USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 919 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 93 ASN : amide:sc= -2.18! K(o=-2.1!,f=-4.1) USER MOD Set 1.2: A 95 THR OG1 : rot 180:sc= 0.111 USER MOD Set 2.1: A 51 THR OG1 : rot 79:sc= -0.0336 USER MOD Set 2.2: A 97 MET CE :methyl 147:sc= -0.978 (180deg=-3.24!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 103 THR OG1 : rot -18:sc= 1.23 USER MOD Set 3.3: A 106 GLN : amide:sc= -0.197 K(o=1,f=-7.3!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 4 SER OG : rot -10:sc= 1.76 USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= -0.519 (180deg=-1.71!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 176:sc= 0.0492 USER MOD Single : A 31 SER OG : rot 60:sc= -0.0115 USER MOD Single : A 32 THR OG1 : rot 83:sc= 0.0514 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-0.97) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -43:sc= 0.908 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.56 K(o=-3.6,f=-6.6!) USER MOD Single : A 54 SER OG : rot -32:sc= 0.179 USER MOD Single : A 55 SER OG : rot 180:sc= -0.814 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 175:sc= -0.0421 (180deg=-0.0543) USER MOD Single : A 59 MET CE :methyl -113:sc= -0.0884 (180deg=-2.06!) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= -0.0626 (180deg=-0.198) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 88 MET CE :methyl 164:sc=-0.00705 (180deg=-0.26) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0936 USER MOD Single : A 92 ASN : amide:sc= -4.61! C(o=-4.6!,f=-10!) USER MOD Single : A 99 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.6) USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= -0.21 (180deg=-0.81) USER MOD Single : A 102 MET CE :methyl 173:sc= -2.05 (180deg=-2.07) USER MOD Single : A 105 GLN : amide:sc= -0.164 K(o=-0.16,f=-0.93) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 150:sc= -0.228 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -14.458 9.402 5.941 1.00 0.00 N ATOM 2 CA PRO A 1 -14.991 8.346 5.060 1.00 0.00 C ATOM 3 C PRO A 1 -14.295 8.335 3.700 1.00 0.00 C ATOM 4 O PRO A 1 -14.941 8.206 2.660 1.00 0.00 O ATOM 5 CB PRO A 1 -16.483 8.626 4.903 1.00 0.00 C ATOM 6 CG PRO A 1 -16.658 10.032 5.393 1.00 0.00 C ATOM 7 CD PRO A 1 -15.534 10.307 6.374 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.738 9.932 5.449 1.00 0.00 H new ATOM 0 H3 PRO A 1 -14.013 8.980 6.756 1.00 0.00 H new ATOM 0 HA PRO A 1 -14.814 7.363 5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -16.798 8.526 3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -17.081 7.926 5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -16.624 10.736 4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -17.628 10.154 5.875 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.218 11.350 6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.840 10.102 7.400 1.00 0.00 H new ATOM 17 N SER A 2 -12.973 8.473 3.718 1.00 0.00 N ATOM 18 CA SER A 2 -12.188 8.479 2.488 1.00 0.00 C ATOM 19 C SER A 2 -10.701 8.326 2.791 1.00 0.00 C ATOM 20 O SER A 2 -9.995 7.573 2.118 1.00 0.00 O ATOM 21 CB SER A 2 -12.430 9.773 1.710 1.00 0.00 C ATOM 22 OG SER A 2 -11.805 9.730 0.439 1.00 0.00 O ATOM 0 H SER A 2 -12.423 8.582 4.570 1.00 0.00 H new ATOM 0 HA SER A 2 -12.506 7.632 1.880 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.501 9.931 1.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.046 10.620 2.279 1.00 0.00 H new ATOM 0 HG SER A 2 -11.976 10.569 -0.038 1.00 0.00 H new ATOM 28 N HIS A 3 -10.231 9.043 3.807 1.00 0.00 N ATOM 29 CA HIS A 3 -8.829 8.985 4.199 1.00 0.00 C ATOM 30 C HIS A 3 -8.670 8.319 5.562 1.00 0.00 C ATOM 31 O HIS A 3 -9.558 8.401 6.410 1.00 0.00 O ATOM 32 CB HIS A 3 -8.230 10.393 4.233 1.00 0.00 C ATOM 33 CG HIS A 3 -8.042 10.995 2.875 1.00 0.00 C ATOM 34 ND1 HIS A 3 -9.094 11.353 2.058 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.915 11.304 2.190 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.623 11.853 0.929 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.305 11.835 0.985 1.00 0.00 N ATOM 0 H HIS A 3 -10.802 9.671 4.373 1.00 0.00 H new ATOM 0 HA HIS A 3 -8.296 8.387 3.460 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.879 11.041 4.822 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -7.267 10.357 4.742 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.900 11.160 2.528 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.216 12.215 0.102 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.677 12.163 0.251 1.00 0.00 H new ATOM 46 N SER A 4 -7.534 7.659 5.762 1.00 0.00 N ATOM 47 CA SER A 4 -7.252 6.974 7.018 1.00 0.00 C ATOM 48 C SER A 4 -8.280 5.880 7.289 1.00 0.00 C ATOM 49 O SER A 4 -9.474 6.151 7.423 1.00 0.00 O ATOM 50 CB SER A 4 -7.228 7.969 8.180 1.00 0.00 C ATOM 51 OG SER A 4 -8.538 8.242 8.648 1.00 0.00 O ATOM 0 H SER A 4 -6.791 7.584 5.067 1.00 0.00 H new ATOM 0 HA SER A 4 -6.270 6.509 6.931 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.625 7.567 8.994 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.753 8.896 7.859 1.00 0.00 H new ATOM 0 HG SER A 4 -9.193 7.862 8.026 1.00 0.00 H new ATOM 57 N GLY A 5 -7.803 4.644 7.372 1.00 0.00 N ATOM 58 CA GLY A 5 -8.683 3.520 7.629 1.00 0.00 C ATOM 59 C GLY A 5 -7.929 2.321 8.166 1.00 0.00 C ATOM 60 O GLY A 5 -6.762 2.117 7.830 1.00 0.00 O ATOM 0 H GLY A 5 -6.818 4.400 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.450 3.816 8.344 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.196 3.243 6.708 1.00 0.00 H new ATOM 64 N ALA A 6 -8.585 1.530 9.004 1.00 0.00 N ATOM 65 CA ALA A 6 -7.952 0.354 9.582 1.00 0.00 C ATOM 66 C ALA A 6 -7.614 -0.673 8.513 1.00 0.00 C ATOM 67 O ALA A 6 -8.397 -0.911 7.593 1.00 0.00 O ATOM 68 CB ALA A 6 -8.837 -0.270 10.645 1.00 0.00 C ATOM 0 H ALA A 6 -9.550 1.681 9.297 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.022 0.679 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.342 -1.147 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.019 0.455 11.438 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.787 -0.567 10.200 1.00 0.00 H new ATOM 74 N ALA A 7 -6.441 -1.280 8.641 1.00 0.00 N ATOM 75 CA ALA A 7 -5.994 -2.282 7.685 1.00 0.00 C ATOM 76 C ALA A 7 -4.944 -3.214 8.286 1.00 0.00 C ATOM 77 O ALA A 7 -4.142 -2.800 9.124 1.00 0.00 O ATOM 78 CB ALA A 7 -5.441 -1.606 6.442 1.00 0.00 C ATOM 0 H ALA A 7 -5.783 -1.095 9.398 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.858 -2.889 7.415 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.109 -2.364 5.733 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.219 -0.996 5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.598 -0.973 6.717 1.00 0.00 H new ATOM 84 N ILE A 8 -4.947 -4.473 7.846 1.00 0.00 N ATOM 85 CA ILE A 8 -3.989 -5.458 8.332 1.00 0.00 C ATOM 86 C ILE A 8 -2.803 -5.583 7.391 1.00 0.00 C ATOM 87 O ILE A 8 -2.952 -5.526 6.170 1.00 0.00 O ATOM 88 CB ILE A 8 -4.625 -6.850 8.461 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.915 -6.785 9.261 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.659 -7.844 9.097 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.756 -8.016 9.076 1.00 0.00 C ATOM 0 H ILE A 8 -5.604 -4.832 7.153 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.662 -5.106 9.310 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.857 -7.198 7.455 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.680 -6.662 10.318 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.486 -5.907 8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.139 -8.819 9.174 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.764 -7.928 8.480 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.382 -7.496 10.092 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.668 -7.926 9.666 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.015 -8.125 8.023 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.196 -8.892 9.405 1.00 0.00 H new ATOM 103 N PHE A 9 -1.632 -5.780 7.969 1.00 0.00 N ATOM 104 CA PHE A 9 -0.417 -5.948 7.192 1.00 0.00 C ATOM 105 C PHE A 9 0.504 -6.953 7.873 1.00 0.00 C ATOM 106 O PHE A 9 1.114 -6.657 8.897 1.00 0.00 O ATOM 107 CB PHE A 9 0.292 -4.608 7.006 1.00 0.00 C ATOM 108 CG PHE A 9 1.550 -4.704 6.192 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.521 -5.226 4.910 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.757 -4.272 6.711 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.677 -5.315 4.158 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.917 -4.358 5.965 1.00 0.00 C ATOM 113 CZ PHE A 9 3.878 -4.882 4.687 1.00 0.00 C ATOM 0 H PHE A 9 -1.496 -5.828 8.979 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.683 -6.330 6.206 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.391 -3.909 6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.533 -4.194 7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.585 -5.567 4.493 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.793 -3.863 7.710 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.642 -5.722 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.853 -4.016 6.380 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.784 -4.953 4.103 1.00 0.00 H new ATOM 123 N GLU A 10 0.585 -8.149 7.295 1.00 0.00 N ATOM 124 CA GLU A 10 1.415 -9.222 7.832 1.00 0.00 C ATOM 125 C GLU A 10 0.741 -9.898 9.026 1.00 0.00 C ATOM 126 O GLU A 10 1.361 -10.093 10.072 1.00 0.00 O ATOM 127 CB GLU A 10 2.792 -8.693 8.232 1.00 0.00 C ATOM 128 CG GLU A 10 3.471 -7.874 7.146 1.00 0.00 C ATOM 129 CD GLU A 10 4.876 -7.447 7.526 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.239 -7.588 8.714 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.614 -6.974 6.636 1.00 0.00 O ATOM 0 H GLU A 10 0.079 -8.400 6.445 1.00 0.00 H new ATOM 0 HA GLU A 10 1.542 -9.967 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.690 -8.079 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.433 -9.535 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.510 -8.458 6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.871 -6.989 6.936 1.00 0.00 H new ATOM 138 N LYS A 11 -0.526 -10.278 8.853 1.00 0.00 N ATOM 139 CA LYS A 11 -1.282 -10.958 9.891 1.00 0.00 C ATOM 140 C LYS A 11 -1.461 -10.106 11.146 1.00 0.00 C ATOM 141 O LYS A 11 -1.896 -10.608 12.182 1.00 0.00 O ATOM 142 CB LYS A 11 -0.590 -12.268 10.227 1.00 0.00 C ATOM 143 CG LYS A 11 -0.965 -13.395 9.282 1.00 0.00 C ATOM 144 CD LYS A 11 0.041 -14.533 9.343 1.00 0.00 C ATOM 145 CE LYS A 11 1.416 -14.089 8.872 1.00 0.00 C ATOM 146 NZ LYS A 11 2.311 -13.751 10.013 1.00 0.00 N ATOM 0 H LYS A 11 -1.050 -10.121 7.992 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.284 -11.149 9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.490 -12.120 10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.845 -12.556 11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.956 -13.770 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.022 -13.013 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.108 -14.906 10.365 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.307 -15.360 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.870 -14.882 8.277 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.314 -13.221 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.757 -12.827 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.754 -13.710 10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.048 -14.479 10.104 1.00 0.00 H new ATOM 160 N VAL A 12 -1.162 -8.815 11.047 1.00 0.00 N ATOM 161 CA VAL A 12 -1.333 -7.914 12.165 1.00 0.00 C ATOM 162 C VAL A 12 -2.240 -6.769 11.746 1.00 0.00 C ATOM 163 O VAL A 12 -2.130 -6.264 10.631 1.00 0.00 O ATOM 164 CB VAL A 12 0.014 -7.364 12.675 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.197 -6.394 13.828 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.928 -8.506 13.095 1.00 0.00 C ATOM 0 H VAL A 12 -0.800 -8.376 10.201 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.785 -8.471 12.986 1.00 0.00 H new ATOM 0 HB VAL A 12 0.491 -6.820 11.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.768 -6.020 14.170 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.812 -5.559 13.493 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.699 -6.907 14.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.875 -8.101 13.453 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.453 -9.078 13.