USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 819 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 88 CYS SG : rot -130:sc= -0.63 USER MOD Set 1.2: A 95 SER OG : rot -142:sc= 0.162 USER MOD Set 2.1: A 77 GLN : amide:sc=-0.00644 K(o=0.62,f=0.087) USER MOD Set 2.2: A 80 THR OG1 : rot 62:sc= 0.63 USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 61 LYS NZ :NH3+ 151:sc= 0.00359 (180deg=0) USER MOD Set 4.1: A 39 THR OG1 : rot 180:sc= -0.936 USER MOD Set 4.2: A 42 HIS : no HE2:sc= -0.581 K(o=-5.1,f=-6) USER MOD Set 4.3: A 90 ASN : amide:sc= -3.54! C(o=-5.1!,f=-9.2!) USER MOD Set 5.1: A 31 TYR OH : rot 180:sc= -3.14! USER MOD Set 5.2: A 36 ASN : amide:sc= -3.71! C(o=-6.9!,f=-11!) USER MOD Set 6.1: A 17 THR OG1 : rot 160:sc=-0.000373 USER MOD Set 6.2: A 101 MET CE :methyl -102:sc= -0.0488 (180deg=-0.00239) USER MOD Set 7.1: A 5 SER OG : rot 151:sc= 0.214 USER MOD Set 7.2: A 37 ASN : amide:sc= 0.195 K(o=0.41,f=-0.15) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.97 K(o=-2,f=-4.5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 158:sc= -10! (180deg=-11.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -128:sc= 0 (180deg=-2.28) USER MOD Single : A 35 SER OG : rot -58:sc= 0.771 USER MOD Single : A 38 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.9!) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.61 USER MOD Single : A 48 TYR OH : rot 13:sc= 1.01 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -39:sc= -1.45 USER MOD Single : A 55 ASN : amide:sc= -3.5 K(o=-3.5,f=-2.6) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0185 (180deg=-0.215) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 100:sc= -2.42 USER MOD Single : A 71 HIS : no HD1:sc= -0.0889 X(o=-0.089,f=0) USER MOD Single : A 72 SER OG : rot 44:sc= 1.06 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0187 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 170:sc= -9.26! USER MOD Single : A 85 LYS NZ :NH3+ -126:sc= 0.00133 (180deg=-0.0577) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.519 (180deg=-2.5!) USER MOD Single : A 87 GLN : amide:sc= -2.58 X(o=-2.6,f=-2.6!) USER MOD Single : A 98 SER OG : rot 160:sc= 0.646 USER MOD Single : A 99 ASN : amide:sc= -2.69 K(o=-2.7,f=0.18) USER MOD Single : A 103 CYS SG : rot 160:sc= -0.19 USER MOD Single : A 105 THR OG1 : rot -172:sc= 2.26 USER MOD Single : A 106 LYS NZ :NH3+ 177:sc= -0.0574 (180deg=-0.0748) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 27:sc= 0.583 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.777 9.827 -12.767 1.00 0.00 N ATOM 2 CA GLY A 1 26.838 10.757 -13.106 1.00 0.00 C ATOM 3 C GLY A 1 27.251 11.619 -11.929 1.00 0.00 C ATOM 4 O GLY A 1 28.248 11.337 -11.264 1.00 0.00 O ATOM 0 H1 GLY A 1 25.531 9.261 -13.604 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.099 9.196 -12.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.940 10.356 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.703 10.201 -13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.508 11.398 -13.924 1.00 0.00 H new ATOM 8 N SER A 2 26.484 12.674 -11.673 1.00 0.00 N ATOM 9 CA SER A 2 26.778 13.583 -10.571 1.00 0.00 C ATOM 10 C SER A 2 25.545 13.797 -9.698 1.00 0.00 C ATOM 11 O SER A 2 25.607 13.669 -8.476 1.00 0.00 O ATOM 12 CB SER A 2 27.275 14.927 -11.110 1.00 0.00 C ATOM 13 OG SER A 2 28.381 14.750 -11.979 1.00 0.00 O ATOM 0 H SER A 2 25.655 12.920 -12.213 1.00 0.00 H new ATOM 0 HA SER A 2 27.560 13.132 -9.960 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.467 15.430 -11.642 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.561 15.572 -10.279 1.00 0.00 H new ATOM 0 HG SER A 2 28.679 15.623 -12.311 1.00 0.00 H new ATOM 19 N SER A 3 24.426 14.123 -10.336 1.00 0.00 N ATOM 20 CA SER A 3 23.178 14.358 -9.619 1.00 0.00 C ATOM 21 C SER A 3 21.976 14.138 -10.533 1.00 0.00 C ATOM 22 O SER A 3 21.744 14.904 -11.467 1.00 0.00 O ATOM 23 CB SER A 3 23.150 15.780 -9.054 1.00 0.00 C ATOM 24 OG SER A 3 21.894 16.071 -8.468 1.00 0.00 O ATOM 0 H SER A 3 24.358 14.230 -11.348 1.00 0.00 H new ATOM 0 HA SER A 3 23.121 13.646 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.938 15.894 -8.