN A 70 11.787 -1.616 5.177 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.164 -3.288 4.559 1.00 0.00 N ATOM 0 H ASN A 70 8.350 -4.127 2.958 1.00 0.00 H new ATOM 0 HA ASN A 70 9.524 -2.645 5.233 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.988 -4.418 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.060 -3.114 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.953 -2.910 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.271 -4.152 4.028 1.00 0.00 H new ATOM 1144 N PRO A 71 8.080 -0.937 3.798 1.00 0.00 N ATOM 1145 CA PRO A 71 7.620 0.259 3.113 1.00 0.00 C ATOM 1146 C PRO A 71 8.554 1.440 3.385 1.00 0.00 C ATOM 1147 O PRO A 71 8.644 2.293 2.520 1.00 0.00 O ATOM 1148 CB PRO A 71 6.208 0.488 3.625 1.00 0.00 C ATOM 1149 CG PRO A 71 6.098 -0.309 4.915 1.00 0.00 C ATOM 1150 CD PRO A 71 7.280 -1.262 4.976 1.00 0.00 C ATOM 0 HA PRO A 71 7.623 0.150 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.024 1.547 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.469 0.155 2.896 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.100 0.358 5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.159 -0.863 4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.852 -1.125 5.893 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.952 -2.301 4.957 1.00 0.00 H new ATOM 1189 N LYS A 73 11.847 1.274 3.969 1.00 0.00 N ATOM 1190 CA LYS A 73 13.131 1.098 3.311 1.00 0.00 C ATOM 1191 C LYS A 73 12.986 1.426 1.823 1.00 0.00 C ATOM 1192 O LYS A 73 13.557 2.402 1.340 1.00 0.00 O ATOM 1193 CB LYS A 73 13.684 -0.303 3.580 1.00 0.00 C ATOM 1194 CG LYS A 73 15.138 -0.417 3.117 1.00 0.00 C ATOM 1195 CD LYS A 73 16.077 0.325 4.070 1.00 0.00 C ATOM 1196 CE LYS A 73 16.658 -0.626 5.118 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.001 -0.171 5.543 1.00 0.00 N ATOM 0 HA LYS A 73 13.867 1.790 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.619 -0.525 4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.075 -1.044 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.425 -1.467 3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.236 -0.007 2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.886 0.786 3.503 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.536 1.131 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.994 -0.675 5.981 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.722 -1.634 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.381 -0.828 6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.636 -0.147 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.931 0.782 5.954 1.00 0.00 H new ATOM 1211 N TYR A 74 12.217 0.592 1.138 1.00 0.00 N ATOM 1212 CA TYR A 74 11.989 0.780 -0.284 1.00 0.00 C ATOM 1213 C TYR A 74 11.758 2.257 -0.611 1.00 0.00 C ATOM 1214 O TYR A 74 12.429 2.818 -1.475 1.00 0.00 O ATOM 1215 CB TYR A 74 10.721 -0.008 -0.617 1.00 0.00 C ATOM 1216 CG TYR A 74 10.548 -0.309 -2.107 1.00 0.00 C ATOM 1217 CD1 TYR A 74 10.544 0.724 -3.023 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.396 -1.612 -2.535 1.00 0.00 C ATOM 1219 CE1 TYR A 74 10.381 0.441 -4.425 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.233 -1.895 -3.937 1.00 0.00 C ATOM 1221 CZ TYR A 74 10.233 -0.854 -4.813 1.00 0.00 C ATOM 1222 OH TYR A 74 10.079 -1.121 -6.138 1.00 0.00 O ATOM 0 H TYR A 74 11.744 -0.216 1.542 1.00 0.00 H new ATOM 0 HA TYR A 74 12.852 0.444 -0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 74 10.735 -0.948 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.855 0.553 -0.267 1.00 0.00 H new ATOM 0 HD1 TYR A 74 10.663 1.744 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.399 -2.420 -1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.376 1.239 -5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.113 -2.910 -4.285 1.00 0.00 H new ATOM 0 HH TYR A 74 9.985 -2.088 -6.268 1.00 0.00 H new ATOM 1232 N ILE A 75 10.805 2.845 0.098 1.00 0.00 N ATOM 1233 CA ILE A 75 10.476 4.245 -0.106 1.00 0.00 C ATOM 1234 C ILE A 75 10.933 5.054 1.109 1.00 0.00 C ATOM 1235 O ILE A 75 10.258 5.072 2.137 1.00 0.00 O ATOM 1236 CB ILE A 75 8.989 4.405 -0.427 