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.111 -9.158 12.241 1.00 0.00 H new ATOM 176 N SER A 13 -3.159 -6.384 12.619 1.00 0.00 N ATOM 177 CA SER A 13 -4.097 -5.318 12.294 1.00 0.00 C ATOM 178 C SER A 13 -3.700 -4.001 12.940 1.00 0.00 C ATOM 179 O SER A 13 -3.200 -3.963 14.064 1.00 0.00 O ATOM 180 CB SER A 13 -5.512 -5.706 12.725 1.00 0.00 C ATOM 181 OG SER A 13 -6.461 -4.754 12.278 1.00 0.00 O ATOM 0 H SER A 13 -3.276 -6.788 13.548 1.00 0.00 H new ATOM 0 HA SER A 13 -4.074 -5.180 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.761 -6.688 12.324 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.556 -5.785 13.811 1.00 0.00 H new ATOM 0 HG SER A 13 -7.358 -5.026 12.565 1.00 0.00 H new ATOM 187 N GLY A 14 -3.937 -2.924 12.208 1.00 0.00 N ATOM 188 CA GLY A 14 -3.619 -1.599 12.688 1.00 0.00 C ATOM 189 C GLY A 14 -4.309 -0.534 11.863 1.00 0.00 C ATOM 190 O GLY A 14 -5.035 -0.850 10.920 1.00 0.00 O ATOM 0 H GLY A 14 -4.350 -2.948 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.921 -1.506 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.540 -1.447 12.653 1.00 0.00 H new ATOM 194 N ILE A 15 -4.093 0.727 12.207 1.00 0.00 N ATOM 195 CA ILE A 15 -4.711 1.820 11.475 1.00 0.00 C ATOM 196 C ILE A 15 -3.811 2.308 10.349 1.00 0.00 C ATOM 197 O ILE A 15 -2.638 2.621 10.560 1.00 0.00 O ATOM 198 CB ILE A 15 -5.074 2.990 12.411 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.124 2.518 13.429 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.571 4.191 11.608 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.425 3.298 13.402 1.00 0.00 C ATOM 0 H ILE A 15 -3.498 1.017 12.983 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.632 1.434 11.038 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.184 3.312 12.952 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.342 1.466 13.245 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.697 2.584 14.429 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.822 5.005 12.288 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.790 4.519 10.922 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.457 3.907 11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.106 2.896 14.152 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.225 4.347 13.619 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.881 3.212 12.416 1.00 0.00 H new ATOM 213 N ILE A 16 -4.376 2.362 9.151 1.00 0.00 N ATOM 214 CA ILE A 16 -3.650 2.801 7.972 1.00 0.00 C ATOM 215 C ILE A 16 -4.015 4.244 7.629 1.00 0.00 C ATOM 216 O ILE A 16 -5.167 4.547 7.323 1.00 0.00 O ATOM 217 CB ILE A 16 -3.959 1.865 6.771 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.800 0.890 6.550 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.246 2.663 5.500 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.912 0.072 5.279 1.00 0.00 C ATOM 0 H ILE A 16 -5.346 2.104 8.971 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.582 2.755 8.184 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.857 1.295 7.009 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.866 1.452 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.742 0.212 7.402 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.458 1.977 4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.108 3.310 5.664 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.377 3.272 5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.052 -0.593 5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.827 -0.520 5.306 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.937 0.740 4.418 1.00 0.00 H new ATOM 232 N ALA A 17 -3.027 5.130 7.686 1.00 0.00 N ATOM 233 CA ALA A 17 -3.247 6.536 7.383 1.00 0.00 C ATOM 234 C ALA A 17 -2.582 6.921 6.069 1.00 0.00 C ATOM 235 O ALA A 17 -1.494 6.443 5.749 1.00 0.00 O ATOM 236 CB ALA A 17 -2.729 7.411 8.514 1.00 0.00 C ATOM 0 H ALA A 17 -2.067 4.898 7.939 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.320 6.696 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.901 8.459 8.271 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.253 7.161 9.437 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.661 7.240 8.646 1.00 0.00 H new ATOM 242 N ILE A 18 -3.244 7.784 5.310 1.00 0.00 N ATOM 243 CA ILE A 18 -2.721 8.232 4.033 1.00 0.00 C ATOM 244 C ILE A 18 -2.254 9.682 4.121 1.00 0.00 C ATOM 245 O ILE A 18 -3.065 10.603 4.219 1.00 0.00 O ATOM 246 CB ILE A 18 -3.792 8.074 2.926 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.604 6.745 2.195 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.753 9.235 1.943 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.808 6.329 1.380 1.00 0.00 C ATOM 0 H ILE A 18 -4.147 8.187 5.560 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.862 7.611 3.777 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.772 8.079 3.403 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.738 6.821 1.537 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.383 5.966 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.518 9.091 1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.941 10.168 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.772 9.278 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.604 5.378 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.672 6.221 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.017 7.088 0.627 1.00 0.00 H new ATOM 261 N ASN A 19 -0.940 9.876 4.084 1.00 0.00 N ATOM 262 CA ASN A 19 -0.366 11.213 4.157 1.00 0.00 C ATOM 263 C ASN A 19 0.210 11.624 2.808 1.00 0.00 C ATOM 264 O ASN A 19 1.226 11.088 2.365 1.00 0.00 O ATOM 265 CB ASN A 19 0.725 11.265 5.229 1.00 0.00 C ATOM 266 CG ASN A 19 0.179 11.021 6.622 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.022 11.143 6.860 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.063 10.677 7.551 1.00 0.00 N ATOM 0 H ASN A 19 -0.254 9.125 4.004 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.159 11.911 4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.487 10.519 5.005 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.214 12.239 5.199 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.756 10.502 8.508 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.050 10.588 7.308 1.00 0.00 H new ATOM 275 N GLU A 20 -0.446 12.578 2.157 1.00 0.00 N ATOM 276 CA GLU A 20 0.001 13.057 0.856 1.00 0.00 C ATOM 277 C GLU A 20 0.922 14.266 1.000 1.00 0.00 C ATOM 278 O GLU A 20 1.622 14.638 0.058 1.00 0.00 O ATOM 279 CB GLU A 20 -1.198 13.416 -0.022 1.00 0.00 C ATOM 280 CG GLU A 20 -2.104 12.232 -0.325 1.00 0.00 C ATOM 281 CD GLU A 20 -3.248 12.595 -1.254 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.473 13.803 -1.476 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.918 11.669 -1.756 1.00 0.00 O ATOM 0 H GLU A 20 -1.288 13.034 2.509 1.00 0.00 H new ATOM 0 HA GLU A 20 0.563 12.253 0.380 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.781 14.192 0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.838 13.837 -0.961 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.514 11.434 -0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.509 11.841 0.608 1.00 0.00 H new ATOM 290 N ASP A 21 0.924 14.875 2.184 1.00 0.00 N ATOM 291 CA ASP A 21 1.769 16.037 2.441 1.00 0.00 C ATOM 292 C ASP A 21 3.227 15.727 2.113 1.00 0.00 C ATOM 293 O ASP A 21 4.017 16.630 1.837 1.00 0.00 O ATOM 294 CB ASP A 21 1.643 16.474 3.902 1.00 0.00 C ATOM 295 CG ASP A 21 2.353 17.786 4.175 1.00 0.00 C ATOM 296 OD1 ASP A 21 1.747 18.851 3.928 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.512 17.750 4.635 1.00 0.00 O ATOM 0 H ASP A 21 0.352 14.584 2.977 1.00 0.00 H new ATOM 0 HA ASP A 21 1.434 16.851 1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.588 16.574 4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.056 15.699 4.547 1.00 0.00 H new ATOM 302 N VAL A 22 3.571 14.445 2.140 1.00 0.00 N ATOM 303 CA VAL A 22 4.923 14.008 1.843 1.00 0.00 C ATOM 304 C VAL A 22 5.145 13.903 0.339 1.00 0.00 C ATOM 305 O VAL A 22 4.200 13.704 -0.424 1.00 0.00 O ATOM 306 CB VAL A 22 5.238 12.651 2.485 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.735 12.494 2.699 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.482 12.474 3.795 1.00 0.00 C ATOM 0 H VAL A 22 2.925 13.688 2.366 1.00 0.00 H new ATOM 0 HA VAL A 22 5.592 14.760 2.262 1.00 0.00 H new ATOM 0 HB VAL A 22 4.906 11.870 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.938 11.525 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.248 12.558 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.094 13.286 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.725 11.503 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.769 13.263 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.410 12.529 3.607 1.00 0.00 H new ATOM 318 N SER A 23 6.397 14.035 -0.080 1.00 0.00 N ATOM 319 CA SER A 23 6.738 13.952 -1.494 1.00 0.00 C ATOM 320 C SER A 23 8.003 13.117 -1.698 1.00 0.00 C ATOM 321 O SER A 23 9.102 13.560 -1.374 1.00 0.00 O ATOM 322 CB SER A 23 6.940 15.353 -2.074 1.00 0.00 C ATOM 323 OG SER A 23 7.345 16.268 -1.072 1.00 0.00 O ATOM 0 H SER A 23 7.192 14.200 0.538 1.00 0.00 H new ATOM 0 HA SER A 23 5.913 13.466 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.691 15.318 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.013 15.697 -2.531 1.00 0.00 H new ATOM 0 HG SER A 23 7.469 17.155 -1.470 1.00 0.00 H new ATOM 329 N PRO A 24 7.866 11.889 -2.240 1.00 0.00 N ATOM 330 CA PRO A 24 6.573 11.319 -2.643 1.00 0.00 C ATOM 331 C PRO A 24 5.702 10.948 -1.447 1.00 0.00 C ATOM 332 O PRO A 24 6.206 10.575 -0.389 1.00 0.00 O ATOM 333 CB PRO A 24 6.968 10.065 -3.423 1.00 0.00 C ATOM 334 CG PRO A 24 8.291 9.676 -2.864 1.00 0.00 C ATOM 335 CD PRO A 24 8.981 10.961 -2.501 1.00 0.00 C ATOM 0 HA PRO A 24 5.978 12.028 -3.218 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.234 9.270 -3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.033 10.267 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.172 9.036 -1.989 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.873 9.113 -3.594 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.617 10.841 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.618 11.317 -3.311 1.00 0.00 H new ATOM 343 N ALA A 25 4.388 11.050 -1.628 1.00 0.00 N ATOM 344 CA ALA A 25 3.439 10.722 -0.568 1.00 0.00 C ATOM 345 C ALA A 25 3.677 9.312 -0.038 1.00 0.00 C ATOM 346 O ALA A 25 4.428 8.538 -0.630 1.00 0.00 O ATOM 347 CB ALA A 25 2.012 10.860 -1.077 1.00 0.00 C ATOM 0 H ALA A 25 3.956 11.357 -2.499 1.00 0.00 H new ATOM 0 HA ALA A 25 3.591 11.423 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.315 10.613 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.840 11.885 -1.404 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.858 10.181 -1.916 1.00 0.00 H new ATOM 353 N GLU A 26 3.039 8.983 1.082 1.00 0.00 N ATOM 354 CA GLU A 26 3.195 7.662 1.685 1.00 0.00 C ATOM 355 C GLU A 26 2.009 7.313 2.581 1.00 0.00 C ATOM 356 O GLU A 26 1.340 8.196 3.119 1.00 0.00 O ATOM 357 CB GLU A 26 4.490 7.604 2.497 1.00 0.00 C ATOM 358 CG GLU A 26 5.743 7.835 1.667 1.00 0.00 C ATOM 359 CD GLU A 26 7.017 7.632 2.465 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.935 7.555 3.708 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.099 7.552 1.844 1.00 0.00 O ATOM 0 H GLU A 26 2.412 9.609 1.588 1.00 0.00 H new ATOM 0 HA GLU A 26 3.237 6.931 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.446 8.352 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.561 6.631 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.740 7.155 0.815 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.727 8.849 1.266 1.00 0.00 H new ATOM 368 N LEU A 27 1.764 6.016 2.742 1.00 0.00 N ATOM 369 CA LEU A 27 0.669 5.535 3.580 1.00 0.00 C ATOM 370 C LEU A 27 1.220 4.876 4.843 1.00 0.00 C ATOM 371 O LEU A 27 1.955 3.893 4.771 1.00 0.00 O ATOM 372 CB LEU A 27 -0.197 4.544 2.802 1.00 0.00 C ATOM 373 CG LEU A 27 -1.398 3.991 3.569 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.478 3.525 2.605 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.966 2.850 4.477 1.00 0.00 C ATOM 0 H LEU A 27 2.311 5.276 2.302 1.00 0.00 H new ATOM 0 HA LEU A 27 0.052 6.386 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.557 5.033 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.428 3.709 2.486 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.811 4.788 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.325 3.134 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.806 4.365 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.078 2.741 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.832 2.467 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.530 2.052 3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.226 3.213 5.190 1.00 0.00 H new ATOM 387 N THR A 28 0.880 5.439 5.997 1.00 0.00 N ATOM 388 CA THR A 28 1.347 4.944 7.267 1.00 0.00 C ATOM 389 C THR A 28 0.436 3.851 7.824 1.00 0.00 C ATOM 390 O THR A 28 -0.777 3.874 7.623 1.00 0.00 O ATOM 391 CB THR A 28 1.409 6.114 8.236 1.00 0.00 C ATOM 392 OG1 THR A 28 1.293 7.346 7.544 1.00 0.00 O ATOM 393 CG2 THR A 28 2.687 6.159 9.023 1.00 0.00 C ATOM 0 H THR A 28 0.270 6.254 6.068 1.00 0.00 H new ATOM 0 HA THR A 28 2.333 4.498 7.132 1.00 0.00 H new ATOM 0 HB THR A 28 0.576 5.966 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.269 8.083 8.190 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.670 7.016 9.696 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.789 5.243 9.605 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.532 6.251 8.340 1.00 0.00 H new ATOM 401 N TRP A 29 1.038 2.905 8.537 1.00 0.00 N ATOM 402 CA TRP A 29 0.305 1.809 9.147 1.00 0.00 C ATOM 403 C TRP A 29 0.729 1.630 10.597 1.00 0.00 C ATOM 404 O TRP A 29 1.841 1.185 10.878 1.00 0.00 O ATOM 405 CB TRP A 29 0.550 0.503 8.392 1.00 0.00 C ATOM 406 CG TRP A 29 -0.178 -0.653 9.001 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.509 -0.710 9.275 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.376 -1.904 9.430 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.829 -1.926 9.831 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.687 -2.674 9.936 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.663 -2.455 9.430 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.506 -3.956 10.435 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.840 -3.735 9.929 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.757 -4.473 10.424 1.00 0.00 C ATOM 0 H TRP A 29 2.044 2.879 8.706 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.756 2.054 9.103 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.235 0.621 7.355 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.619 0.289 8.378 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.213 0.086 9.083 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.762 -2.222 10.118 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.502 -1.893 9.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.338 -4.527 10.