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.358 16.495 -9.850 1.00 0.00 H new ATOM 0 HG SER A 3 21.902 16.984 -8.113 1.00 0.00 H new ATOM 30 N GLY A 4 21.215 13.084 -10.255 1.00 0.00 N ATOM 31 CA GLY A 4 20.046 12.780 -11.060 1.00 0.00 C ATOM 32 C GLY A 4 18.941 12.126 -10.254 1.00 0.00 C ATOM 33 O GLY A 4 18.245 11.240 -10.748 1.00 0.00 O ATOM 0 H GLY A 4 21.387 12.435 -9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.669 13.699 -11.509 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.334 12.120 -11.878 1.00 0.00 H new ATOM 37 N SER A 5 18.780 12.564 -9.009 1.00 0.00 N ATOM 38 CA SER A 5 17.755 12.011 -8.131 1.00 0.00 C ATOM 39 C SER A 5 16.406 12.676 -8.386 1.00 0.00 C ATOM 40 O SER A 5 15.636 12.918 -7.456 1.00 0.00 O ATOM 41 CB SER A 5 18.158 12.192 -6.666 1.00 0.00 C ATOM 42 OG SER A 5 18.344 13.561 -6.353 1.00 0.00 O ATOM 0 H SER A 5 19.346 13.300 -8.586 1.00 0.00 H new ATOM 0 HA SER A 5 17.662 10.946 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.389 11.769 -6.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.078 11.642 -6.468 1.00 0.00 H new ATOM 0 HG SER A 5 18.147 13.709 -5.404 1.00 0.00 H new ATOM 48 N SER A 6 16.127 12.970 -9.652 1.00 0.00 N ATOM 49 CA SER A 6 14.873 13.610 -10.029 1.00 0.00 C ATOM 50 C SER A 6 13.702 13.012 -9.255 1.00 0.00 C ATOM 51 O SER A 6 13.253 11.904 -9.546 1.00 0.00 O ATOM 52 CB SER A 6 14.633 13.463 -11.533 1.00 0.00 C ATOM 53 OG SER A 6 15.686 14.050 -12.278 1.00 0.00 O ATOM 0 H SER A 6 16.753 12.775 -10.434 1.00 0.00 H new ATOM 0 HA SER A 6 14.946 14.669 -9.781 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.547 12.407 -11.789 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.687 13.934 -11.801 1.00 0.00 H new ATOM 0 HG SER A 6 15.509 13.941 -13.236 1.00 0.00 H new ATOM 59 N GLY A 7 13.213 13.754 -8.267 1.00 0.00 N ATOM 60 CA GLY A 7 12.100 13.282 -7.465 1.00 0.00 C ATOM 61 C GLY A 7 12.520 12.244 -6.443 1.00 0.00 C ATOM 62 O GLY A 7 13.659 11.777 -6.434 1.00 0.00 O ATOM 0 H GLY A 7 13.568 14.674 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.642 14.128 -6.952 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.340 12.856 -8.120 1.00 0.00 H new ATOM 66 N PRO A 8 11.586 11.869 -5.556 1.00 0.00 N ATOM 67 CA PRO A 8 11.843 10.877 -4.508 1.00 0.00 C ATOM 68 C PRO A 8 12.014 9.470 -5.071 1.00 0.00 C ATOM 69 O PRO A 8 11.282 9.058 -5.971 1.00 0.00 O ATOM 70 CB PRO A 8 10.591 10.955 -3.632 1.00 0.00 C ATOM 71 CG PRO A 8 9.524 11.460 -4.540 1.00 0.00 C ATOM 72 CD PRO A 8 10.208 12.385 -5.508 1.00 0.00 C ATOM 0 HA PRO A 8 12.769 11.082 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.333 9.978 -3.223 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.741 11.626 -2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.036 10.638 -5.064 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.750 11.985 -3.979 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.735 12.361 -6.490 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.178 13.419 -5.165 1.00 0.00 H new ATOM 80 N VAL A 9 12.983 8.736 -4.535 1.00 0.00 N ATOM 81 CA VAL A 9 13.249 7.374 -4.983 1.00 0.00 C ATOM 82 C VAL A 9 13.193 6.392 -3.818 1.00 0.00 C ATOM 83 O VAL A 9 12.637 5.301 -3.940 1.00 0.00 O ATOM 84 CB VAL A 9 14.625 7.266 -5.665 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.660 8.106 -6.933 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.729 7.686 -4.707 1.00 0.00 C ATOM 0 H VAL A 9 13.598 9.062 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 9 12.473 7.121 -5.706 1.00 0.00 H new ATOM 0 HB VAL A 9 14.793 6.225 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.640 8.017 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.894 7.754 -7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.470 9.150 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.695 7.603 -5.206 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.568 8.718 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.717 7.038 -3.831 1.00 0.00 H new ATOM 96 N ALA A 10 13.771 6.788 -2.689 1.00 0.00 N ATOM 97 CA ALA A 10 13.785 5.944 -1.501 1.00 0.00 C ATOM 98 C ALA A 10 12.456 5.216 -1.329 1.00 0.00 C ATOM 99 O ALA A 10 12.419 4.064 -0.898 1.00 0.00 O ATOM 100 CB ALA A 10 14.096 6.776 -0.266 1.00 0.00 C ATOM 0 H ALA A 10 14.236 7.688 -2.572 1.00 0.00 H new ATOM 0 HA ALA A 10 14.566 5.195 -1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.103 6.133 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.073 7.246 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.335 7.547 -0.146 1.00 0.00 H new ATOM 106 N GLY A 11 11.365 5.896 -1.669 1.00 0.00 N ATOM 107 CA GLY A 11 10.049 5.297 -1.545 1.00 0.00 C ATOM 108 C GLY A 11 9.740 4.865 -0.125 1.00 0.00 C ATOM 109 O GLY A 11 10.637 4.584 0.670 1.00 0.00 O ATOM 0 H GLY A 11 11.369 6.851 -2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.295 6.011 -1.876 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.982 4.433 -2.207 1.00 0.00 H new ATOM 113 N PRO A 12 8.443 4.810 0.212 1.00 0.00 N ATOM 114 CA PRO A 12 7.989 4.411 1.547 1.00 0.00 C ATOM 115 C PRO A 12 8.225 2.930 1.822 1.00 0.00 C ATOM 116 O PRO A 12 8.428 2.142 0.897 1.00 0.00 O ATOM 117 CB PRO A 12 6.489 4.717 1.518 1.00 0.00 C ATOM 118 CG PRO A 12 6.117 4.649 0.077 1.00 0.00 C ATOM 119 CD PRO A 12 7.320 5.131 -0.685 1.00 0.00 C ATOM 0 HA PRO A 12 8.530 4.936 2.335 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.926 3.993 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.277 5.701 1.936 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.855 3.631 -0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.248 5.273 -0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.416 4.626 -1.646 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.263 6.200 -0.891 1.00 0.00 H new ATOM 127 N TYR A 13 8.195 2.557 3.096 1.00 0.00 N ATOM 128 CA TYR A 13 8.408 1.170 3.492 1.00 0.00 C ATOM 129 C TYR A 13 7.364 0.728 4.513 1.00 0.00 C ATOM 130 O TYR A 13 7.349 1.206 5.648 1.00 0.00 O ATOM 131 CB TYR A 13 9.812 0.992 4.072 1.00 0.00 C ATOM 132 CG TYR A 13 9.944 -0.206 4.984 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.891 -1.499 4.477 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.119 -0.047 6.353 1.00 0.00 C ATOM 135 CE1 TYR A 13 10.010 -2.597 5.307 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.240 -1.139 7.190 1.00 0.00 C ATOM 137 CZ TYR A 13 10.185 -2.412 6.662 1.00 0.00 C ATOM 138 OH TYR A 13 10.304 -3.503 7.493 1.00 0.00 O ATOM 0 H TYR A 13 8.025 3.196 3.873 1.00 0.00 H new ATOM 0 HA TYR A 13 8.308 0.546 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.524 0.894 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.084 1.891 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.754 -1.648 3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 13 10.161 0.948 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.966 -3.595 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.377 -0.997 8.252 1.00 0.00 H new ATOM 0 HH TYR A 13 10.423 -3.199 8.417 1.00 0.00 H new ATOM 148 N ILE A 14 6.494 -0.188 4.101 1.00 0.00 N ATOM 149 CA ILE A 14 5.448 -0.696 4.980 1.00 0.00 C ATOM 150 C ILE A 14 6.043 -1.404 6.192 1.00 0.00 C ATOM 151 O ILE A 14 6.778 -2.382 6.055 1.00 0.00 O ATOM 152 CB ILE A 14 4.514 -1.670 4.238 1.00 0.00 C ATOM 153 CG1 ILE A 14 3.986 -1.027 2.954 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.362 -2.089 5.139 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.555 -2.031 1.908 1.00 0.00 C ATOM 0 H ILE A 14 6.493 -0.593 3.165 1.00 0.00 H new ATOM 0 HA ILE A 14 4.870 0.166 5.314 1.00 0.00 H new ATOM 0 HB ILE A 14 5.082 -2.561 3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.140 -0.385 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.761 -0.386 2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.711 -2.777 4.600 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.756 -2.582 6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.793 -1.208 5.435 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.192 -1.504 1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.404 -2.657 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.758 -2.656 2.310 1.00 0.00 H new ATOM 167 N THR A 15 5.719 -0.904 7.381 1.00 0.00 N ATOM 168 CA THR A 15 6.221 -1.488 8.618 1.00 0.00 C ATOM 169 C THR A 15 5.078 -1.989 9.493 1.00 0.00 C ATOM 170 O THR A 15 5.292 -2.418 10.627 1.00 0.00 O ATOM 171 CB THR A 15 7.059 -0.474 9.419 1.00 0.00 C ATOM 172 OG1 THR A 15 6.214 0.263 10.311 1.00 0.00 O ATOM 173 CG2 THR A 15 7.782 0.487 8.487 1.00 0.00 C ATOM 0 H THR A 15 5.111 -0.096 7.513 1.00 0.00 H new ATOM 0 HA THR A 15 6.855 -2.329 8.336 1.00 0.00 H new ATOM 0 HB THR A 15 7.803 -1.025 9.995 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.754 0.905 10.818 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.367 1.194 9.076 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.445 -0.074 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.052 1.031 7.888 