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.664 3.850 -1.815 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.549 5.863 -0.275 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.161 3.614 -1.974 1.00 0.00 C ATOM 0 H ILE A 75 10.250 2.377 0.815 1.00 0.00 H new ATOM 0 HA ILE A 75 11.009 4.639 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 75 8.419 3.820 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.009 4.547 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.201 2.914 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.488 5.949 -0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 75 8.722 6.190 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.123 6.489 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.958 3.219 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.824 2.898 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.629 4.556 -1.842 1.00 0.00 H new ATOM 1251 N PRO A 76 12.108 5.721 0.947 1.00 0.00 N ATOM 1252 CA PRO A 76 12.663 6.529 2.019 1.00 0.00 C ATOM 1253 C PRO A 76 11.897 7.845 2.166 1.00 0.00 C ATOM 1254 O PRO A 76 12.023 8.739 1.331 1.00 0.00 O ATOM 1255 CB PRO A 76 14.122 6.731 1.644 1.00 0.00 C ATOM 1256 CG PRO A 76 14.217 6.426 0.157 1.00 0.00 C ATOM 1257 CD PRO A 76 12.935 5.722 -0.256 1.00 0.00 C ATOM 0 HA PRO A 76 12.578 6.050 2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.442 7.752 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 76 14.769 6.069 2.220 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.349 7.345 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.082 5.796 -0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.442 6.246 -1.075 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.134 4.707 -0.601 1.00 0.00 H new ATOM 1265 N GLY A 77 11.118 7.923 3.236 1.00 0.00 N ATOM 1266 CA GLY A 77 10.331 9.115 3.504 1.00 0.00 C ATOM 1267 C GLY A 77 8.840 8.845 3.294 1.00 0.00 C ATOM 1268 O GLY A 77 8.108 9.717 2.828 1.00 0.00 O ATOM 0 H GLY A 77 11.015 7.180 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.504 9.447 4.528 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.654 9.924 2.848 1.00 0.00 H new ATOM 1272 N THR A 78 8.434 7.635 3.648 1.00 0.00 N ATOM 1273 CA THR A 78 7.043 7.240 3.504 1.00 0.00 C ATOM 1274 C THR A 78 6.292 7.445 4.821 1.00 0.00 C ATOM 1275 O THR A 78 6.592 6.792 5.819 1.00 0.00 O ATOM 1276 CB THR A 78 7.012 5.794 3.005 1.00 0.00 C ATOM 1277 OG1 THR A 78 5.728 5.664 2.400 1.00 0.00 O ATOM 1278 CG2 THR A 78 6.988 4.780 4.151 1.00 0.00 C ATOM 0 H THR A 78 9.044 6.915 4.034 1.00 0.00 H new ATOM 0 HA THR A 78 6.528 7.863 2.772 1.00 0.00 H new ATOM 0 HB THR A 78 7.881 5.608 2.374 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.623 4.756 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.966 3.770 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.880 4.904 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.101 4.943 4.763 1.00 0.00 H new ATOM 1286 N LYS A 79 5.329 8.355 4.780 1.00 0.00 N ATOM 1287 CA LYS A 79 4.532 8.654 5.958 1.00 0.00 C ATOM 1288 C LYS A 79 3.865 7.371 6.457 1.00 0.00 C ATOM 1289 O LYS A 79 3.436 7.297 7.607 1.00 0.00 O ATOM 1290 CB LYS A 79 3.546 9.786 5.664 1.00 0.00 C ATOM 1291 CG LYS A 79 4.153 11.147 6.010 1.00 0.00 C ATOM 1292 CD LYS A 79 3.317 11.867 7.069 1.00 0.00 C ATOM 1293 CE LYS A 79 3.724 11.433 8.478 1.00 0.00 C ATOM 1294 NZ LYS A 79 3.880 12.611 9.360 1.00 0.00 N ATOM 0 H LYS A 79 5.083 8.895 3.950 1.00 0.00 H new ATOM 0 HA LYS A 79 5.167 9.017 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.267 9.766 4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.632 9.635 6.238 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.171 11.013 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.215 11.761 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.443 12.945 6.966 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.260 11.653 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.971 10.761 8.889 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.660 10.876 8.