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.828 -4.171 9.937 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.925 -5.470 10.804 1.00 0.00 H new ATOM 425 N ARG A 30 -0.163 1.963 11.516 1.00 0.00 N ATOM 426 CA ARG A 30 0.128 1.817 12.935 1.00 0.00 C ATOM 427 C ARG A 30 -0.598 0.601 13.495 1.00 0.00 C ATOM 428 O ARG A 30 -1.808 0.463 13.320 1.00 0.00 O ATOM 429 CB ARG A 30 -0.283 3.076 13.701 1.00 0.00 C ATOM 430 CG ARG A 30 0.644 4.258 13.474 1.00 0.00 C ATOM 431 CD ARG A 30 0.202 5.474 14.273 1.00 0.00 C ATOM 432 NE ARG A 30 -1.169 5.866 13.958 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.512 6.556 12.873 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.589 6.931 11.996 1.00 0.00 N ATOM 435 NH2 ARG A 30 -2.784 6.871 12.663 1.00 0.00 N ATOM 0 H ARG A 30 -1.090 2.334 11.308 1.00 0.00 H new ATOM 0 HA ARG A 30 1.202 1.675 13.056 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.294 3.356 13.406 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.313 2.849 14.767 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.660 3.985 13.758 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.665 4.507 12.413 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.281 5.256 15.338 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.874 6.307 14.067 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.907 5.595 14.608 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.390 6.690 12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.859 7.460 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.498 6.584 13.333 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.048 7.400 11.832 1.00 0.00 H new ATOM 449 N SER A 31 0.137 -0.283 14.162 1.00 0.00 N ATOM 450 CA SER A 31 -0.457 -1.482 14.729 1.00 0.00 C ATOM 451 C SER A 31 -1.517 -1.121 15.758 1.00 0.00 C ATOM 452 O SER A 31 -1.526 -0.015 16.296 1.00 0.00 O ATOM 453 CB SER A 31 0.621 -2.363 15.363 1.00 0.00 C ATOM 454 OG SER A 31 0.059 -3.270 16.296 1.00 0.00 O ATOM 0 H SER A 31 1.140 -0.190 14.321 1.00 0.00 H new ATOM 0 HA SER A 31 -0.935 -2.041 13.924 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.146 -2.917 14.585 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.360 -1.736 15.862 1.00 0.00 H new ATOM 0 HG SER A 31 -0.590 -3.847 15.841 1.00 0.00 H new ATOM 460 N THR A 32 -2.400 -2.068 16.034 1.00 0.00 N ATOM 461 CA THR A 32 -3.458 -1.873 16.999 1.00 0.00 C ATOM 462 C THR A 32 -2.866 -1.560 18.365 1.00 0.00 C ATOM 463 O THR A 32 -3.444 -0.820 19.161 1.00 0.00 O ATOM 464 CB THR A 32 -4.297 -3.145 17.052 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.369 -3.085 16.129 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.874 -3.438 18.410 1.00 0.00 C ATOM 0 H THR A 32 -2.399 -2.988 15.594 1.00 0.00 H new ATOM 0 HA THR A 32 -4.087 -1.032 16.707 1.00 0.00 H new ATOM 0 HB THR A 32 -3.603 -3.946 16.798 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.049 -3.342 15.239 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.457 -4.358 18.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.065 -3.555 19.131 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.518 -2.614 18.717 1.00 0.00 H new ATOM 474 N ASP A 33 -1.705 -2.140 18.616 1.00 0.00 N ATOM 475 CA ASP A 33 -1.006 -1.946 19.878 1.00 0.00 C ATOM 476 C ASP A 33 -0.406 -0.551 19.964 1.00 0.00 C ATOM 477 O ASP A 33 -0.308 0.034 21.042 1.00 0.00 O ATOM 478 CB ASP A 33 0.092 -2.998 20.045 1.00 0.00 C ATOM 479 CG ASP A 33 -0.466 -4.406 20.153 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.677 -4.545 20.425 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.309 -5.367 19.967 1.00 0.00 O ATOM 0 H ASP A 33 -1.223 -2.753 17.959 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.732 -2.057 20.684 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.774 -2.945 19.197 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.675 -2.772 20.938 1.00 0.00 H new ATOM 486 N GLY A 34 0.000 -0.028 18.817 1.00 0.00 N ATOM 487 CA GLY A 34 0.594 1.293 18.768 1.00 0.00 C ATOM 488 C GLY A 34 2.072 1.262 19.090 1.00 0.00 C ATOM 489 O GLY A 34 2.639 2.257 19.545 1.00 0.00 O ATOM 0 H GLY A 34 -0.072 -0.497 17.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.448 1.720 17.776 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.083 1.947 19.474 1.00 0.00 H new ATOM 493 N ASP A 35 2.695 0.114 18.853 1.00 0.00 N ATOM 494 CA ASP A 35 4.117 -0.053 19.119 1.00 0.00 C ATOM 495 C ASP A 35 4.907 -0.203 17.822 1.00 0.00 C ATOM 496 O ASP A 35 6.115 0.029 17.790 1.00 0.00 O ATOM 497 CB ASP A 35 4.351 -1.270 20.016 1.00 0.00 C ATOM 498 CG ASP A 35 5.801 -1.409 20.439 1.00 0.00 C ATOM 499 OD1 ASP A 35 6.563 -0.433 20.275 1.00 0.00 O ATOM 500 OD2 ASP A 35 6.173 -2.493 20.933 1.00 0.00 O ATOM 0 H ASP A 35 2.236 -0.716 18.477 1.00 0.00 H new ATOM 0 HA ASP A 35 4.468 0.842 19.632 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.723 -1.190 20.903 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.042 -2.172 19.487 1.00 0.00 H new ATOM 505 N LYS A 36 4.218 -0.590 16.754 1.00 0.00 N ATOM 506 CA LYS A 36 4.856 -0.768 15.456 1.00 0.00 C ATOM 507 C LYS A 36 4.179 0.097 14.400 1.00 0.00 C ATOM 508 O LYS A 36 2.964 0.035 14.218 1.00 0.00 O ATOM 509 CB LYS A 36 4.811 -2.240 15.038 1.00 0.00 C ATOM 510 CG LYS A 36 6.150 -2.949 15.165 1.00 0.00 C ATOM 511 CD LYS A 36 6.450 -3.317 16.609 1.00 0.00 C ATOM 512 CE LYS A 36 7.753 -4.089 16.728 1.00 0.00 C ATOM 513 NZ LYS A 36 7.670 -5.166 17.754 1.00 0.00 N ATOM 0 H LYS A 36 3.217 -0.786 16.762 1.00 0.00 H new ATOM 0 HA LYS A 36 5.897 -0.458 15.542 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.074 -2.761 15.650 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.471 -2.306 14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.145 -3.850 14.552 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.941 -2.306 14.780 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.506 -2.411 17.212 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.633 -3.917 17.010 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.005 -4.527 15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.559 -3.403 16.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.579 -5.669 17.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.455 -4.747 18.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.918 -5.836 17.494 1.00 0.00 H new ATOM 527 N VAL A 37 4.975 0.905 13.707 1.00 0.00 N ATOM 528 CA VAL A 37 4.451 1.782 12.670 1.00 0.00 C ATOM 529 C VAL A 37 5.166 1.554 11.344 1.00 0.00 C ATOM 530 O VAL A 37 6.382 1.712 11.246 1.00 0.00 O ATOM 531 CB VAL A 37 4.590 3.265 13.068 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.928 4.166 12.035 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.998 3.501 14.449 1.00 0.00 C ATOM 0 H VAL A 37 5.983 0.970 13.846 1.00 0.00 H new ATOM 0 HA VAL A 37 3.394 1.541 12.555 1.00 0.00 H new ATOM 0 HB VAL A 37 5.651 3.514 13.101 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.038 5.208 12.337 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.402 4.017 11.065 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.869 3.920 11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.104 4.553 14.715 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.941 3.233 14.443 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.524 2.887 15.180 1.00 0.00 H new ATOM 543 N HIS A 38 4.399 1.182 10.326 1.00 0.00 N ATOM 544 CA HIS A 38 4.958 0.931 8.999 1.00 0.00 C ATOM 545 C HIS A 38 4.552 2.020 8.021 1.00 0.00 C ATOM 546 O HIS A 38 3.432 2.519 8.055 1.00 0.00 O ATOM 547 CB HIS A 38 4.513 -0.423 8.461 1.00 0.00 C ATOM 548 CG HIS A 38 5.134 -0.780 7.146 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.974 -1.860 6.975 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.025 -0.196 5.929 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.355 -1.924 5.712 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.793 -0.927 5.056 1.00 0.00 N ATOM 0 H HIS A 38 3.390 1.047 10.392 1.00 0.00 H new ATOM 0 HA HIS A 38 6.043 0.931 9.102 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.760 -1.194 9.191 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.428 -0.423 8.353 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.443 0.681 5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.015 -2.667 5.288 1.00 0.00 H new ATOM 0 HE2 HIS A 38 5.910 -0.731 4.062 1.00 0.00 H new ATOM 561 N THR A 39 5.475 2.375 7.150 1.00 0.00 N ATOM 562 CA THR A 39 5.228 3.406 6.148 1.00 0.00 C ATOM 563 C THR A 39 5.285 2.817 4.742 1.00 0.00 C ATOM 564 O THR A 39 6.212 2.083 4.402 1.00 0.00 O ATOM 565 CB THR A 39 6.246 4.538 6.285 1.00 0.00 C ATOM 566 OG1 THR A 39 6.403 4.910 7.643 1.00 0.00 O ATOM 567 CG2 THR A 39 5.865 5.782 5.511 1.00 0.00 C ATOM 0 H THR A 39 6.409 1.966 7.112 1.00 0.00 H new ATOM 0 HA THR A 39 4.229 3.809 6.314 1.00 0.00 H new ATOM 0 HB THR A 39 7.175 4.142 5.873 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.060 5.634 7.710 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.630 6.546 5.651 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.783 5.540 4.451 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.907 6.156 5.873 1.00 0.00 H new ATOM 575 N VAL A 40 4.283 3.141 3.931 1.00 0.00 N ATOM 576 CA VAL A 40 4.214 2.641 2.563 1.00 0.00 C ATOM 577 C VAL A 40 4.438 3.760 1.554 1.00 0.00 C ATOM 578 O VAL A 40 3.942 4.873 1.725 1.00 0.00 O ATOM 579 CB VAL A 40 2.854 1.979 2.278 1.00 0.00 C ATOM 580 CG1 VAL A 40 2.864 1.291 0.923 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.495 0.996 3.381 1.00 0.00 C ATOM 0 H VAL A 40 3.508 3.748 4.198 1.00 0.00 H new ATOM 0 HA VAL A 40 5.005 1.898 2.459 1.00 0.00 H new ATOM 0 HB VAL A 40 2.092 2.758 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.893 0.830 0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.068 2.025 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.638 0.524 0.910 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.530 0.539 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.259 0.221 3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.438 1.523 4.334 1.00 0.00 H new ATOM 591 N VAL A 41 5.184 3.456 0.496 1.00 0.00 N ATOM 592 CA VAL A 41 5.466 4.436 -0.545 1.00 0.00 C ATOM 593 C VAL A 41 4.457 4.327 -1.681 1.00 0.00 C ATOM 594 O VAL A 41 4.306 3.269 -2.292 1.00 0.00 O ATOM 595 CB VAL A 41 6.886 4.260 -1.113 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.231 5.403 -2.057 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.904 4.164 0.014 1.00 0.00 C ATOM 0 H VAL A 41 5.603 2.540 0.338 1.00 0.00 H new ATOM 0 HA VAL A 41 5.390 5.421 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 41 6.917 3.330 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.238 5.261 -2.448 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.520 5.420 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.182 6.348 -1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.902 4.040 -0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.873 5.075 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.668 3.308 0.646 1.00 0.00 H new ATOM 607 N LEU A 42 3.763 5.425 -1.954 1.00 0.00 N ATOM 608 CA LEU A 42 2.759 5.453 -3.013 1.00 0.00 C ATOM 609 C LEU A 42 3.385 5.779 -4.369 1.00 0.00 C ATOM 610 O LEU A 42 2.740 5.632 -5.407 1.00 0.00 O ATOM 611 CB LEU A 42 1.672 6.475 -2.679 1.00 0.00 C ATOM 612 CG LEU A 42 1.135 6.405 -1.247 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.008 7.390 -1.055 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.688 4.987 -0.913 1.00 0.00 C ATOM 0 H LEU A 42 3.876 6.309 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 42 2.314 4.460 -3.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.069 7.475 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.840 6.337 -3.370 1.00 0.00 H new ATOM 0 HG LEU A 42 1.939 6.680 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.376 7.325 -0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.347 8.402 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.815 7.150 -1.747 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.309 4.956 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.100 4.682 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.535 4.307 -1.007 1.00 0.00 H new ATOM 626 N SER A 43 4.640 6.218 -4.358 1.00 0.00 N ATOM 627 CA SER A 43 5.340 6.555 -5.592 1.00 0.00 C ATOM 628 C SER A 43 5.856 5.297 -6.278 1.00 0.00 C ATOM 629 O SER A 43 6.043 5.272 -7.494 1.00 0.00 O ATOM 630 CB SER A 43 6.501 7.508 -5.304 1.00 0.00 C ATOM 631 OG SER A 43 7.413 7.545 -6.387 1.00 0.00 O ATOM 0 H SER A 43 5.192 6.348 -3.510 1.00 0.00 H new ATOM 0 HA SER A 43 4.635 7.051 -6.259 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.115 8.510 -5.116 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.019 7.191 -4.399 1.00 0.00 H new ATOM 0 HG SER A 43 8.145 8.163 -6.178 1.00 0.00 H new ATOM 637 N THR A 44 6.082 4.251 -5.489 1.00 0.00 N ATOM 638 CA THR A 44 6.574 2.989 -6.024 1.00 0.00 C ATOM 639 C THR A 44 5.420 2.038 -6.339 1.00 0.00 C ATOM 640 O THR A 44 5.624 0.836 -6.508 1.00 0.00 O ATOM 641 CB THR A 44 7.536 2.331 -5.035 1.00 0.00 C ATOM 642 OG1 THR A 44 8.118 1.169 -5.599 1.00 0.00 O ATOM 643 CG2 THR A 44 6.878 1.929 -3.732 1.00 0.00 C ATOM 0 H THR A 44 5.932 4.253 -4.480 1.00 0.00 H new ATOM 0 HA THR A 44 7.106 3.203 -6.951 1.00 0.00 H new ATOM 0 HB THR A 44 8.291 3.088 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.431 0.656 -6.073 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.618 1.469 -3.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.463 2.812 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.078 1.216 -3.933 1.00 0.00 H new ATOM 651 N ILE A 45 4.206 2.581 -6.417 1.00 0.00 N ATOM 652 CA ILE A 45 3.027 1.778 -6.712 1.00 0.00 C ATOM 653 C ILE A 45 2.618 1.921 -8.172 1.00 0.00 C ATOM 654 O ILE A 45 1.873 2.832 -8.533 1.00 0.00 O ATOM 655 CB ILE A 45 1.838 2.177 -5.816 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.265 2.208 -4.347 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.677 1.213 -6.014 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.870 0.908 -3.863 1.00 0.00 C ATOM 0 H ILE A 45 4.016 3.574 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 45 3.292 0.740 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 45 1.508 3.176 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.989 3.011 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.398 2.447 -3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.155 1.509 -5.374 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.359 1.236 -7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.994 0.203 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.149 1.005 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.141 0.105 -3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.756 0.677 -4.454 1.00 0.00 H new ATOM 670 N ASP A 46 3.109 1.012 -9.007 1.00 0.00 N ATOM 671 CA ASP A 46 2.793 1.034 -10.429 1.00 0.00 C ATOM 672 C ASP A 46 1.289 0.914 -10.647 1.00 0.00 C ATOM 673 O ASP A 46 0.744 1.466 -11.603 1.00 0.00 O ATOM 674 CB ASP A 46 3.517 -0.102 -11.153 1.00 0.00 C ATOM 675 CG ASP A 46 3.417 0.015 -12.661 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.036 1.099 -13.149 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.720 -0.979 -13.355 1.00 0.00 O ATOM 0 H ASP A 46 3.727 0.252 -8.723 1.00 0.00 H new ATOM 0 HA ASP A 46 3.130 1.986 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.567 -0.104 -10.861 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.096 -1.057 -10.837 1.00 0.00 H new ATOM 682 N LYS A 47 0.623 0.191 -9.751 1.00 0.00 N ATOM 683 CA LYS A 47 -0.819 -0.003 -9.844 1.00 0.00 C ATOM 684 C LYS A 47 -1.394 -0.479 -8.514 1.00 0.00 C ATOM 685 O LYS A 47 -0.653 -0.828 -7.596 1.00 0.00 O ATOM 686 CB LYS A 47 -1.155 -1.014 -10.944 1.00 0.00 C ATOM 687 CG LYS A 47 -1.022 -0.454 -12.351 1.00 0.00 C ATOM 688 CD LYS A 47 -1.731 -1.334 -13.368 1.00 0.00 C ATOM 689 CE LYS A 47 -1.033 -2.673 -13.529 1.00 0.00 C ATOM 690 NZ LYS A 47 -1.556 -3.436 -14.697 1.00 0.00 N ATOM 0 H LYS A 47 1.060 -0.270 -8.953 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.269 0.958 -10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.499 -1.879 -10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.175 -1.369 -10.799 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.440 0.552 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.033 -0.370 -12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.762 -1.496 -13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.767 -0.823 -14.330 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.038 -2.512 -13.651 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.165 -3.263 -12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.054 -4.344 -14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.573 -3.613 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.407 -2.885 -15.566 1.00 0.00 H new ATOM 704 N LEU A 48 -2.719 -0.494 -8.423 1.00 0.00 N ATOM 705 CA LEU A 48 -3.396 -0.932 -7.209 1.00 0.00 C ATOM 706 C LEU A 48 -4.353 -2.084 -7.508 1.00 0.00 C ATOM 707 O LEU A 48 -5.117 -2.034 -8.471 1.00 0.00 O ATOM 708 CB LEU A 48 -4.163 0.232 -6.577 1.00 0.00 C ATOM 709 CG LEU A 48 -5.297 0.803 -7.434 1.00 0.00 C ATOM 710 CD1 LEU A 48 -6.593 0.858 -6.641 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.930 2.185 -7.954 1.00 0.00 C ATOM 0 H LEU A 48 -3.345 -0.208 -9.176 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.640 -1.282 -6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.579 -0.101 -5.