1.00 0.00 H new ATOM 181 N PHE A 16 3.862 -1.933 8.959 1.00 0.00 N ATOM 182 CA PHE A 16 2.684 -2.382 9.692 1.00 0.00 C ATOM 183 C PHE A 16 1.601 -2.871 8.734 1.00 0.00 C ATOM 184 O PHE A 16 1.117 -2.119 7.888 1.00 0.00 O ATOM 185 CB PHE A 16 2.136 -1.248 10.561 1.00 0.00 C ATOM 186 CG PHE A 16 1.277 -1.725 11.697 1.00 0.00 C ATOM 187 CD1 PHE A 16 0.048 -2.316 11.453 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.699 -1.584 13.009 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.745 -2.755 12.496 1.00 0.00 C ATOM 190 CE2 PHE A 16 0.911 -2.022 14.057 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.312 -2.609 13.800 1.00 0.00 C ATOM 0 H PHE A 16 3.667 -1.581 8.022 1.00 0.00 H new ATOM 0 HA PHE A 16 2.980 -3.212 10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.970 -0.674 10.963 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.554 -0.570 9.936 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.294 -2.435 10.436 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.655 -1.126 13.216 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.702 -3.212 12.292 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.252 -1.905 15.075 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.929 -2.953 14.617 1.00 0.00 H new ATOM 201 N THR A 17 1.226 -4.139 8.874 1.00 0.00 N ATOM 202 CA THR A 17 0.203 -4.731 8.021 1.00 0.00 C ATOM 203 C THR A 17 -0.727 -5.634 8.824 1.00 0.00 C ATOM 204 O THR A 17 -0.322 -6.697 9.295 1.00 0.00 O ATOM 205 CB THR A 17 0.830 -5.548 6.876 1.00 0.00 C ATOM 206 OG1 THR A 17 2.070 -6.122 7.305 1.00 0.00 O ATOM 207 CG2 THR A 17 1.065 -4.674 5.653 1.00 0.00 C ATOM 0 H THR A 17 1.615 -4.775 9.570 1.00 0.00 H new ATOM 0 HA THR A 17 -0.371 -3.907 7.597 1.00 0.00 H new ATOM 0 HB THR A 17 0.137 -6.344 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.301 -6.875 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.508 -5.273 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.115 -4.263 5.311 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.740 -3.859 5.913 1.00 0.00 H new ATOM 215 N ASP A 18 -1.975 -5.204 8.976 1.00 0.00 N ATOM 216 CA ASP A 18 -2.964 -5.975 9.721 1.00 0.00 C ATOM 217 C ASP A 18 -4.322 -5.930 9.028 1.00 0.00 C ATOM 218 O ASP A 18 -4.711 -4.905 8.469 1.00 0.00 O ATOM 219 CB ASP A 18 -3.088 -5.440 11.149 1.00 0.00 C ATOM 220 CG ASP A 18 -3.820 -4.114 11.209 1.00 0.00 C ATOM 221 OD1 ASP A 18 -3.399 -3.171 10.505 1.00 0.00 O ATOM 222 OD2 ASP A 18 -4.813 -4.018 11.959 1.00 0.00 O ATOM 0 H ASP A 18 -2.326 -4.326 8.593 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.629 -7.012 9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.615 -6.171 11.763 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.093 -5.322 11.577 1.00 0.00 H new ATOM 227 N ALA A 19 -5.038 -7.049 9.068 1.00 0.00 N ATOM 228 CA ALA A 19 -6.353 -7.137 8.445 1.00 0.00 C ATOM 229 C ALA A 19 -7.435 -6.582 9.366 1.00 0.00 C ATOM 230 O ALA A 19 -7.638 -7.081 10.473 1.00 0.00 O ATOM 231 CB ALA A 19 -6.664 -8.579 8.071 1.00 0.00 C ATOM 0 H ALA A 19 -4.730 -7.907 9.525 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.340 -6.533 7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.649 -8.630 7.607 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.913 -8.943 7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.653 -9.198 8.968 1.00 0.00 H new ATOM 237 N VAL A 20 -8.127 -5.546 8.901 1.00 0.00 N ATOM 238 CA VAL A 20 -9.188 -4.924 9.682 1.00 0.00 C ATOM 239 C VAL A 20 -10.487 -5.715 9.573 1.00 0.00 C ATOM 240 O VAL A 20 -11.337 -5.658 10.461 1.00 0.00 O ATOM 241 CB VAL A 20 -9.443 -3.474 9.228 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.363 -2.762 10.208 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.128 -2.725 9.078 1.00 0.00 C ATOM 0 H VAL A 20 -7.971 -5.121 7.987 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.855 -4.919 10.720 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.935 -3.496 8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.532 -1.739 9.871 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.316 -3.289 10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.901 -2.747 11.195 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.326 -1.702 8.757 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.607 -2.710 10.035 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.507 -3.225 8.334 1.00 