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.156 12.297 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.615 13.238 8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.978 13.127 9.413 1.00 0.00 H new ATOM 1308 N MET A 80 3.799 6.392 5.567 1.00 0.00 N ATOM 1309 CA MET A 80 3.192 5.115 5.902 1.00 0.00 C ATOM 1310 C MET A 80 3.881 4.481 7.112 1.00 0.00 C ATOM 1311 O MET A 80 4.829 3.712 6.958 1.00 0.00 O ATOM 1312 CB MET A 80 3.293 4.170 4.703 1.00 0.00 C ATOM 1313 CG MET A 80 2.730 2.789 5.044 1.00 0.00 C ATOM 1314 SD MET A 80 2.351 1.898 3.545 1.00 0.00 S ATOM 1315 CE MET A 80 2.168 0.248 4.203 1.00 0.00 C ATOM 0 H MET A 80 4.156 6.457 4.614 1.00 0.00 H new ATOM 0 HA MET A 80 2.145 5.287 6.152 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.748 4.590 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.335 4.076 4.396 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.453 2.229 5.637 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.831 2.893 5.652 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.468 -0.314 3.586 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.136 -0.253 4.202 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.789 0.303 5.223 1.00 0.00 H new ATOM 1325 N ALA A 81 3.379 4.826 8.288 1.00 0.00 N ATOM 1326 CA ALA A 81 3.934 4.300 9.523 1.00 0.00 C ATOM 1327 C ALA A 81 3.302 2.940 9.823 1.00 0.00 C ATOM 1328 O ALA A 81 2.495 2.816 10.743 1.00 0.00 O ATOM 1329 CB ALA A 81 3.713 5.308 10.653 1.00 0.00 C ATOM 0 H ALA A 81 2.593 5.464 8.412 1.00 0.00 H new ATOM 0 HA ALA A 81 5.009 4.149 9.426 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.130 4.913 11.580 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.207 6.247 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.645 5.483 10.781 1.00 0.00 H new ATOM 1335 N PHE A 82 3.692 1.954 9.029 1.00 0.00 N ATOM 1336 CA PHE A 82 3.173 0.607 9.199 1.00 0.00 C ATOM 1337 C PHE A 82 4.252 -0.332 9.741 1.00 0.00 C ATOM 1338 O PHE A 82 4.061 -0.972 10.775 1.00 0.00 O ATOM 1339 CB PHE A 82 2.737 0.119 7.816 1.00 0.00 C ATOM 1340 CG PHE A 82 2.389 -1.370 7.763 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.822 -1.975 8.841 1.00 0.00 C ATOM 1342 CD2 PHE A 82 2.646 -2.089 6.638 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.498 -3.357 8.792 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.323 -3.471 6.589 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.756 -4.076 7.667 1.00 0.00 C ATOM 0 H PHE A 82 4.361 2.060 8.266 1.00 0.00 H new ATOM 0 HA PHE A 82 2.345 0.613 9.908 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.870 0.696 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.536 0.321 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.618 -1.404 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.096 -1.609 5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.047 -3.837 9.648 1.00 0.00 H new ATOM 0 HE2 PHE A 82 2.528 -4.042 5.695 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.511 -5.127 7.630 1.00 0.00 H new ATOM 1355 N GLY A 83 5.362 -0.385 9.020 1.00 0.00 N ATOM 1356 CA GLY A 83 6.472 -1.236 9.417 1.00 0.00 C ATOM 1357 C GLY A 83 6.524 -2.503 8.561 1.00 0.00 C ATOM 1358 O GLY A 83 7.553 -2.810 7.962 1.00 0.00 O ATOM 0 H GLY A 83 5.517 0.147 8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.409 -0.688 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.370 -1.507 10.468 1.00 0.00 H new ATOM 1362 N GLY A 84 5.401 -3.206 8.532 1.00 0.00 N ATOM 1363 CA GLY A 84 5.306 -4.433 7.760 1.00 0.00 C ATOM 1364 C GLY A 84 5.170 -5.649 8.678 1.00 0.00 C ATOM 1365 O GLY A 84 5.634 -5.626 9.817 1.00 0.00 O ATOM 0 H GLY A 84 4.549 -2.949 9.031 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.447 -4.380 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 84 6.192 -4.543 7.134 1.00 0.00 H new ATOM 1369 N LEU A 85 4.533 -6.683 8.148 1.00 0.00 N ATOM 1370 CA LEU A 85 4.330 -7.906 8.906 1.00 0.00 C ATOM 1371 C LEU A 85 5.669 -8.631 9.062 1.00 0.00 C ATOM 1372 O LEU A 85 6.537 -8.185 9.810 1.00 0.00 O ATOM 1373 CB LEU A 85 3.239 -8.762 8.260 1.00 0.00 C ATOM 1374 CG LEU A 85 1.842 -8.140 8.208 1.00 0.00 C ATOM 1375 CD1 LEU A 85 1.278 -8.178 6.786 1.00 0.00 C ATOM 1376 CD2 LEU A 85 0.905 -8.810 9.214 1.00 0.00 C ATOM 0 H LEU A 85 4.151 -6.699 7.203 1.00 0.00 H new ATOM 0 HA LEU A 85 3.971 -7.678 9.909 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.547 -9.001 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.175 -9.705 8.803 1.00 0.00 H new ATOM 0 HG LEU A 85 1.924 -7.092 8.494 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.284 -7.730 6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.934 -7.619 6.119 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.213 -9.212 6.448 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.081 -8.349 9.156 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.823 -9.872 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.304 -8.687 10.221 1.00 0.00 H new ATOM 1388 N LYS A 86 5.793 -9.738 8.344 1.00 0.00 N ATOM 1389 CA LYS A 86 7.011 -10.529 8.394 1.00 0.00 C ATOM 1390 C LYS A 86 6.742 -11.908 7.789 1.00 0.00 C ATOM 1391 O LYS A 86 7.509 -12.384 6.954 1.00 0.00 O ATOM 1392 CB LYS A 86 7.559 -10.579 9.821 1.00 0.00 C ATOM 1393 CG LYS A 86 8.801 -9.696 9.963 1.00 0.00 C ATOM 1394 CD LYS A 86 9.097 -9.399 11.434 1.00 0.00 C ATOM 1395 CE LYS A 86 8.947 -7.905 11.732 1.00 0.00 C ATOM 1396 NZ LYS A 86 8.956 -7.665 13.192 1.00 0.00 N ATOM 0 H LYS A 86 5.070 -10.106 7.725 1.00 0.00 H new ATOM 0 HA LYS A 86 7.793 -10.064 7.794 1.00 0.00 H new ATOM 0 HB2 LYS A 86 6.792 -10.248 10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.808 -11.607 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.658 -10.193 9.509 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.651 -8.761 9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.419 -9.970 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.109 -9.722 11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.759 -7.351 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.017 -7.534 11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 8.853 -6.647 13.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.166 -8.178 13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.855 -8.001 13.594 1.00 0.00 H new ATOM 1410 N LYS A 87 5.650 -12.512 8.235 1.00 0.00 N ATOM 1411 CA LYS A 87 5.271 -13.828 7.749 1.00 0.00 C ATOM 1412 C LYS A 87 4.695 -13.698 6.337 1.00 0.00 C ATOM 1413 O LYS A 87 3.533 -13.334 6.168 1.00 0.00 O ATOM 1414 CB LYS A 87 4.326 -14.513 8.738 1.00 0.00 C ATOM 1415 CG LYS A 87 5.109 -15.322 9.774 1.00 0.00 C ATOM 1416 CD LYS A 87 5.700 -16.588 9.149 1.00 0.00 C ATOM 1417 CE LYS A 87 6.897 -17.092 9.958 1.00 0.00 C ATOM 1418 NZ LYS A 87 6.991 -18.567 9.880 1.00 0.00 N ATOM 0 H LYS A 87 5.016 -12.114 8.928 1.00 0.00 H new ATOM 0 HA LYS A 87 6.145 -14.475 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.716 -13.764 9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.643 -15.170 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.909 -14.710 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.453 -15.593 10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.936 -17.364 9.101 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.010 -16.381 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.815 -16.643 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.797 -16.783 10.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.808 -18.893 10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.122 -18.991 10.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.109 -18.855 8.888 1.00 0.00 H new ATOM 1432 N GLU A 88 5.535 -14.004 5.359 1.00 0.00 N ATOM 1433 CA GLU A 88 5.124 -13.927 3.968 1.00 0.00 C ATOM 1434 C GLU A 88 3.853 -14.747 3.743 1.00 0.00 C ATOM 1435 O GLU A 88 3.060 -14.440 2.855 1.00 0.00 O ATOM 1436 CB GLU A 88 6.247 -14.390 3.038 1.00 0.00 C ATOM 1437 CG GLU A 88 7.084 -13.203 2.555 1.00 0.00 C ATOM 1438 CD GLU A 88 7.607 -13.442 1.137 1.00 0.00 C ATOM 1439 OE1 GLU A 88 6.813 -13.952 0.318 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.789 -13.109 0.905 1.00 0.00 O ATOM 0 H GLU A 88 6.499 -14.306 5.503 1.00 0.00 H new ATOM 0 HA GLU A 88 4.907 -12.885 3.731 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.886 -15.102 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.822 -14.913 2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.481 -12.295 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.922 -13.044 3.234 1.00 0.00 H new ATOM 1447 N LYS A 89 3.698 -15.776 4.564 1.00 0.00 N ATOM 1448 CA LYS A 89 2.536 -16.643 4.466 1.00 0.00 C ATOM 1449 C LYS A 89 1.273 -15.786 4.363 1.00 0.00 C ATOM 1450 O LYS A 89 0.547 -15.860 3.373 1.00 0.00 O ATOM 1451 CB LYS A 89 2.511 -17.638 5.628 1.00 0.00 C ATOM 1452 CG LYS A 89 3.895 -18.251 5.855 1.00 0.00 C ATOM 1453 CD LYS A 89 3.809 -19.775 5.964 1.00 0.00 C ATOM 1454 CE LYS A 89 4.529 -20.449 4.795 1.00 0.00 C ATOM 1455 NZ LYS A 89 5.992 -20.258 4.908 1.00 0.00 N ATOM 0 H LYS A 89 4.358 -16.028 5.300 1.00 0.00 H new ATOM 0 HA LYS A 89 2.586 -17.247 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.179 -17.134 6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.789 -18.428 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.557 -17.978 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.333 -17.842 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.251 -20.101 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.764 -20.084 5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.295 -21.514 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.174 -20.033 3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.478 -20.907 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.234 -19.277 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.294 -20.456 5.883 1.00 0.00 H new ATOM 1469 N ASP A 90 1.048 -14.993 5.400 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.116 -14.123 5.439 1.00 0.00 C ATOM 1471 C ASP A 90 -0.047 -13.136 4.272 1.00 0.00 C ATOM 1472 O ASP A 90 -1.060 -12.852 3.635 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.158 -13.317 6.739 1.00 0.00 C ATOM 1474 CG ASP A 90 -1.126 -13.849 7.798 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.878 -14.788 7.459 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -1.093 -13.303 8.922 1.00 0.00 O ATOM 0 H ASP A 90 1.652 -14.934 6.220 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.007 -14.747 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.845 -13.291 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.431 -12.289 6.503 1.00 0.00 H new ATOM 1481 N ARG A 91 1.157 -12.639 4.029 1.00 0.00 N ATOM 1482 CA ARG A 91 1.370 -11.689 2.950 1.00 0.00 C ATOM 1483 C ARG A 91 0.900 -12.282 1.620 1.00 0.00 C ATOM 1484 O ARG A 91 0.285 -11.589 0.811 1.00 0.00 O ATOM 1485 CB ARG A 91 2.847 -11.308 2.836 1.00 0.00 C ATOM 1486 CG ARG A 91 3.372 -10.747 4.160 1.00 0.00 C ATOM 1487 CD ARG A 91 4.680 -9.981 3.950 1.00 0.00 C ATOM 1488 NE ARG A 91 5.808 -10.734 4.543 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.085 -10.599 4.161 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.405 -9.739 3.184 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.043 -11.324 4.755 1.00 0.00 N ATOM 0 H ARG A 91 1.995 -12.876 4.560 1.00 0.00 H new ATOM 0 HA ARG A 91 0.791 -10.794 3.177 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.431 -12.183 2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.975 -10.567 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.626 -10.086 4.600 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.533 -11.562 4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.854 -9.828 2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.611 -8.994 4.407 1.00 0.00 H new ATOM 0 HE ARG A 91 5.600 -11.397 5.289 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.676 -9.187 2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.377 -9.636 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.800 -11.979 5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.015 -11.221 4.464 1.00 0.00 H new ATOM 1505 N ASN A 92 1.206 -13.558 1.436 1.00 0.00 N ATOM 1506 CA ASN A 92 0.822 -14.251 0.218 1.00 0.00 C ATOM 1507 C ASN A 92 -0.699 -14.191 0.060 1.00 0.00 C ATOM 1508 O ASN A 92 -1.203 -13.921 -1.028 1.00 0.00 O ATOM 1509 CB ASN A 92 1.234 -15.724 0.270 1.00 0.00 C ATOM 1510 CG ASN A 92 2.741 -15.879 0.051 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.422 -14.981 -0.416 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.220 -17.065 0.415 1.00 0.00 N ATOM 0 H ASN A 92 1.715 -14.130 2.110 1.00 0.00 H new ATOM 0 HA ASN A 92 1.323 -13.765 -0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.957 -16.149 1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.692 -16.284 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.214 -17.268 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.593 -17.772 0.799 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.387 -14.448 1.163 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.840 -14.427 1.161 1.00 0.00 C ATOM 1521 C ASP A 93 -3.324 -13.023 0.794 1.00 0.00 C ATOM 1522 O ASP A 93 -4.143 -12.862 -0.111 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.398 -14.774 2.542 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.911 -16.104 3.121 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.053 -17.120 2.407 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.407 -16.074 4.265 1.00 0.00 O ATOM 0 H ASP A 93 -0.965 -14.672 2.064 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.187 -15.164 0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.134 -13.975 3.235 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.486 -14.798 2.482 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.799 -12.043 1.514 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.168 -10.658 1.276 1.00 0.00 C ATOM 1533 C LEU A 94 -2.798 -10.276 -0.159 1.00 0.00 C ATOM 1534 O LEU A 94 -3.657 -9.860 -0.935 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.543 -9.748 2.335 1.00 0.00 C ATOM 1536 CG LEU A 94 -3.525 -8.972 3.216 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.824 -7.817 3.932 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -4.731 -8.495 2.404 1.00 0.00 C ATOM 0 H LEU A 94 -2.120 -12.181 2.263 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.246 -10.528 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.909 -10.356 2.980 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.892 -9.032 1.832 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.901 -9.647 3.985 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.544 -7.282 4.551 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.026 -8.210 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.402 -7.134 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.413 -7.947 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.393 -7.842 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.248 -9.356 1.980 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.519 -10.432 -0.468 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.026 -10.109 -1.796 1.00 0.00 C ATOM 1552 C ILE A 95 -2.051 -10.558 -2.840 1.00 0.00 C ATOM 1553 O ILE A 95 -2.257 -9.879 -3.845 1.00 0.00 O ATOM 1554 CB ILE A 95 0.368 -10.702 -2.008 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.405 -9.992 -1.136 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.754 -10.680 -3.489 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.613 -10.894 -0.874 1.00 0.00 C ATOM 0 H ILE A 95 -0.810 -10.778 0.178 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.909 -9.031 -1.907 1.00 0.00 H new ATOM 0 HB ILE A 95 0.345 -11.746 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.731 -9.075 -1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.951 -9.702 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.749 -11.107 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.035 -11.266 -4.061 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.753 -9.651 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.334 -10.364 -0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.287 -11.799 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.079 -11.162 -1.822 1.00 0.00 H new ATOM 1569 N THR A 96 -2.666 -11.698 -2.566 1.00 0.00 N ATOM 1570 CA THR A 96 -3.664 -12.246 -3.468 1.00 0.00 C ATOM 1571 C THR A 96 -4.846 -11.284 -3.603 1.00 0.00 C ATOM 1572 O THR A 96 -5.262 -10.958 -4.714 1.00 0.00 O ATOM 1573 CB THR A 96 -4.063 -13.629 -2.950 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.675 -14.517 -3.995 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.580 -13.804 -2.856 1.00 0.00 C ATOM 0 H THR A 96 -2.492 -12.258 -1.731 1.00 0.00 H new ATOM 0 HA THR A 96 -3.264 -12.364 -4.475 1.00 0.00 H new ATOM 0 HB THR A 96 -3.618 -13.791 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.271 -15.295 -4.001 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.809 -14.802 -2.483 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.991 -13.059 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.023 -13.675 -3.844 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.354 -10.856 -2.456 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.480 -9.938 -2.432 1.00 0.00 C ATOM 1585 C TYR A 97 -6.029 -8.510 -2.743 1.00 0.00 C ATOM 1586 O TYR A 97 -6.744 -7.759 -3.405 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.033 -9.987 -1.007 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.216 -9.047 -0.766 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -7.999 -7.697 -0.586 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -9.501 -9.551 -0.729 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -9.113 -6.812 -0.359 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -10.615 -8.667 -0.503 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.366 -7.341 -0.329 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.418 -6.506 -0.115 1.00 0.00 O ATOM 0 H TYR A 97 -5.006 -11.128 -1.537 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.222 -10.221 -3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.342 -11.008 -0.783 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.234 -9.735 -0.309 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.994 -7.303 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.671 -10.608 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -8.957 -5.753 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.625 -9.048 -0.472 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.251 -7.022 -0.120 1.00 0.00 H new ATOM 1604 N LEU A 98 -4.845 -8.176 -2.250 1.00 0.00 N ATOM 1605 CA LEU A 98 -4.291 -6.851 -2.466 1.00 0.00 C ATOM 1606 C LEU A 98 -3.997 -6.663 -3.956 1.00 0.00 C ATOM 1607 O LEU A 98 -4.088 -5.551 -4.475 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.073 -6.626 -1.567 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.231 -5.561 -0.480 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -2.886 -4.172 -1.019 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.631 -5.607 0.134 1.00 0.00 C ATOM 0 H LEU A 98 -4.254 -8.801 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.014 -6.086 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.820 -7.572 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.227 -6.352 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.523 -5.781 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.007 -3.434 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.854 -4.164 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.552 -3.927 -1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.716 -4.840 0.904 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.375 -5.427 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.801 -6.587 0.579 1.00 0.00 H new ATOM 1623 N LYS A 99 -3.652 -7.766 -4.603 1.00 0.00 N ATOM 1624 CA LYS A 99 -3.345 -7.737 -6.023 1.00 0.00 C ATOM 1625 C LYS A 99 -4.233 -6.699 -6.711 1.00 0.00 C ATOM 1626 O LYS A 99 -3.791 -6.007 -7.626 1.00 0.00 O ATOM 1627 CB LYS A 99 -3.458 -9.139 -6.624 1.00 0.00 C ATOM 1628 CG LYS A 99 -3.385 -9.088 -8.152 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.755 -10.440 -8.764 1.00 0.00 C ATOM 1630 CE LYS A 99 -2.913 -10.727 -10.009 1.00 0.00 C ATOM 1631 NZ LYS A 99 -3.392 -9.922 -11.156 1.00 0.00 N ATOM 0 H LYS A 99 -3.578 -8.686 -4.170 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.312 -7.429 -6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.656 -9.769 -6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.399 -9.596 -6.316 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.060 -8.318 -8.526 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.378 -8.808 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.604 -11.230 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.813 -10.447 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.866 -10.498 -9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.966 -11.788 -10.