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.458 1.033 -6.354 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.446 0.142 -8.288 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.386 1.266 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.866 -0.147 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.458 1.494 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.748 2.574 -8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.751 2.855 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.028 2.117 -8.562 1.00 0.00 H new ATOM 723 N GLN A 49 -4.301 -3.121 -6.679 1.00 0.00 N ATOM 724 CA GLN A 49 -5.161 -4.285 -6.858 1.00 0.00 C ATOM 725 C GLN A 49 -5.994 -4.543 -5.606 1.00 0.00 C ATOM 726 O GLN A 49 -5.571 -4.231 -4.492 1.00 0.00 O ATOM 727 CB GLN A 49 -4.322 -5.519 -7.190 1.00 0.00 C ATOM 728 CG GLN A 49 -3.940 -5.616 -8.659 1.00 0.00 C ATOM 729 CD GLN A 49 -3.107 -4.436 -9.123 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.346 -3.857 -8.350 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.251 -4.077 -10.393 1.00 0.00 N ATOM 0 H GLN A 49 -3.673 -3.179 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.838 -4.082 -7.688 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.414 -5.504 -6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.878 -6.413 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.383 -6.538 -8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.845 -5.677 -9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.895 -4.587 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.718 -3.291 -10.764 1.00 0.00 H new ATOM 740 N ALA A 50 -7.178 -5.115 -5.796 1.00 0.00 N ATOM 741 CA ALA A 50 -8.069 -5.415 -4.683 1.00 0.00 C ATOM 742 C ALA A 50 -8.779 -6.748 -4.892 1.00 0.00 C ATOM 743 O ALA A 50 -8.859 -7.252 -6.012 1.00 0.00 O ATOM 744 CB ALA A 50 -9.085 -4.298 -4.504 1.00 0.00 C ATOM 0 H ALA A 50 -7.542 -5.380 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.466 -5.492 -3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.744 -4.536 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.565 -3.362 -4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.676 -4.194 -5.414 1.00 0.00 H new ATOM 750 N THR A 51 -9.293 -7.315 -3.805 1.00 0.00 N ATOM 751 CA THR A 51 -9.998 -8.590 -3.869 1.00 0.00 C ATOM 752 C THR A 51 -11.344 -8.433 -4.573 1.00 0.00 C ATOM 753 O THR A 51 -11.957 -7.366 -4.527 1.00 0.00 O ATOM 754 CB THR A 51 -10.208 -9.151 -2.461 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.660 -8.138 -1.580 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.955 -9.753 -1.865 1.00 0.00 C ATOM 0 H THR A 51 -9.234 -6.912 -2.870 1.00 0.00 H new ATOM 0 HA THR A 51 -9.387 -9.287 -4.443 1.00 0.00 H new ATOM 0 HB THR A 51 -10.953 -9.939 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.619 -7.988 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.173 -10.132 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.609 -10.571 -2.496 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.179 -8.990 -1.802 1.00 0.00 H new ATOM 764 N PRO A 52 -11.822 -9.499 -5.237 1.00 0.00 N ATOM 765 CA PRO A 52 -13.102 -9.475 -5.954 1.00 0.00 C ATOM 766 C PRO A 52 -14.294 -9.357 -5.010 1.00 0.00 C ATOM 767 O PRO A 52 -14.215 -9.740 -3.843 1.00 0.00 O ATOM 768 CB PRO A 52 -13.130 -10.820 -6.684 1.00 0.00 C ATOM 769 CG PRO A 52 -12.231 -11.703 -5.890 1.00 0.00 C ATOM 770 CD PRO A 52 -11.154 -10.810 -5.342 1.00 0.00 C ATOM 0 HA PRO A 52 -13.178 -8.614 -6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.141 -11.224 -6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.780 -10.720 -7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.778 -12.194 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.806 -12.490 -6.513 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.797 -11.158 -4.373 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.289 -10.769 -6.004 1.00 0.00 H new ATOM 778 N ALA A 53 -15.399 -8.824 -5.525 1.00 0.00 N ATOM 779 CA ALA A 53 -16.609 -8.656 -4.730 1.00 0.00 C ATOM 780 C ALA A 53 -17.210 -10.002 -4.332 1.00 0.00 C ATOM 781 O ALA A 53 -18.059 -10.074 -3.445 1.00 0.00 O ATOM 782 CB ALA A 53 -17.630 -7.827 -5.497 1.00 0.00 C ATOM 0 H ALA A 53 -15.480 -8.502 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.337 -8.131 -3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.530 -7.708 -4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.210 -6.846 -5.719 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -17.883 -8.332 -6.429 1.00 0.00 H new ATOM 788 N SER A 54 -16.765 -11.070 -4.991 1.00 0.00 N ATOM 789 CA SER A 54 -17.263 -12.409 -4.700 1.00 0.00 C ATOM 790 C SER A 54 -16.429 -13.090 -3.613 1.00 0.00 C ATOM 791 O SER A 54 -16.707 -14.224 -3.228 1.00 0.00 O ATOM 792 CB SER A 54 -17.252 -13.262 -5.969 1.00 0.00 C ATOM 793 OG SER A 54 -18.050 -14.423 -5.810 1.00 0.00 O ATOM 0 H SER A 54 -16.062 -11.032 -5.729 1.00 0.00 H new ATOM 0 HA SER A 54 -18.286 -12.312 -4.335 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.622 -12.675 -6.809 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.228 -13.550 -6.208 1.00 0.00 H new ATOM 0 HG SER A 54 -18.025 -14.712 -4.874 1.00 0.00 H new ATOM 799 N SER A 55 -15.410 -12.391 -3.120 1.00 0.00 N ATOM 800 CA SER A 55 -14.546 -12.929 -2.079 1.00 0.00 C ATOM 801 C SER A 55 -14.826 -12.252 -0.746 1.00 0.00 C ATOM 802 O SER A 55 -14.558 -11.064 -0.573 1.00 0.00 O ATOM 803 CB SER A 55 -13.076 -12.745 -2.461 1.00 0.00 C ATOM 804 OG SER A 55 -12.671 -13.715 -3.412 1.00 0.00 O ATOM 0 H SER A 55 -15.164 -11.450 -3.427 1.00 0.00 H new ATOM 0 HA SER A 55 -14.755 -13.994 -1.978 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.925 -11.746 -2.869 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.453 -12.822 -1.570 1.00 0.00 H new ATOM 0 HG SER A 55 -11.728 -13.575 -3.641 1.00 0.00 H new ATOM 810 N GLU A 56 -15.361 -13.018 0.198 1.00 0.00 N ATOM 811 CA GLU A 56 -15.670 -12.494 1.521 1.00 0.00 C ATOM 812 C GLU A 56 -14.424 -11.901 2.173 1.00 0.00 C ATOM 813 O GLU A 56 -14.520 -11.106 3.108 1.00 0.00 O ATOM 814 CB GLU A 56 -16.249 -13.598 2.408 1.00 0.00 C ATOM 815 CG GLU A 56 -16.732 -13.099 3.760 1.00 0.00 C ATOM 816 CD GLU A 56 -17.969 -12.229 3.652 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.712 -12.373 2.658 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.194 -11.402 4.560 1.00 0.00 O ATOM 0 H GLU A 56 -15.589 -14.004 0.071 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.412 -11.703 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.080 -14.073 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.490 -14.365 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -16.948 -13.953 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.934 -12.532 4.240 1.00 0.00 H new ATOM 825 N LYS A 57 -13.257 -12.291 1.671 1.00 0.00 N ATOM 826 CA LYS A 57 -11.993 -11.796 2.204 1.00 0.00 C ATOM 827 C LYS A 57 -11.557 -10.528 1.477 1.00 0.00 C ATOM 828 O LYS A 57 -10.950 -10.591 0.408 1.00 0.00 O ATOM 829 CB LYS A 57 -10.908 -12.869 2.081 1.00 0.00 C ATOM 830 CG LYS A 57 -11.196 -14.120 2.893 1.00 0.00 C ATOM 831 CD LYS A 57 -9.982 -15.034 2.957 1.00 0.00 C ATOM 832 CE LYS A 57 -9.656 -15.623 1.594 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.167 -17.014 1.453 1.00 0.00 N ATOM 0 H LYS A 57 -13.160 -12.948 0.897 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.139 -11.557 3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.798 -13.144 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.955 -12.449 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.495 -13.839 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.035 -14.657 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.123 -14.475 3.328 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.169 -15.839 3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.090 -14.996 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.576 -15.616 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.924 -17.379 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.734 -17.618 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.200 -17.018 1.570 1.00 0.00 H new ATOM 847 N MET A 58 -11.871 -9.379 2.065 1.00 0.00 N ATOM 848 CA MET A 58 -11.511 -8.095 1.475 1.00 0.00 C ATOM 849 C MET A 58 -10.038 -7.779 1.716 1.00 0.00 C ATOM 850 O MET A 58 -9.614 -7.582 2.854 1.00 0.00 O ATOM 851 CB MET A 58 -12.385 -6.981 2.054 1.00 0.00 C ATOM 852 CG MET A 58 -12.300 -6.867 3.567 1.00 0.00 C ATOM 853 SD MET A 58 -13.912 -6.628 4.340 1.00 0.00 S ATOM 854 CE MET A 58 -14.591 -8.281 4.227 1.00 0.00 C ATOM 0 H MET A 58 -12.374 -9.310 2.950 1.00 0.00 H new ATOM 0 HA MET A 58 -11.679 -8.158 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.090 -6.031 1.609 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.422 -7.158 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.839 -7.769 3.970 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.649 -6.032 3.828 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.550 -8.316 4.743 1.00 0.00 H new ATOM 0 HE2 MET A 58 -14.733 -8.545 3.179 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.904 -8.989 4.690 1.00 0.00 H new ATOM 864 N MET A 59 -9.263 -7.735 0.637 1.00 0.00 N ATOM 865 CA MET A 59 -7.836 -7.446 0.733 1.00 0.00 C ATOM 866 C MET A 59 -7.373 -6.593 -0.443 1.00 0.00 C ATOM 867 O MET A 59 -7.809 -6.791 -1.576 1.00 0.00 O ATOM 868 CB MET A 59 -7.036 -8.750 0.779 1.00 0.00 C ATOM 869 CG MET A 59 -7.460 -9.685 1.899 1.00 0.00 C ATOM 870 SD MET A 59 -6.380 -11.120 2.053 1.00 0.00 S ATOM 871 CE MET A 59 -7.227 -12.047 3.331 1.00 0.00 C ATOM 0 H MET A 59 -9.598 -7.896 -0.313 1.00 0.00 H new ATOM 0 HA MET A 59 -7.663 -6.887 1.653 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.144 -9.267 -0.175 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.978 -8.514 0.895 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.466 -9.137 2.841 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.481 -10.021 1.719 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.613 -12.070 4.231 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.181 -11.570 3.555 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.403 -13.066 2.986 1.00 0.00 H new ATOM 881 N LEU A 60 -6.481 -5.645 -0.167 1.00 0.00 N ATOM 882 CA LEU A 60 -5.955 -4.766 -1.205 1.00 0.00 C ATOM 883 C LEU A 60 -4.459 -4.990 -1.398 1.00 0.00 C ATOM 884 O LEU A 60 -3.681 -4.910 -0.447 1.00 0.00 O ATOM 885 CB LEU A 60 -6.222 -3.302 -0.845 1.00 0.00 C ATOM 886 CG LEU A 60 -5.812 -2.288 -1.915 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.828 -2.266 -3.046 1.00 0.00 C ATOM 888 CD2 LEU A 60 -5.660 -0.904 -1.303 1.00 0.00 C ATOM 0 H LEU A 60 -6.108 -5.467 0.766 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.463 -5.001 -2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.286 -3.182 -0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.692 -3.068 0.078 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.849 -2.589 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.520 -1.539 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.888 -3.255 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.805 -1.988 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.368 -0.194 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.609 -0.594 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.894 -0.931 -0.528 1.00 0.00 H new ATOM 900 N ARG A 61 -4.062 -5.273 -2.635 1.00 0.00 N ATOM 901 CA ARG A 61 -2.657 -5.512 -2.952 1.00 0.00 C ATOM 902 C ARG A 61 -2.123 -4.447 -3.901 1.00 0.00 C ATOM 903 O ARG A 61 -2.727 -4.161 -4.933 1.00 0.00 O ATOM 904 CB ARG A 61 -2.481 -6.899 -3.572 1.00 0.00 C ATOM 905 CG ARG A 61 -1.029 -7.290 -3.789 1.00 0.00 C ATOM 906 CD ARG A 61 -0.912 -8.600 -4.552 1.00 0.00 C ATOM 907 NE ARG A 61 -1.571 -9.701 -3.852 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.906 -10.852 -4.431 1.00 0.00 C ATOM 909 NH1 ARG A 61 -1.646 -11.056 -5.717 1.00 0.00 N ATOM 910 NH2 ARG A 61 -2.502 -11.801 -3.723 1.00 0.00 N ATOM 0 H ARG A 61 -4.692 -5.343 -3.434 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.089 -5.462 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.955 -7.639 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.003 -6.929 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.517 -6.501 