0.00 H new ATOM 253 N ASN A 21 -10.634 -6.453 8.478 1.00 0.00 N ATOM 254 CA ASN A 21 -11.830 -7.256 8.252 1.00 0.00 C ATOM 255 C ASN A 21 -11.610 -8.253 7.118 1.00 0.00 C ATOM 256 O ASN A 21 -10.507 -8.365 6.583 1.00 0.00 O ATOM 257 CB ASN A 21 -13.022 -6.353 7.927 1.00 0.00 C ATOM 258 CG ASN A 21 -13.754 -5.892 9.173 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.692 -6.539 10.219 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.451 -4.767 9.067 1.00 0.00 N ATOM 0 H ASN A 21 -9.940 -6.512 7.733 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.042 -7.812 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.674 -5.483 7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.715 -6.890 7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.963 -4.406 9.872 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.474 -4.263 8.180 1.00 0.00 H new ATOM 267 N GLU A 22 -12.667 -8.974 6.758 1.00 0.00 N ATOM 268 CA GLU A 22 -12.588 -9.962 5.688 1.00 0.00 C ATOM 269 C GLU A 22 -12.452 -9.282 4.328 1.00 0.00 C ATOM 270 O GLU A 22 -11.942 -9.870 3.374 1.00 0.00 O ATOM 271 CB GLU A 22 -13.827 -10.860 5.700 1.00 0.00 C ATOM 272 CG GLU A 22 -15.099 -10.147 5.273 1.00 0.00 C ATOM 273 CD GLU A 22 -15.735 -9.362 6.404 1.00 0.00 C ATOM 274 OE1 GLU A 22 -15.603 -9.788 7.570 1.00 0.00 O ATOM 275 OE2 GLU A 22 -16.365 -8.321 6.122 1.00 0.00 O ATOM 0 H GLU A 22 -13.587 -8.893 7.191 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.703 -10.575 5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.657 -11.709 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.965 -11.261 6.704 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.873 -9.471 4.449 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.813 -10.880 4.898 1.00 0.00 H new ATOM 282 N THR A 23 -12.914 -8.038 4.247 1.00 0.00 N ATOM 283 CA THR A 23 -12.847 -7.277 3.005 1.00 0.00 C ATOM 284 C THR A 23 -12.128 -5.949 3.212 1.00 0.00 C ATOM 285 O THR A 23 -12.213 -5.048 2.377 1.00 0.00 O ATOM 286 CB THR A 23 -14.253 -7.004 2.437 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.097 -6.463 3.459 1.00 0.00 O ATOM 288 CG2 THR A 23 -14.870 -8.280 1.884 1.00 0.00 C ATOM 0 H THR A 23 -13.339 -7.536 5.027 1.00 0.00 H new ATOM 0 HA THR A 23 -12.287 -7.883 2.293 1.00 0.00 H new ATOM 0 HB THR A 23 -14.160 -6.283 1.625 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.988 -6.291 3.090 1.00 0.00 H new ATOM 0 HG21 THR A 23 -15.862 -8.063 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.240 -8.673 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.951 -9.020 2.680 1.00 0.00 H new ATOM 296 N THR A 24 -11.418 -5.834 4.331 1.00 0.00 N ATOM 297 CA THR A 24 -10.684 -4.615 4.648 1.00 0.00 C ATOM 298 C THR A 24 -9.313 -4.935 5.231 1.00 0.00 C ATOM 299 O THR A 24 -9.149 -5.922 5.950 1.00 0.00 O ATOM 300 CB THR A 24 -11.461 -3.734 5.644 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.846 -3.691 5.283 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.895 -2.323 5.674 1.00 0.00 C ATOM 0 H THR A 24 -11.336 -6.570 5.032 1.00 0.00 H new ATOM 0 HA THR A 24 -10.559 -4.069 3.713 1.00 0.00 H new ATOM 0 HB THR A 24 -11.359 -4.170 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.333 -3.130 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.460 -1.719 6.384 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.849 -2.357 5.978 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.970 -1.880 4.681 1.00 0.00 H new ATOM 310 N ILE A 25 -8.332 -4.096 4.919 1.00 0.00 N ATOM 311 CA ILE A 25 -6.975 -4.289 5.415 1.00 0.00 C ATOM 312 C ILE A 25 -6.324 -2.957 5.771 1.00 0.00 C ATOM 313 O ILE A 25 -6.412 -1.990 5.014 1.00 0.00 O ATOM 314 CB ILE A 25 -6.096 -5.017 4.381 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.459 -6.503 4.326 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.623 -4.839 4.718 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.554 -7.313 3.424 1.00 0.00 C ATOM 0 H ILE A 25 -8.451 -3.276 4.325 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.052 -4.904 6.312 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.280 -4.580 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.418 -6.916 5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.488 -6.605 3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.015 -5.359 3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.374 -3.778 