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.810 -10.129 -11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.384 -10.160 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.319 -8.911 -10.925 1.00 0.00 H new ATOM 1645 N LYS A 100 -5.471 -6.622 -6.243 1.00 0.00 N ATOM 1646 CA LYS A 100 -6.425 -5.680 -6.802 1.00 0.00 C ATOM 1647 C LYS A 100 -7.004 -4.820 -5.677 1.00 0.00 C ATOM 1648 O LYS A 100 -6.857 -3.599 -5.686 1.00 0.00 O ATOM 1649 CB LYS A 100 -7.487 -6.416 -7.622 1.00 0.00 C ATOM 1650 CG LYS A 100 -8.197 -5.460 -8.583 1.00 0.00 C ATOM 1651 CD LYS A 100 -7.706 -5.660 -10.018 1.00 0.00 C ATOM 1652 CE LYS A 100 -7.554 -4.318 -10.737 1.00 0.00 C ATOM 1653 NZ LYS A 100 -8.882 -3.752 -11.064 1.00 0.00 N ATOM 0 H LYS A 100 -5.835 -7.197 -5.483 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.930 -5.004 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.021 -7.224 -8.186 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.216 -6.873 -6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.273 -5.625 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.019 -4.430 -8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.749 -6.183 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.409 -6.291 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.000 -3.622 -10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.974 -4.452 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.767 -2.784 -11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.342 -4.341 -11.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.471 -3.732 -10.207 1.00 0.00 H new ATOM 1667 N ALA A 101 -7.651 -5.491 -4.735 1.00 0.00 N ATOM 1668 CA ALA A 101 -8.253 -4.803 -3.606 1.00 0.00 C ATOM 1669 C ALA A 101 -9.601 -4.216 -4.031 1.00 0.00 C ATOM 1670 O ALA A 101 -10.406 -3.828 -3.186 1.00 0.00 O ATOM 1671 CB ALA A 101 -7.290 -3.734 -3.087 1.00 0.00 C ATOM 0 H ALA A 101 -7.771 -6.504 -4.731 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.440 -5.499 -2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.742 -3.218 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.359 -4.205 -2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.082 -3.016 -3.880 1.00 0.00 H new ATOM 1677 N SER A 102 -9.804 -4.171 -5.339 1.00 0.00 N ATOM 1678 CA SER A 102 -11.041 -3.639 -5.886 1.00 0.00 C ATOM 1679 C SER A 102 -12.106 -4.735 -5.935 1.00 0.00 C ATOM 1680 O SER A 102 -13.260 -4.501 -5.579 1.00 0.00 O ATOM 1681 CB SER A 102 -10.818 -3.053 -7.282 1.00 0.00 C ATOM 1682 OG SER A 102 -10.815 -4.060 -8.290 1.00 0.00 O ATOM 0 H SER A 102 -9.133 -4.494 -6.036 1.00 0.00 H new ATOM 0 HA SER A 102 -11.386 -2.836 -5.234 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.600 -2.325 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.869 -2.517 -7.303 1.00 0.00 H new ATOM 0 HG SER A 102 -11.147 -3.682 -9.131 1.00 0.00 H new ATOM 1688 N GLU A 103 -11.682 -5.909 -6.378 1.00 0.00 N ATOM 1689 CA GLU A 103 -12.586 -7.043 -6.478 1.00 0.00 C ATOM 1690 C GLU A 103 -13.888 -6.624 -7.163 1.00 0.00 C ATOM 1691 O GLU A 103 -14.687 -7.473 -7.557 1.00 0.00 O ATOM 1692 CB GLU A 103 -12.860 -7.648 -5.100 1.00 0.00 C ATOM 1693 CG GLU A 103 -13.762 -8.879 -5.211 1.00 0.00 C ATOM 1694 CD GLU A 103 -13.829 -9.632 -3.881 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.766 -10.141 -3.463 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -14.941 -9.681 -3.312 1.00 0.00 O ATOM 0 H GLU A 103 -10.724 -6.100 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 103 -12.109 -7.811 -7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -11.918 -7.925 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -13.332 -6.903 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.764 -8.574 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.384 -9.542 -5.990 1.00 0.00 H new