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.528 -7.383 -2.825 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.353 -8.484 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.141 -8.842 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.787 -9.580 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.187 -10.329 -6.266 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.905 -11.940 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.704 -11.649 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.759 -12.683 -4.166 1.00 0.00 H new ATOM 924 N LEU A 62 -0.984 -3.864 -3.543 1.00 0.00 N ATOM 925 CA LEU A 62 -0.364 -2.830 -4.364 1.00 0.00 C ATOM 926 C LEU A 62 0.939 -3.333 -4.977 1.00 0.00 C ATOM 927 O LEU A 62 1.793 -3.883 -4.282 1.00 0.00 O ATOM 928 CB LEU A 62 -0.105 -1.574 -3.528 1.00 0.00 C ATOM 929 CG LEU A 62 -1.028 -0.394 -3.837 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.452 -0.704 -3.402 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.524 0.868 -3.154 1.00 0.00 C ATOM 0 H LEU A 62 -0.472 -4.090 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.049 -2.580 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.207 -1.830 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.927 -1.259 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.026 -0.227 -4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.095 0.146 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.812 -1.584 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.471 -0.897 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.192 1.698 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.497 0.712 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.479 1.100 -3.512 1.00 0.00 H new ATOM 943 N ILE A 63 1.083 -3.140 -6.283 1.00 0.00 N ATOM 944 CA ILE A 63 2.282 -3.573 -6.990 1.00 0.00 C ATOM 945 C ILE A 63 3.426 -2.586 -6.785 1.00 0.00 C ATOM 946 O ILE A 63 3.276 -1.390 -7.029 1.00 0.00 O ATOM 947 CB ILE A 63 2.023 -3.731 -8.501 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.733 -4.517 -8.744 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.203 -4.419 -9.171 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.707 -5.868 -8.062 1.00 0.00 C ATOM 0 H ILE A 63 0.385 -2.687 -6.873 1.00 0.00 H new ATOM 0 HA ILE A 63 2.559 -4.542 -6.574 1.00 0.00 H new ATOM 0 HB ILE A 63 1.908 -2.739 -8.939 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.113 -3.926 -8.394 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.601 -4.659 -9.817 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.005 -4.524 -10.238 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.103 -3.822 -9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.347 -5.405 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.237 -6.367 -8.279 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.532 -6.477 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.807 -5.734 -6.985 1.00 0.00 H new ATOM 962 N GLY A 64 4.567 -3.096 -6.335 1.00 0.00 N ATOM 963 CA GLY A 64 5.719 -2.245 -6.103 1.00 0.00 C ATOM 964 C GLY A 64 6.594 -2.099 -7.334 1.00 0.00 C ATOM 965 O GLY A 64 7.811 -2.274 -7.263 1.00 0.00 O ATOM 0 H GLY A 64 4.715 -4.084 -6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.380 -1.259 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.312 -2.657 -5.287 1.00 0.00 H new ATOM 969 N LYS A 65 5.974 -1.776 -8.466 1.00 0.00 N ATOM 970 CA LYS A 65 6.702 -1.603 -9.719 1.00 0.00 C ATOM 971 C LYS A 65 7.627 -2.787 -9.989 1.00 0.00 C ATOM 972 O LYS A 65 7.628 -3.769 -9.248 1.00 0.00 O ATOM 973 CB LYS A 65 7.510 -0.305 -9.682 1.00 0.00 C ATOM 974 CG LYS A 65 6.795 0.876 -10.318 1.00 0.00 C ATOM 975 CD LYS A 65 7.651 2.131 -10.282 1.00 0.00 C ATOM 976 CE LYS A 65 6.907 3.330 -10.847 1.00 0.00 C ATOM 977 NZ LYS A 65 5.659 3.617 -10.087 1.00 0.00 N ATOM 0 H LYS A 65 4.967 -1.629 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 65 5.974 -1.551 -10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.744 -0.062 -8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.459 -0.463 -10.194 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.542 0.636 -11.351 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.857 1.059 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.951 2.339 -9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.564 1.966 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.557 4.205 -10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.661 3.145 -11.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.590 4.639 -9.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.836 3.307 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.679 3.106 -9.182 1.00 0.00 H new ATOM 991 N VAL A 66 8.414 -2.684 -11.056 1.00 0.00 N ATOM 992 CA VAL A 66 9.344 -3.744 -11.424 1.00 0.00 C ATOM 993 C VAL A 66 10.749 -3.443 -10.912 1.00 0.00 C ATOM 994 O VAL A 66 11.240 -2.322 -11.039 1.00 0.00 O ATOM 995 CB VAL A 66 9.390 -3.940 -12.952 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.912 -2.688 -13.641 1.00 0.00 C ATOM 997 CG2 VAL A 66 10.240 -5.151 -13.311 1.00 0.00 C ATOM 0 H VAL A 66 8.425 -1.877 -11.680 1.00 0.00 H new ATOM 0 HA VAL A 66 8.984 -4.662 -10.960 1.00 0.00 H new ATOM 0 HB VAL A 66 8.375 -4.120 -13.305 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.936 -2.849 -14.719 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.256 -1.848 -13.414 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.919 -2.469 -13.284 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.260 -5.273 -14.394 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.256 -5.005 -12.943 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.813 -6.044 -12.853 1.00 0.00 H new ATOM 1007 N ASP A 67 11.391 -4.454 -10.334 1.00 0.00 N ATOM 1008 CA ASP A 67 12.741 -4.297 -9.803 1.00 0.00 C ATOM 1009 C ASP A 67 13.727 -5.190 -10.548 1.00 0.00 C ATOM 1010 O ASP A 67 14.624 -5.781 -9.946 1.00 0.00 O ATOM 1011 CB ASP A 67 12.764 -4.625 -8.308 1.00 0.00 C ATOM 1012 CG ASP A 67 14.108 -4.330 -7.671 1.00 0.00 C ATOM 1013 OD1 ASP A 67 14.925 -3.626 -8.303 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.345 -4.803 -6.540 1.00 0.00 O ATOM 0 H ASP A 67 10.999 -5.389 -10.222 1.00 0.00 H new ATOM 0 HA ASP A 67 13.042 -3.259 -9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.990 -4.049 -7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 67 12.521 -5.678 -8.166 1.00 0.00 H new ATOM 1019 N GLU A 68 13.555 -5.284 -11.863 1.00 0.00 N ATOM 1020 CA GLU A 68 14.430 -6.105 -12.690 1.00 0.00 C ATOM 1021 C GLU A 68 14.572 -5.512 -14.088 1.00 0.00 C ATOM 1022 O GLU A 68 14.612 -6.236 -15.082 1.00 0.00 O ATOM 1023 CB GLU A 68 13.891 -7.533 -12.781 1.00 0.00 C ATOM 1024 CG GLU A 68 13.831 -8.247 -11.441 1.00 0.00 C ATOM 1025 CD GLU A 68 13.387 -9.691 -11.570 1.00 0.00 C ATOM 1026 OE1 GLU A 68 12.181 -9.923 -11.797 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.245 -10.590 -11.442 1.00 0.00 O ATOM 0 H GLU A 68 12.818 -4.802 -12.378 1.00 0.00 H new ATOM 0 HA GLU A 68 15.414 -6.126 -12.222 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.891 -7.508 -13.215 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.520 -8.107 -13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.814 -8.213 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.144 -7.717 -10.781 1.00 0.00 H new ATOM 1034 N SER A 69 14.652 -4.186 -14.155 1.00 0.00 N ATOM 1035 CA SER A 69 14.792 -3.493 -15.430 1.00 0.00 C ATOM 1036 C SER A 69 16.207 -2.956 -15.607 1.00 0.00 C ATOM 1037 O SER A 69 16.690 -2.802 -16.729 1.00 0.00 O ATOM 1038 CB SER A 69 13.780 -2.348 -15.528 1.00 0.00 C ATOM 1039 OG SER A 69 13.660 -1.887 -16.863 1.00 0.00 O ATOM 0 H SER A 69 14.622 -3.571 -13.342 1.00 0.00 H new ATOM 0 HA SER A 69 14.595 -4.210 -16.227 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.808 -2.685 -15.168 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.092 -1.527 -14.883 1.00 0.00 H new ATOM 0 HG SER A 69 13.007 -1.157 -16.900 1.00 0.00 H new ATOM 1045 N LYS A 70 16.865 -2.675 -14.491 1.00 0.00 N ATOM 1046 CA LYS A 70 18.226 -2.155 -14.514 1.00 0.00 C ATOM 1047 C LYS A 70 19.230 -3.273 -14.775 1.00 0.00 C ATOM 1048 O LYS A 70 20.278 -3.051 -15.382 1.00 0.00 O ATOM 1049 CB LYS A 70 18.552 -1.458 -13.192 1.00 0.00 C ATOM 1050 CG LYS A 70 17.732 -0.202 -12.948 1.00 0.00 C ATOM 1051 CD LYS A 70 18.181 0.519 -11.686 1.00 0.00 C ATOM 1052 CE LYS A 70 17.302 1.725 -11.392 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.030 1.334 -10.723 1.00 0.00 N ATOM 0 H LYS A 70 16.478 -2.799 -13.556 1.00 0.00 H new ATOM 0 HA LYS A 70 18.298 -1.430 -15.325 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.385 -2.156 -12.372 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.611 -1.199 -13.179 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.825 0.467 -13.804 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.678 -0.465 -12.863 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.150 -0.170 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 70 19.216 0.840 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.846 2.425 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.078 2.246 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.459 2.184 -10.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.499 0.686 -11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.243 0.859 -9.823 1.00 0.00 H new ATOM 1067 N LYS A 71 18.904 -4.475 -14.310 1.00 0.00 N ATOM 1068 CA LYS A 71 19.779 -5.627 -14.492 1.00 0.00 C ATOM 1069 C LYS A 71 21.128 -5.398 -13.818 1.00 0.00 C ATOM 1070 O LYS A 71 22.181 -5.601 -14.423 1.00 0.00 O ATOM 1071 CB LYS A 71 19.977 -5.912 -15.982 1.00 0.00 C ATOM 1072 CG LYS A 71 18.697 -6.310 -16.701 1.00 0.00 C ATOM 1073 CD LYS A 71 18.430 -5.421 -17.905 1.00 0.00 C ATOM 1074 CE LYS A 71 19.397 -5.716 -19.041 1.00 0.00 C ATOM 1075 NZ LYS A 71 18.807 -6.641 -20.047 1.00 0.00 N ATOM 0 H LYS A 71 18.041 -4.676 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 71 19.305 -6.491 -14.026 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.392 -5.025 -16.461 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.711 -6.709 -16.096 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.769 -7.349 -17.024 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.857 -6.249 -16.009 1.00 0.00 H new ATOM 0 HD2 LYS A 71 17.407 -5.570 -18.249 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.519 -4.375 -17.613 1.00 0.00 H new ATOM 0 HE2 LYS A 71 19.680 -4.783 -19.528 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.309 -6.154 -18.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.498 -6.817 -20.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.560 -7.541 -19.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.950 -6.213 -20.452 1.00 0.00 H new ATOM 1089 N ARG A 72 21.088 -4.974 -12.559 1.00 0.00 N ATOM 1090 CA ARG A 72 22.306 -4.717 -11.800 1.00 0.00 C ATOM 1091 C ARG A 72 22.512 -5.781 -10.726 1.00 0.00 C ATOM 1092 O ARG A 72 21.558 -6.226 -10.088 1.00 0.00 O ATOM 1093 CB ARG A 72 22.247 -3.331 -11.156 1.00 0.00 C ATOM 1094 CG ARG A 72 21.143 -3.187 -10.120 1.00 0.00 C ATOM 1095 CD ARG A 72 20.791 -1.727 -9.875 1.00 0.00 C ATOM 1096 NE ARG A 72 21.162 -1.294 -8.529 1.00 0.00 N ATOM 1097 CZ ARG A 72 22.395 -0.939 -8.176 1.00 0.00 C ATOM 1098 NH1 ARG A 72 23.381 -0.966 -9.064 1.00 0.00 N ATOM 1099 NH2 ARG A 72 22.644 -0.558 -6.931 1.00 0.00 N ATOM 0 H ARG A 72 20.225 -4.801 -12.043 1.00 0.00 H new ATOM 0 HA ARG A 72 23.149 -4.754 -12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 72 23.206 -3.118 -10.684 1.00 0.00 H new ATOM 0 HB3 ARG A 72 22.102 -2.583 -11.936 1.00 0.00 H new ATOM 0 HG2 ARG A 72 20.256 -3.724 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 72 21.459 -3.648 -9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 72 21.300 -1.103 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 72 19.720 -1.583 -10.020 1.00 0.00 H new ATOM 0 HE ARG A 72 20.432 -1.262 -7.818 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.196 -1.260 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.324 -0.693 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.891 -0.537 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 72 23.589 -0.286 -6.660 1.00 0.00 H new ATOM 1113 N LYS A 73 23.763 -6.184 -10.533 1.00 0.00 N ATOM 1114 CA LYS A 73 24.096 -7.196 -9.538 1.00 0.00 C ATOM 1115 C LYS A 73 24.182 -6.579 -8.144 1.00 0.00 C ATOM 1116 O LYS A 73 23.802 -5.426 -7.940 1.00 0.00 O ATOM 1117 CB LYS A 73 25.421 -7.875 -9.895 1.00 0.00 C ATOM 1118 CG LYS A 73 25.373 -9.390 -9.797 1.00 0.00 C ATOM 1119 CD LYS A 73 26.741 -10.008 -10.042 1.00 0.00 C ATOM 1120 CE LYS A 73 26.662 -11.523 -10.121 1.00 0.00 C ATOM 1121 NZ LYS A 73 26.917 -12.163 -8.800 1.00 0.00 N ATOM 0 H LYS A 73 24.564 -5.825 -11.053 1.00 0.00 H new ATOM 0 HA LYS A 73 23.304 -7.944 -9.535 1.00 0.00 H new ATOM 0 HB2 LYS A 73 25.702 -7.594 -10.910 1.00 0.00 H new ATOM 0 HB3 LYS A 73 26.202 -7.501 -9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 73 25.013 -9.681 -8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 73 24.661 -9.780 -10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 73 27.158 -9.616 -10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 73 27.421 -9.719 -9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 73 25.676 -11.817 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.389 -11.887 -10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 26.854 -13.197 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 27.867 -11.904 -8.