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.423 -5.252 5.707 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.870 -8.356 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.613 -6.925 2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.526 -7.242 3.781 1.00 0.00 H new ATOM 329 N MET A 26 -5.669 -2.914 6.927 1.00 0.00 N ATOM 330 CA MET A 26 -5.001 -1.701 7.381 1.00 0.00 C ATOM 331 C MET A 26 -3.489 -1.818 7.215 1.00 0.00 C ATOM 332 O MET A 26 -2.868 -2.751 7.726 1.00 0.00 O ATOM 333 CB MET A 26 -5.344 -1.422 8.846 1.00 0.00 C ATOM 334 CG MET A 26 -4.472 -0.351 9.481 1.00 0.00 C ATOM 335 SD MET A 26 -5.171 1.303 9.312 1.00 0.00 S ATOM 336 CE MET A 26 -4.121 1.985 8.031 1.00 0.00 C ATOM 0 H MET A 26 -5.587 -3.705 7.566 1.00 0.00 H new ATOM 0 HA MET A 26 -5.353 -0.871 6.768 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.388 -1.117 8.914 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.244 -2.346 9.416 1.00 0.00 H new ATOM 0 HG2 MET A 26 -4.337 -0.578 10.539 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.484 -0.373 9.021 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.634 2.813 7.542 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.193 2.344 8.475 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.896 1.213 7.295 1.00 0.00 H new ATOM 346 N LEU A 27 -2.902 -0.867 6.496 1.00 0.00 N ATOM 347 CA LEU A 27 -1.462 -0.864 6.262 1.00 0.00 C ATOM 348 C LEU A 27 -0.882 0.533 6.456 1.00 0.00 C ATOM 349 O LEU A 27 -1.423 1.517 5.951 1.00 0.00 O ATOM 350 CB LEU A 27 -1.154 -1.366 4.850 1.00 0.00 C ATOM 351 CG LEU A 27 -1.156 -0.307 3.747 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.373 -0.795 2.538 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.581 0.051 3.352 1.00 0.00 C ATOM 0 H LEU A 27 -3.401 -0.089 6.065 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.999 -1.533 6.987 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.176 -1.848 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.884 -2.133 4.591 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.671 0.590 4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.385 -0.029 1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.657 -1.000 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.829 -1.707 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.562 0.806 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.092 -0.840 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.111 0.444 4.220 1.00 0.00 H new ATOM 365 N LYS A 28 0.224 0.613 7.188 1.00 0.00 N ATOM 366 CA LYS A 28 0.881 1.888 7.446 1.00 0.00 C ATOM 367 C LYS A 28 2.311 1.880 6.916 1.00 0.00 C ATOM 368 O LYS A 28 3.025 0.886 7.045 1.00 0.00 O ATOM 369 CB LYS A 28 0.884 2.189 8.947 1.00 0.00 C ATOM 370 CG LYS A 28 -0.501 2.187 9.570 1.00 0.00 C ATOM 371 CD LYS A 28 -0.436 1.970 11.073 1.00 0.00 C ATOM 372 CE LYS A 28 -1.819 2.018 11.703 1.00 0.00 C ATOM 373 NZ LYS A 28 -2.216 3.407 12.065 1.00 0.00 N ATOM 0 H LYS A 28 0.684 -0.192 7.613 1.00 0.00 H new ATOM 0 HA LYS A 28 0.324 2.667 6.926 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.503 1.450 9.456 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.347 3.162 9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.997 3.134 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.105 1.403 9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.027 1.006 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.198 2.733 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.549 1.601 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.834 1.392 12.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.165 3.397 12.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.534 3.796 12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.227 3.999 11.210 1.00 0.00 H new ATOM 387 N TRP A 29 2.723 2.995 6.322 1.00 0.00 N ATOM 388 CA TRP A 29 4.069 3.116 5.773 1.00 0.00 C ATOM 389 C TRP A 29 4.886 4.138 6.557 1.00 0.00 C ATOM 390 O TRP A 29 4.331 4.982 7.259 1.00 0.00 O ATOM 391 CB TRP A 29 4.007 3.517 4.299 1.00 0.00 C ATOM 392 CG TRP A 29 3.081 4.665 4.034 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.397 5.993 4.050 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.687 4.586 3.715 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.284 6.745 3.760 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.223 5.906 3.550 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.788 3.530 3.550 1.00 0.00 C ATOM 398 CZ2 TRP A 29 -0.102 6.194 3.230 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.526 3.817 3.233 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.961 5.140 3.075 1.00 0.00 C ATOM 0 H TRP A 29 2.145 3.827 6.208 1.00 0.00 H new ATOM 0 HA TRP A 29 4.558 2.145 5.857 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.008 3.782 3.959 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.687 2.658 3.709 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.378 6.394 4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.253 7.763 3.709 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.114 2.507 3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.439 7.213 3.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.230 3.008 3.105 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.994 5.331 2.826 1.00 0.00 H new ATOM 411 N MET A 30 6.206 4.055 6.431 1.00 0.00 N ATOM 412 CA MET A 30 7.099 4.975 7.127 1.00 0.00 C ATOM 413 C MET A 30 7.984 5.726 6.138 1.00 0.00 C ATOM 414 O MET A 30 8.154 5.301 4.995 1.00 0.00 O ATOM 415 CB MET A 30 7.967 4.214 8.131 1.00 0.00 C ATOM 416 CG MET A 30 9.164 3.522 7.498 1.00 0.00 C ATOM 417 SD MET A 30 10.301 2.842 8.721 1.00 0.00 S ATOM 418 CE MET A 30 11.185 4.318 9.218 1.00 0.00 C ATOM 0 H MET A 30 6.681 3.361 5.854 1.00 0.00 H new ATOM 0 HA MET A 30 6.487 5.701 7.663 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.320 4.909 8.893 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.354 3.469 8.638 1.00 0.00 H new ATOM 0 HG2 MET A 30 8.813 2.720 6.848 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.698 4.233 6.867 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.258 4.143 9.140 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.904 5.147 8.568 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.931 4.564 10.249 1.00 0.00 H new ATOM 428 N TYR A 31 8.544 6.845 6.584 1.00 0.00 N ATOM 429 CA TYR A 31 9.409 7.657 5.737 1.00 0.00 C ATOM 430 C TYR A 31 10.681 8.056 6.480 1.00 0.00 C ATOM 431 O TYR A 31 10.649 8.344 7.676 1.00 0.00 O ATOM 432 CB TYR A 31 8.667 8.909 5.266 1.00 0.00 C ATOM 433 CG TYR A 31 9.365 9.639 4.141 1.00 0.00 C ATOM 434 CD1 TYR A 31 10.478 10.434 4.387 1.00 0.00 C ATOM 435 CD2 TYR A 31 8.913 9.533 2.831 1.00 0.00 C ATOM 436 CE1 TYR A 31 11.118 11.104 3.362 1.00 0.00 C ATOM 437 CE2 TYR A 31 9.548 10.198 1.800 1.00 0.00 C ATOM 438 CZ TYR A 31 10.649 10.983 2.071 1.00 0.00 C ATOM 439 OH TYR A 31 11.285 11.647 1.047 1.00 0.00 O ATOM 0 H TYR A 31 8.414 7.210 7.527 1.00 0.00 H new ATOM 0 HA TYR A 31 9.689 7.060 4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.666 8.627 4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.547 9.589 6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.849 10.530 5.397 1.00 0.00 H new ATOM 0 HD2 TYR A 31 8.050 8.920 2.615 1.00 0.00 H new ATOM 0 HE1 TYR A 31 11.981 11.719 3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.184 10.104 0.787 1.00 0.00 H new ATOM 0 HH TYR A 31 10.830 11.455 0.200 1.00 0.00 H new ATOM 449 N ILE A 32 11.798 8.069 5.761 1.00 0.00 N ATOM 450 CA ILE A 32 13.080 8.433 6.350 1.00 0.00 C ATOM 451 C ILE A 32 13.702 9.620 5.623 1.00 0.00 C ATOM 452 O ILE A 32 13.956 9.579 4.419 1.00 0.00 O ATOM 453 CB ILE A 32 14.069 7.253 6.322 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.400 5.986 6.860 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.314 7.585 7.129 1.00 0.00 C ATOM 456 CD1 ILE A 32 12.436 5.350 5.883 1.00 0.00 C ATOM 0 H ILE A 32 11.841 7.832 4.770 1.00 0.00 H new ATOM 0 HA ILE A 32 12.884 8.707 7.387 1.00 0.00 H new ATOM 0 HB ILE A 32 14.368 7.073 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.171 5.261 7.121 1.00 0.00 H new ATOM 0 HG13 ILE A 32 12.866 6.229 7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.003 6.741 7.099 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.799 8.464 6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.034 7.788 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.000 4.457 6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.644 6.058 5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.969 5.075 4.973 1.00 0.00 H new ATOM 468 N PRO A 33 13.956 10.705 6.370 1.00 0.00 N ATOM 469 CA PRO A 33 14.554 11.924 5.817 1.00 0.00 C ATOM 470 C PRO A 33 16.016 11.729 5.429 1.00 0.00 C ATOM 