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 26.208 -11.836 -8.113 1.00 0.00 H new ATOM 1135 N ASP A 74 24.685 -7.355 -7.190 1.00 0.00 N ATOM 1136 CA ASP A 74 24.821 -6.885 -5.816 1.00 0.00 C ATOM 1137 C ASP A 74 26.147 -7.343 -5.216 1.00 0.00 C ATOM 1138 O ASP A 74 26.798 -8.244 -5.743 1.00 0.00 O ATOM 1139 CB ASP A 74 23.659 -7.391 -4.963 1.00 0.00 C ATOM 1140 CG ASP A 74 22.341 -6.745 -5.343 1.00 0.00 C ATOM 1141 OD1 ASP A 74 22.367 -5.635 -5.917 1.00 0.00 O ATOM 1142 OD2 ASP A 74 21.282 -7.349 -5.069 1.00 0.00 O ATOM 0 H ASP A 74 25.005 -8.311 -7.343 1.00 0.00 H new ATOM 0 HA ASP A 74 24.804 -5.795 -5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 74 23.576 -8.472 -5.072 1.00 0.00 H new ATOM 0 HB3 ASP A 74 23.869 -7.192 -3.912 1.00 0.00 H new ATOM 1147 N ASN A 75 26.543 -6.713 -4.117 1.00 0.00 N ATOM 1148 CA ASN A 75 27.794 -7.054 -3.450 1.00 0.00 C ATOM 1149 C ASN A 75 27.755 -8.474 -2.902 1.00 0.00 C ATOM 1150 O ASN A 75 28.772 -9.166 -2.864 1.00 0.00 O ATOM 1151 CB ASN A 75 28.085 -6.065 -2.320 1.00 0.00 C ATOM 1152 CG ASN A 75 28.311 -4.655 -2.830 1.00 0.00 C ATOM 1153 OD1 ASN A 75 28.580 -4.446 -4.013 1.00 0.00 O ATOM 1154 ND2 ASN A 75 28.205 -3.678 -1.937 1.00 0.00 N ATOM 0 H ASN A 75 26.016 -5.963 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 75 28.593 -6.994 -4.189 1.00 0.00 H new ATOM 0 HB2 ASN A 75 27.252 -6.065 -1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 75 28.966 -6.395 -1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 75 28.348 -2.709 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 75 27.980 -3.896 -0.966 1.00 0.00 H new ATOM 1161 N GLU A 76 26.576 -8.899 -2.477 1.00 0.00 N ATOM 1162 CA GLU A 76 26.396 -10.236 -1.925 1.00 0.00 C ATOM 1163 C GLU A 76 25.207 -10.940 -2.564 1.00 0.00 C ATOM 1164 O GLU A 76 24.488 -11.693 -1.904 1.00 0.00 O ATOM 1165 CB GLU A 76 26.207 -10.158 -0.412 1.00 0.00 C ATOM 1166 CG GLU A 76 27.509 -10.008 0.359 1.00 0.00 C ATOM 1167 CD GLU A 76 27.300 -9.981 1.861 1.00 0.00 C ATOM 1168 OE1 GLU A 76 26.137 -9.849 2.297 1.00 0.00 O ATOM 1169 OE2 GLU A 76 28.299 -10.090 2.601 1.00 0.00 O ATOM 0 H GLU A 76 25.725 -8.337 -2.503 1.00 0.00 H new ATOM 0 HA GLU A 76 27.292 -10.816 -2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.558 -9.314 -0.179 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.695 -11.058 -0.072 1.00 0.00 H new ATOM 0 HG2 GLU A 76 28.175 -10.832 0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 76 28.006 -9.089 0.049 1.00 0.00 H new ATOM 1176 N GLY A 77 25.006 -10.693 -3.852 1.00 0.00 N ATOM 1177 CA GLY A 77 23.903 -11.311 -4.567 1.00 0.00 C ATOM 1178 C GLY A 77 22.572 -11.107 -3.869 1.00 0.00 C ATOM 1179 O GLY A 77 21.724 -12.001 -3.860 1.00 0.00 O ATOM 0 H GLY A 77 25.588 -10.074 -4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 77 23.849 -10.897 -5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.095 -12.379 -4.672 1.00 0.00 H new ATOM 1183 N ASN A 78 22.391 -9.931 -3.280 1.00 0.00 N ATOM 1184 CA ASN A 78 21.157 -9.608 -2.570 1.00 0.00 C ATOM 1185 C ASN A 78 19.943 -9.766 -3.481 1.00 0.00 C ATOM 1186 O ASN A 78 19.522 -8.817 -4.142 1.00 0.00 O ATOM 1187 CB ASN A 78 21.216 -8.181 -2.024 1.00 0.00 C ATOM 1188 CG ASN A 78 22.292 -8.010 -0.970 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.792 -8.987 -0.411 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.656 -6.763 -0.693 1.00 0.00 N ATOM 0 H ASN A 78 23.084 -9.183 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 78 21.056 -10.305 -1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.402 -7.488 -2.845 1.00 0.00 H new ATOM 0 HB3 ASN A 78 20.248 -7.918 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.376 -6.586 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.215 -5.983 -1.180 1.00 0.00 H new ATOM 1197 N GLU A 79 19.382 -10.971 -3.509 1.00 0.00 N ATOM 1198 CA GLU A 79 18.216 -11.255 -4.336 1.00 0.00 C ATOM 1199 C GLU A 79 17.432 -12.440 -3.782 1.00 0.00 C ATOM 1200 O GLU A 79 17.061 -13.354 -4.518 1.00 0.00 O ATOM 1201 CB GLU A 79 18.644 -11.538 -5.778 1.00 0.00 C ATOM 1202 CG GLU A 79 19.305 -10.351 -6.461 1.00 0.00 C ATOM 1203 CD GLU A 79 19.635 -10.624 -7.916 1.00 0.00 C ATOM 1204 OE1 GLU A 79 19.574 -11.800 -8.329 1.00 0.00 O ATOM 1205 OE2 GLU A 79 19.957 -9.660 -8.642 1.00 0.00 O ATOM 0 H GLU A 79 19.717 -11.767 -2.967 1.00 0.00 H new ATOM 0 HA GLU A 79 17.569 -10.378 -4.323 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.335 -12.381 -5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 79 17.770 -11.838 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.644 -9.486 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.220 -10.093 -5.927 1.00 0.00 H new ATOM 1212 N VAL A 80 17.184 -12.419 -2.476 1.00 0.00 N ATOM 1213 CA VAL A 80 16.445 -13.492 -1.820 1.00 0.00 C ATOM 1214 C VAL A 80 15.012 -13.567 -2.335 1.00 0.00 C ATOM 1215 O VAL A 80 14.447 -14.653 -2.466 1.00 0.00 O ATOM 1216 CB VAL A 80 16.419 -13.303 -0.292 1.00 0.00 C ATOM 1217 CG1 VAL A 80 17.822 -13.414 0.284 1.00 0.00 C ATOM 1218 CG2 VAL A 80 15.790 -11.966 0.071 1.00 0.00 C ATOM 0 H VAL A 80 17.484 -11.671 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 80 16.962 -14.422 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 80 15.809 -14.095 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 80 17.783 -13.278 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.232 -14.398 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 80 18.458 -12.646 -0.156 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.781 -11.851 1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.370 -11.158 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.768 -11.930 -0.307 1.00 0.00 H new ATOM 1228 N VAL A 81 14.430 -12.410 -2.627 1.00 0.00 N ATOM 1229 CA VAL A 81 13.062 -12.348 -3.127 1.00 0.00 C ATOM 1230 C VAL A 81 12.978 -11.510 -4.402 1.00 0.00 C ATOM 1231 O VAL A 81 12.461 -10.393 -4.389 1.00 0.00 O ATOM 1232 CB VAL A 81 12.103 -11.760 -2.074 1.00 0.00 C ATOM 1233 CG1 VAL A 81 11.832 -12.773 -0.974 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.673 -10.473 -1.495 1.00 0.00 C ATOM 0 H VAL A 81 14.884 -11.502 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 81 12.761 -13.372 -3.348 1.00 0.00 H new ATOM 0 HB VAL A 81 11.156 -11.526 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.153 -12.340 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.379 -13.666 -1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.770 -13.041 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.983 -10.071 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.633 -10.680 -1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.811 -9.745 -2.294 1.00 0.00 H new ATOM 1244 N PRO A 82 13.488 -12.043 -5.526 1.00 0.00 N ATOM 1245 CA PRO A 82 13.468 -11.339 -6.813 1.00 0.00 C ATOM 1246 C PRO A 82 12.055 -10.949 -7.236 1.00 0.00 C ATOM 1247 O PRO A 82 11.135 -10.937 -6.421 1.00 0.00 O ATOM 1248 CB PRO A 82 14.055 -12.360 -7.794 1.00 0.00 C ATOM 1249 CG PRO A 82 14.842 -13.299 -6.947 1.00 0.00 C ATOM 1250 CD PRO A 82 14.121 -13.368 -5.631 1.00 0.00 C ATOM 0 HA PRO A 82 14.025 -10.403 -6.771 1.00 0.00 H new ATOM 0 HB2 PRO A 82 13.268 -12.883 -8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.687 -11.875 -8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.905 -14.284 -7.410 1.00 0.00 H new ATOM 0 HG3 PRO A 82 15.864 -12.943 -6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.382 -14.170 -5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 82 14.807 -13.553 -4.805 1.00 0.00 H new ATOM 1258 N LYS A 83 11.893 -10.632 -8.517 1.00 0.00 N ATOM 1259 CA LYS A 83 10.592 -10.242 -9.048 1.00 0.00 C ATOM 1260 C LYS A 83 10.080 -8.977 -8.363 1.00 0.00 C ATOM 1261 O LYS A 83 10.595 -8.575 -7.319 1.00 0.00 O ATOM 1262 CB LYS A 83 9.584 -11.378 -8.868 1.00 0.00 C ATOM 1263 CG LYS A 83 9.429 -12.254 -10.100 1.00 0.00 C ATOM 1264 CD LYS A 83 10.553 -13.273 -10.204 1.00 0.00 C ATOM 1265 CE LYS A 83 11.000 -13.464 -11.645 1.00 0.00 C ATOM 1266 NZ LYS A 83 11.527 -14.836 -11.886 1.00 0.00 N ATOM 0 H LYS A 83 12.646 -10.638 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 83 10.709 -10.034 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.895 -11.999 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.614 -10.954 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.470 -12.771 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.419 -11.629 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.399 -12.946 -9.600 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.220 -14.227 -9.796 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.160 -13.275 -12.314 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.770 -12.732 -11.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.821 -14.925 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.344 -15.008 -11.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.784 -15.534 -11.681 1.00 0.00 H new ATOM 1280 N PRO A 84 9.054 -8.329 -8.943 1.00 0.00 N ATOM 1281 CA PRO A 84 8.474 -7.104 -8.382 1.00 0.00 C ATOM 1282 C PRO A 84 7.852 -7.336 -7.009 1.00 0.00 C ATOM 1283 O PRO A 84 7.108 -8.295 -6.807 1.00 0.00 O ATOM 1284 CB PRO A 84 7.394 -6.712 -9.398 1.00 0.00 C ATOM 1285 CG PRO A 84 7.093 -7.967 -10.145 1.00 0.00 C ATOM 1286 CD PRO A 84 8.380 -8.739 -10.187 1.00 0.00 C ATOM 0 HA PRO A 84 9.229 -6.333 -8.230 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.505 -6.326 -8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.748 -5.929 -10.068 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.310 -8.539 -9.648 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.736 -7.747 -11.151 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.205 -9.814 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.972 -8.489 -11.068 1.00 0.00 H new ATOM 1294 N GLN A 85 8.159 -6.449 -6.068 1.00 0.00 N ATOM 1295 CA GLN A 85 7.630 -6.556 -4.715 1.00 0.00 C ATOM 1296 C GLN A 85 6.212 -5.998 -4.646 1.00 0.00 C ATOM 1297 O GLN A 85 5.958 -4.871 -5.069 1.00 0.00 O ATOM 1298 CB GLN A 85 8.532 -5.812 -3.729 1.00 0.00 C ATOM 1299 CG GLN A 85 8.602 -4.314 -3.980 1.00 0.00 C ATOM 1300 CD GLN A 85 9.505 -3.599 -2.992 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.984 -4.195 -2.030 1.00 0.00 O ATOM 1302 NE2 GLN A 85 9.738 -2.313 -3.227 1.00 0.00 N ATOM 0 H GLN A 85 8.772 -5.648 -6.219 1.00 0.00 H new ATOM 0 HA GLN A 85 7.603 -7.611 -4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.170 -5.986 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 85 9.538 -6.229 -3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.964 -4.135 -4.993 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.599 -3.892 -3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 85 9.319 -1.859 -4.039 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.336 -1.779 -2.596 1.00 0.00 H new ATOM 1311 N ARG A 86 5.292 -6.796 -4.116 1.00 0.00 N ATOM 1312 CA ARG A 86 3.899 -6.382 -3.999 1.00 0.00 C ATOM 1313 C ARG A 86 3.465 -6.326 -2.537 1.00 0.00 C ATOM 1314 O ARG A 86 3.771 -7.223 -1.753 1.00 0.00 O ATOM 1315 CB ARG A 86 2.994 -7.344 -4.772 1.00 0.00 C ATOM 1316 CG ARG A 86 3.308 -7.413 -6.257 1.00 0.00 C ATOM 1317 CD ARG A 86 2.384 -8.383 -6.976 1.00 0.00 C ATOM 1318 NE ARG A 86 2.770 -8.573 -8.373 1.00 0.00 N ATOM 1319 CZ ARG A 86 2.220 -9.479 -9.177 1.00 0.00 C ATOM 1320 NH1 ARG A 86 1.262 -10.281 -8.728 1.00 0.00 N ATOM 1321 NH2 ARG A 86 2.630 -9.585 -10.434 1.00 0.00 N ATOM 0 H ARG A 86 5.485 -7.732 -3.761 1.00 0.00 H new ATOM 0 HA ARG A 86 3.808 -5.383 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.087 -8.342 -4.343 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.956 -7.037 -4.642 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.210 -6.421 -6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.344 -7.723 -6.397 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.397 -9.344 -6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.361 -8.011 -6.930 1.00 0.00 H new ATOM 0 HE ARG A 86 3.504 -7.976 -8.754 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.944 -10.204 -7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.844 -10.974 -9.349 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.367 -8.972 -10.784 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.209 -10.279 -11.051 1.00 0.00 H new ATOM 1335 N HIS A 87 2.745 -5.267 -2.182 1.00 0.00 N ATOM 1336 CA HIS A 87 2.262 -5.095 -0.817 1.00 0.00 C ATOM 1337 C HIS A 87 0.801 -5.518 -0.707 1.00 0.00 C ATOM 1338 O HIS A 87 -0.090 -4.848 -1.226 1.00 0.00 O ATOM 1339 CB HIS A 87 2.416 -3.638 -0.376 1.00 0.00 C ATOM 1340 CG HIS A 87 3.735 -3.344 0.269 1.00 0.00 C ATOM 1341 ND1 HIS A 87 3.883 -3.152 1.627 1.00 0.00 N ATOM 1342 CD2 HIS A 87 4.973 -3.211 -0.265 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.154 -2.910 1.900 1.00 0.00 C ATOM 1344 NE2 HIS A 87 5.835 -2.942 0.769 1.00 0.00 N ATOM 0 H HIS A 87 2.483 -4.516 -2.820 1.00 0.00 H new ATOM 0 HA HIS A 87 2.860 -5.728 -0.162 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.292 -2.989 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.616 -3.392 0.323 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.233 -3.300 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.565 -2.719 2.880 1.00 0.00 H new ATOM 0 HE2 HIS A 87 6.840 -2.791 0.678 1.00 0.00 H new ATOM 1353 N MET A 88 0.564 -6.637 -0.031 1.00 0.00 N ATOM 1354 CA MET A 88 -0.789 -7.150 0.142 1.00 0.00 C ATOM 1355 C MET A 88 -1.317 -6.837 1.537 1.00 0.00 C ATOM 1356 O MET A 88 -0.711 -7.216 2.540 1.00 0.00 O ATOM 1357 CB MET A 88 -0.822 -8.660 -0.102 1.00 0.00 C ATOM 1358 CG MET A 88 -2.220 -9.253 -0.061 1.00 0.00 C ATOM 1359 SD MET A 88 -2.215 -11.051 -0.185 1.00 0.00 S ATOM 1360 CE MET A 88 -1.593 -11.501 1.434 1.00 0.00 C ATOM 0 H MET A 88 1.290 -7.205 0.405 1.00 0.00 H new ATOM 0 HA MET A 88 -1.431 -6.658 -0.588 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.375 -8.872 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 88 -0.205 -9.154 0.648 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.709 -8.958 0.868 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.811 -8.838 -0.878 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.795 -12.556 1.621 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.518 -11.325 1.473 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.087 -10.896 2.195 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.447 -6.142 1.595 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.056 -5.776 2.868 1.00 0.00 C ATOM 1372 C PHE A 89 -4.362 -6.528 3.090 1.00 0.00 C ATOM 1373 O PHE A 89 -5.033 -6.925 2.138 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.312 -4.270 2.918 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.057 -3.456 3.029 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.399 -3.342 4.243 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.535 -2.809 1.923 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.241 -2.594 4.350 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.379 -2.060 2.022 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.269 -1.952 3.238 1.00 0.00 C ATOM 0 H PHE A 89 -2.960 -5.820 0.774 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.362 -6.051 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.852 -3.971 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.958 -4.047 3.767 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.795 -3.842 5.114 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.038 -2.891 0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.264 -2.512 5.301 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.018 -1.560 1.151 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.173 -1.366 3.319 1.00 0.00 H new ATOM 1390 N SER A 90 -4.719 -6.713 4.356 1.00 0.00 N ATOM 1391 CA SER A 90 -5.951 -7.410 4.710 1.00 0.00 C ATOM 1392 C SER A 90 -6.907 -6.466 5.430 1.00 0.00 C ATOM 1393 O SER A 90 -6.592 -5.946 6.500 1.00 0.00 O ATOM 1394 CB SER A 90 -5.646 -8.625 5.590 1.00 0.00 C ATOM 1395 OG SER A 90 -4.248 -8.822 5.727 1.00 0.00 O ATOM 0 H SER A 90 -4.173 -6.390 5.155 1.00 0.00 H new ATOM 0 HA SER A 90 -6.426 -7.756 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.094 -8.486 6.574 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.100 -9.515 5.155 1.00 0.00 H new ATOM 0 HG SER A 90 -4.082 -9.603 6.295 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.072 -6.237 4.833 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.062 -5.345 5.412 1.00 0.00 C ATOM 1403 C PHE A 91 -10.126 -6.109 6.183 1.00 0.00 C ATOM 1404 O PHE A 91 -10.630 -7.134 5.723 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.725 -4.513 4.317 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.935 -3.298 3.943 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.933 -3.375 2.992 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.195 -2.082 4.548 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.199 -2.257 2.648 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.465 -0.957 4.210 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.466 -1.044 3.258 1.00 0.00 C ATOM 0 H PHE A 91 -8.351 -6.659 3.947 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.542 -4.689 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.866 -5.134 3.432 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.716 -4.206 4.652 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.723 -4.320 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.975 -2.010 5.291 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.419 -2.329 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.675 -0.012 4.689 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.895 -0.167 2.991 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.477 -5.587 7.350 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.499 -6.200 8.183 1.00 0.00 C ATOM 1423 C ASN A 92 -12.845 -5.518 7.962 1.00 0.00 C ATOM 1424 O ASN A 92 -13.801 -5.761 8.698 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.104 -6.118 9.658 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.867 -6.935 9.973 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.495 -7.834 9.218 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.223 -6.627 11.092 1.00 0.00 N ATOM 0 H ASN A 92 -10.067 -4.739 7.741 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.588 -7.249 7.902 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.926 -5.077 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.933 -6.468 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.384 -7.143 11.356 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.567 -5.874 11.688 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.918 -4.657 6.944 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.152 -3.948 6.639 1.00 0.00 C ATOM 1437 C ASN A 93 -14.202 -3.530 5.174 1.00 0.00 C ATOM 1438 O ASN A 93 -13.298 -2.860 4.676 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.295 -2.719 7.538 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.707 -2.167 7.543 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.590 -2.686 6.861 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.926 -1.108 8.314 1.00 0.00 N ATOM 0 H ASN A 93 -12.139 -4.438 6.323 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.983 -4.628 6.828 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.007 -2.981 8.556 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.606 -1.944 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.856 -0.692 8.357 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.164 -0.710 8.863 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.271 -3.928 4.491 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.447 -3.594 3.083 1.00 0.00 C ATOM 1451 C ARG A 94 -15.504 -2.083 2.892 1.00 0.00 C ATOM 1452 O ARG A 94 -14.941 -1.545 1.939 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.722 -4.239 2.538 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.892 -4.074 1.036 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.110 -4.826 0.527 1.00 0.00 C ATOM 1456 NE ARG A 94 -19.359 -4.218 0.978 1.00 0.00 N ATOM 1457 CZ ARG A 94 -20.563 -4.735 0.747 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.686 -5.871 0.069 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -21.649 -4.118 1.193 1.00 0.00 N ATOM 0 H ARG A 94 -16.028 -4.482 4.891 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.591 -3.982 2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.714 -5.302 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.584 -3.804 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.989 -3.016 0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.000 -4.437 0.526 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -18.092 -4.850 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.066 -5.860 0.869 1.00 0.00 H new ATOM 0 HE ARG A 94 -19.305 -3.344 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.855 -6.351 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.611 -6.263 -0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -21.562 -3.245 1.714 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -22.571 -4.516 1.015 1.00 0.00 H new ATOM 1473 N THR A 95 -16.188 -1.400 3.804 1.00 0.00 N ATOM 1474 CA THR A 95 -16.319 0.035 3.742 1.00 0.00 C ATOM 1475 C THR A 95 -14.969 0.712 3.913 1.00 0.00 C ATOM 1476 O THR A 95 -14.640 1.661 3.203 1.00 0.00 O ATOM 1477 CB THR A 95 -17.285 0.483 4.829 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.118 -0.589 5.232 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.180 1.610 4.397 1.00 0.00 C ATOM 0 H THR A 95 -16.661 -1.830 4.599 1.00 0.00 H new ATOM 0 HA THR A 95 -16.706 0.322 2.764 1.00 0.00 H new ATOM 0 HB THR A 95 -16.657 0.828 5.650 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.731 -0.282 5.932 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.844 1.882 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.572 2.472 4.121 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.774 1.295 3.539 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.192 0.207 4.855 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.871 0.747 5.127 1.00 0.00 C ATOM 1489 C VAL A 96 -11.916 0.419 3.990 1.00 0.00 C ATOM 1490 O VAL A 96 -11.023 1.201 3.665 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.293 0.207 6.452 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.921 0.806 6.726 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.245 0.494 7.603 1.00 0.00 C ATOM 0 H VAL A 96 -14.455 -0.581 5.447 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.979 1.828 5.215 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.178 -0.873 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.533 0.411 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.242 0.546 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.005 1.891 6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.822 0.107 8.530 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.393 1.570 7.693 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.203 0.011 7.412 1.00 0.00 H new ATOM 1503 N MET A 97 -12.117 -0.741 3.386 1.00 0.00 N ATOM 1504 CA MET A 97 -11.280 -1.177 2.276 1.00 0.00 C ATOM 1505 C MET A 97 -11.649 -0.426 1.000 1.00 0.00 C ATOM 1506 O MET A 97 -10.796 -0.173 0.148 1.00 0.00 O ATOM 1507 CB MET A 97 -11.398 -2.697 2.076 1.00 0.00 C ATOM 1508 CG MET A 97 -12.446 -3.126 1.057 1.00 0.00 C ATOM 1509 SD MET A 97 -11.745 -3.422 -0.577 1.00 0.00 S ATOM 1510 CE MET A 97 -12.162 -5.147 -0.817 1.00 0.00 C ATOM 0 H MET A 97 -12.852 -1.399 3.645 1.00 0.00 H new ATOM 0 HA MET A 97 -10.241 -0.948 2.514 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.428 -3.085 1.765 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.633 -3.159 3.035 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.937 -4.034 1.407 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.214 -2.356 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 97 -12.352 -5.332 -1.874 1.00 0.00 H new ATOM 0 HE2 MET A 97 -11.334 -5.772 -0.483 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.055 -5.389 -0.240 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.924 -0.064 0.878 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.399 0.663 -0.287 1.00 0.00 C ATOM 1522 C ASP A 98 -13.025 2.137 -0.193 1.00 0.00 C ATOM 1523 O ASP A 98 -12.851 2.812 -1.207 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.914 0.512 -0.431 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.433 1.091 -1.732 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.612 1.355 -2.636 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.663 1.283 -1.848 1.00 0.00 O ATOM 0 H ASP A 98 -13.643 -0.264 1.573 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.919 0.240 -1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.178 -0.544 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.407 1.007 0.406 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.904 2.627 1.033 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.548 4.019 1.267 1.00 0.00 C ATOM 1534 C ASN A 99 -11.084 4.264 0.934 1.00 0.00 C ATOM 1535 O ASN A 99 -10.705 5.349 0.492 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.827 4.405 2.721 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.306 4.380 3.052 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.154 4.391 2.160 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.624 4.348 4.341 1.00 0.00 N ATOM 0 H ASN A 99 -13.047 2.080 1.882 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.161 4.640 0.614 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.298 3.720 3.384 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.432 5.403 2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.604 4.331 4.624 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.889 4.340 5.048 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.268 3.243 1.149 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.840 3.326 0.875 1.00 0.00 C ATOM 1548 C ILE A 100 -8.543 2.989 -0.583 1.00 0.00 C ATOM 1549 O ILE A 100 -7.754 3.668 -1.241 1.00 0.00 O ATOM 1550 CB ILE A 100 -8.041 2.372 1.786 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.324 2.677 3.260 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.551 2.474 1.492 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.756 3.998 3.729 1.00 0.00 C ATOM 0 H ILE A 100 -10.573 2.341 1.515 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.534 4.352 1.077 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.360 1.350 1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.402 2.678 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.911 1.876 3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.004 1.794 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.366 2.206 0.452 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.214 3.496 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.997 4.144 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.674 3.994 3.601 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.188 4.809 3.142 1.00 0.00 H new ATOM 1565 N LYS A 101 -9.174 1.932 -1.079 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.973 1.498 -2.457 1.00 0.00 C ATOM 1567 C LYS A 101 -9.312 2.613 -3.442 1.00 0.00 C ATOM 1568 O LYS A 101 -8.661 2.756 -4.476 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.828 0.265 -2.753 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.628 -0.291 -4.153 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.367 -1.605 -4.342 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.871 -1.395 -4.396 1.00 0.00 C ATOM 1573 NZ LYS A 101 -12.247 -0.301 -5.334 1.00 0.00 N ATOM 0 H LYS A 101 -9.830 1.359 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.920 1.244 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.594 -0.512 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.879 0.521 -2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.980 0.434 -4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.564 -0.441 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -10.032 -2.083 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.122 -2.282 -3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.356 -2.321 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.241 -1.160 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.246 -0.404 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.107 0.619 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.651 -0.353 -6.185 1.00 0.00 H new ATOM 1587 N MET A 102 -10.337 3.395 -3.121 1.00 0.00 N ATOM 1588 CA MET A 102 -10.760 4.489 -3.988 1.00 0.00 C ATOM 1589 C MET A 102 -9.891 5.722 -3.788 1.00 0.00 C ATOM 1590 O MET A 102 -9.531 6.406 -4.747 1.00 0.00 O ATOM 1591 CB MET A 102 -12.228 4.836 -3.734 1.00 0.00 C ATOM 1592 CG MET A 102 -13.190 3.726 -4.124 1.00 0.00 C ATOM 1593 SD MET A 102 -14.917 4.225 -3.981 1.00 0.00 S ATOM 1594 CE MET A 102 -15.008 4.638 -2.241 1.00 0.00 C ATOM 0 H MET A 102 -10.889 3.292 -2.269 1.00 0.00 H new ATOM 0 HA MET A 102 -10.646 4.157 -5.020 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.361 5.066 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.481 5.738 -4.291 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.988 3.419 -5.150 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.013 2.857 -3.490 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.979 5.082 -2.023 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.880 3.734 -1.645 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.220 5.350 -1.994 1.00 0.00 H new ATOM 1604 N THR A 103 -9.558 6.000 -2.540 1.00 0.00 N ATOM 1605 CA THR A 103 -8.732 7.153 -2.211 1.00 0.00 C ATOM 1606 C THR A 103 -7.304 6.949 -2.706 1.00 0.00 C ATOM 1607 O THR A 103 -6.626 7.901 -3.083 1.00 0.00 O ATOM 1608 CB THR A 103 -8.754 7.422 -0.699 1.00 0.00 C ATOM 1609 OG1 THR A 103 -8.476 8.783 -0.431 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.762 6.590 0.089 1.00 0.00 C ATOM 0 H THR A 103 -9.846 5.444 -1.735 1.00 0.00 H new ATOM 0 HA THR A 103 -9.145 8.026 -2.716 1.00 0.00 H new ATOM 0 HB THR A 103 -9.759 7.146 -0.380 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.054 9.191 -1.216 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.839 6.838 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.981 5.532 -0.053 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.751 6.801 -0.261 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.859 5.699 -2.711 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.519 5.373 -3.173 1.00 0.00 C ATOM 1620 C LEU A 104 -5.420 5.552 -4.682 1.00 0.00 C ATOM 1621 O LEU A 104 -4.354 5.865 -5.212 1.00 0.00 O ATOM 1622 CB LEU A 104 -5.152 3.938 -2.791 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.766 3.737 -1.324 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.412 2.281 -1.061 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.606 4.644 -0.952 1.00 0.00 C ATOM 0 H LEU A 104 -7.407 4.896 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.817 6.053 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.998 3.290 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.321 3.613 -3.417 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.622 4.000 -0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.140 2.156 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.271 1.651 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.571 1.992 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.344 4.489 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.746 4.411 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.894 5.684 -1.103 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.542 5.355 -5.371 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.579 5.498 -6.820 1.00 0.00 C ATOM 1639 C GLN A 105 -6.361 6.945 -7.231 1.00 0.00 C ATOM 1640 O GLN A 105 -5.784 7.223 -8.283 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.912 4.991 -7.374 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.990 3.477 -7.477 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.340 2.995 -7.970 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.381 3.523 -7.582 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.326 1.985 -8.833 1.00 0.00 N ATOM 0 H GLN A 105 -7.434 5.097 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.771 4.897 -7.237 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.720 5.346 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.074 5.423 -8.362 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.212 3.122 -8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.787 3.039 -6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.438 1.578 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.203 1.617 -9.201 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.823 7.867 -6.398 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.671 9.286 -6.682 1.00 0.00 C ATOM 1656 C GLN A 106 -5.199 9.680 -6.659 1.00 0.00 C ATOM 1657 O GLN A 106 -4.743 10.459 -7.494 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.481 10.130 -5.686 1.00 0.00 C ATOM 1659 CG GLN A 106 -6.710 10.551 -4.443 1.00 0.00 C ATOM 1660 CD GLN A 106 -7.621 10.915 -3.286 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -8.220 10.044 -2.655 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -7.728 12.207 -3.003 1.00 0.00 N ATOM 0 H GLN A 106 -7.304 7.658 -5.523 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.060 9.481 -7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.841 11.024 -6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -8.360 9.563 -5.379 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.049 9.740 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.077 11.405 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.213 12.894 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.326 12.513 -2.235 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.455 9.121 -5.709 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.032 9.403 -5.602 1.00 0.00 C ATOM 1673 C ILE A 107 -2.326 9.003 -6.890 1.00 0.00 C ATOM 1674 O ILE A 107 -1.489 9.739 -7.414 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.402 8.657 -4.411 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.043 9.117 -3.101 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.897 8.876 -4.380 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.759 8.199 -1.933 1.00 0.00 C ATOM 0 H ILE A 107 -4.814 8.474 -5.007 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.912 10.474 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.587 7.589 -4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.683 10.118 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.122 9.191 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.469 8.342 -3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.456 8.503 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.686 9.941 -4.282 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.245 8.588 -1.038 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.144 7.203 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.683 8.144 -1.767 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.693 7.836 -7.407 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.125 7.327 -8.653 1.00 0.00 C ATOM 1692 C ILE A 108 -2.239 8.373 -9.741 1.00 0.00 C ATOM 1693 O ILE A 108 -1.263 8.729 -10.402 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.863 6.064 -9.137 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.148 5.113 -7.975 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.060 5.372 -10.221 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.960 4.876 -7.069 1.00 0.00 C ATOM 0 H ILE A 108 -3.385 7.220 -6.981 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.081 7.084 -8.454 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.823 6.366 -9.557 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.969 5.516 -7.382 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.483 4.156 -8.376 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.592 4.481 -10.555 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.925 6.051 -11.063 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.085 5.086 -9.825 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.243 4.191 -6.270 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.143 4.443 -7.646 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.637 5.823 -6.637 1.00 0.00 H new ATOM 1709 N SER A 109 -3.454 8.853 -9.907 1.00 0.00 N ATOM 1710 CA SER A 109 -3.757 9.868 -10.909 1.00 0.00 C ATOM 1711 C SER A 109 -2.889 11.105 -10.715 1.00 0.00 C ATOM 1712 O SER A 109 -2.568 11.810 -11.671 1.00 0.00 O ATOM 1713 CB SER A 109 -5.237 10.251 -10.847 1.00 0.00 C ATOM 1714 OG SER A 109 -6.067 9.111 -10.984 1.00 0.00 O ATOM 0 H SER A 109 -4.260 8.556 -9.357 1.00 0.00 H new ATOM 0 HA SER A 109 -3.539 9.448 -11.891 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.448 10.746 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.464 10.966 -11.637 1.00 0.00 H new ATOM 0 HG SER A 109 -7.007 9.384 -10.939 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.513 11.359 -9.469 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.682 12.507 -9.142 1.00 0.00 C ATOM 1722 C ARG A 110 -0.255 12.302 -9.629 1.00 0.00 C ATOM 1723 O ARG A 110 0.420 13.249 -10.029 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.691 12.766 -7.634 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.084 12.966 -7.060 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.424 14.441 -6.927 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.867 14.673 -6.930 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.426 15.866 -7.118 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -4.668 16.937 -7.317 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.746 15.988 -7.107 1.00 0.00 N ATOM 0 H ARG A 110 -2.771 10.784 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.098 13.377 -9.650 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.215 11.927 -7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.089 13.650 -7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.817 12.479 -7.703 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -3.149 12.487 -6.083 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.996 14.830 -6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.966 14.994 -7.747 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.482 13.873 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.652 16.848 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.101 17.849 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.333 15.168 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.175 16.902 -7.251 1.00 0.00 H new ATOM 1744 N TYR A 111 0.193 11.055 -9.597 1.00 0.00 N ATOM 1745 CA TYR A 111 1.538 10.719 -10.040 1.00 0.00 C ATOM 1746 C TYR A 111 1.651 10.844 -11.554 1.00 0.00 C ATOM 1747 O TYR A 111 2.721 11.136 -12.088 1.00 0.00 O ATOM 1748 CB TYR A 111 1.912 9.304 -9.597 1.00 0.00 C ATOM 1749 CG TYR A 111 2.444 9.237 -8.184 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.761 9.578 -7.901 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.631 8.834 -7.132 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.251 9.521 -6.610 1.00 0.00 C ATOM 1753 CE2 TYR A 111 2.114 8.774 -5.839 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.424 9.118 -5.583 1.00 0.00 C ATOM 1755 OH TYR A 111 3.910 9.059 -4.297 1.00 0.00 O ATOM 0 H TYR A 111 -0.355 10.260 -9.269 1.00 0.00 H new ATOM 0 HA TYR A 111 2.233 11.422 -9.581 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.034 8.662 -9.677 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.663 8.904 -10.279 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.412 9.893 -8.703 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.604 8.563 -7.328 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.277 9.791 -6.407 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.468 8.459 -5.033 1.00 0.00 H new ATOM 0 HH TYR A 111 3.183 9.234 -3.664 1.00 0.00 H new ATOM 1765 N LYS A 112 0.536 10.625 -12.236 1.00 0.00 N ATOM 1766 CA LYS A 112 0.494 10.717 -13.688 1.00 0.00 C ATOM 1767 C LYS A 112 0.633 12.166 -14.141 1.00 0.00 C ATOM 1768 O LYS A 112 1.307 12.456 -15.129 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.812 10.126 -14.220 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.947 8.631 -13.980 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.182 8.067 -14.665 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.271 7.727 -13.661 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.010 6.490 -14.039 1.00 0.00 N ATOM 0 H LYS A 112 -0.355 10.381 -11.804 1.00 0.00 H new ATOM 0 HA LYS A 112 1.331 10.146 -14.090 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.651 10.638 -13.749 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.880 10.321 -15.290 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.058 8.120 -14.351 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.003 8.437 -12.909 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.563 8.792 -15.385 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.911 7.173 -15.226 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.827 7.597 -12.674 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.971 8.560 -13.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.744 6.293 -13.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.456 6.622 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.347 5.690 -14.083 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.012 13.071 -13.411 1.00 0.00 N ATOM 1788 CA ASP A 113 0.039 14.492 -13.736 1.00 0.00 C ATOM 1789 C ASP A 113 1.475 15.005 -13.716 1.00 0.00 C ATOM 1790 O ASP A 113 1.855 15.848 -14.529 1.00 0.00 O ATOM 1791 CB ASP A 113 -0.816 15.294 -12.752 1.00 0.00 C ATOM 1792 CG ASP A 113 -0.970 16.744 -13.165 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -0.652 17.068 -14.329 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -1.408 17.557 -12.325 1.00 0.00 O ATOM 0 H ASP A 113 -0.576 12.846 -12.591 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.359 14.622 -14.742 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.802 14.835 -12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.364 15.248 -11.761 1.00 0.00 H new ATOM 1799 N ALA A 114 2.268 14.492 -12.782 1.00 0.00 N ATOM 1800 CA ALA A 114 3.662 14.898 -12.655 1.00 0.00 C ATOM 1801 C ALA A 114 4.444 14.577 -13.924 1.00 0.00 C ATOM 1802 O ALA A 114 5.381 15.290 -14.285 1.00 0.00 O ATOM 1803 CB ALA A 114 4.302 14.221 -11.452 1.00 0.00 C ATOM 0 H ALA A 114 1.969 13.794 -12.101 1.00 0.00 H new ATOM 0 HA ALA A 114 3.689 15.977 -12.506 1.00 0.00 H new ATOM 0 HB1 ALA A 114 5.343 14.534 -11.370 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.765 14.505 -10.547 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.257 13.139 -11.577 1.00 0.00 H new ATOM 1809 N ASP A 115 4.058 13.497 -14.595 1.00 0.00 N ATOM 1810 CA ASP A 115 4.722 13.080 -15.823 1.00 0.00 C ATOM 1811 C ASP A 115 3.716 12.903 -16.955 1.00 0.00 C ATOM 1812 O ASP A 115 3.997 12.109 -17.877 1.00 0.00 O ATOM 1813 CB ASP A 115 5.487 11.774 -15.596 1.00 0.00 C ATOM 1814 CG ASP A 115 6.639 11.939 -14.624 1.00 0.00 C ATOM 1815 OD1 ASP A 115 7.044 13.093 -14.372 1.00 0.00 O ATOM 1816 OD2 ASP A 115 7.138 10.912 -14.116 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.655 13.560 -16.910 1.00 0.00 O ATOM 0 H ASP A 115 3.287 12.894 -14.308 1.00 0.00 H new ATOM 0 HA ASP A 115 5.426 13.862 -16.108 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.801 11.016 -15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.869 11.410 -16.550 1.00 0.00 H new TER 1822 ASP A 115