471 O PRO A 33 16.503 12.341 4.480 1.00 0.00 O ATOM 472 CB PRO A 33 14.436 12.930 6.966 1.00 0.00 C ATOM 473 CG PRO A 33 14.389 12.093 8.198 1.00 0.00 C ATOM 474 CD PRO A 33 13.679 10.825 7.811 1.00 0.00 C ATOM 0 HA PRO A 33 14.057 12.242 4.901 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.285 13.613 6.983 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.538 13.540 6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.394 11.881 8.564 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.859 12.608 8.999 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.058 9.967 8.366 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.609 10.886 8.011 1.00 0.00 H new ATOM 482 N ALA A 34 16.710 10.871 6.170 1.00 0.00 N ATOM 483 CA ALA A 34 18.115 10.593 5.902 1.00 0.00 C ATOM 484 C ALA A 34 18.390 10.549 4.402 1.00 0.00 C ATOM 485 O ALA A 34 18.995 11.464 3.845 1.00 0.00 O ATOM 486 CB ALA A 34 18.528 9.282 6.555 1.00 0.00 C ATOM 0 H ALA A 34 16.322 10.357 6.961 1.00 0.00 H new ATOM 0 HA ALA A 34 18.708 11.402 6.330 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.580 9.087 6.346 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.378 9.349 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.922 8.469 6.154 1.00 0.00 H new ATOM 492 N SER A 35 17.941 9.478 3.755 1.00 0.00 N ATOM 493 CA SER A 35 18.142 9.313 2.320 1.00 0.00 C ATOM 494 C SER A 35 17.005 9.958 1.534 1.00 0.00 C ATOM 495 O SER A 35 16.419 9.339 0.647 1.00 0.00 O ATOM 496 CB SER A 35 18.243 7.828 1.966 1.00 0.00 C ATOM 497 OG SER A 35 18.431 7.647 0.573 1.00 0.00 O ATOM 0 H SER A 35 17.436 8.712 4.201 1.00 0.00 H new ATOM 0 HA SER A 35 19.074 9.809 2.049 1.00 0.00 H new ATOM 0 HB2 SER A 35 19.073 7.377 2.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.337 7.313 2.284 1.00 0.00 H new ATOM 0 HG SER A 35 17.685 8.055 0.086 1.00 0.00 H new ATOM 503 N ASN A 36 16.699 11.208 1.867 1.00 0.00 N ATOM 504 CA ASN A 36 15.632 11.939 1.193 1.00 0.00 C ATOM 505 C ASN A 36 16.159 13.237 0.589 1.00 0.00 C ATOM 506 O ASN A 36 17.055 13.873 1.144 1.00 0.00 O ATOM 507 CB ASN A 36 14.497 12.243 2.173 1.00 0.00 C ATOM 508 CG ASN A 36 13.411 13.100 1.551 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.172 13.041 0.345 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.747 13.903 2.375 1.00 0.00 N ATOM 0 H ASN A 36 17.175 11.735 2.599 1.00 0.00 H new ATOM 0 HA ASN A 36 15.249 11.313 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.062 11.307 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 36 14.902 12.752 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.005 14.503 2.015 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.979 13.919 3.368 1.00 0.00 H new ATOM 517 N ASN A 37 15.596 13.625 -0.551 1.00 0.00 N ATOM 518 CA ASN A 37 16.009 14.847 -1.230 1.00 0.00 C ATOM 519 C ASN A 37 15.193 16.041 -0.746 1.00 0.00 C ATOM 520 O ASN A 37 14.950 16.985 -1.496 1.00 0.00 O ATOM 521 CB ASN A 37 15.855 14.690 -2.744 1.00 0.00 C ATOM 522 CG ASN A 37 16.324 13.334 -3.236 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.518 13.113 -3.437 1.00 0.00 O ATOM 524 ND2 ASN A 37 15.382 12.419 -3.433 1.00 0.00 N ATOM 0 H ASN A 37 14.853 13.111 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 37 17.058 15.027 -0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.809 14.830 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.423 15.472 -3.247 1.00 0.00 H new ATOM 0 HD21 ASN A 37 15.636 11.488 -3.764 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.404 12.647 -3.253 1.00 0.00 H new ATOM 531 N ASN A 38 14.773 15.992 0.514 1.00 0.00 N ATOM 532 CA ASN A 38 13.984 17.070 1.100 1.00 0.00 C ATOM 533 C ASN A 38 12.999 17.637 0.083 1.00 0.00 C ATOM 534 O ASN A 38 12.807 18.851 -0.004 1.00 0.00 O ATOM 535 CB ASN A 38 14.902 18.182 1.612 1.00 0.00 C ATOM 536 CG ASN A 38 14.175 19.165 2.509 1.00 0.00 C ATOM 537 OD1 ASN A 38 12.962 19.343 2.397 1.00 0.00 O ATOM 538 ND2 ASN A 38 14.915 19.809 3.404 1.00 0.00 N ATOM 0 H ASN A 38 14.966 15.217 1.149 1.00 0.00 H new ATOM 0 HA ASN A 38 13.419 16.660 1.937 1.00 0.00 H new ATOM 0 HB2 ASN A 38 15.733 17.739 2.161 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.329 18.716 0.763 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.481 20.483 4.034 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.917 19.629 3.461 1.00 0.00 H new ATOM 545 N THR A 39 12.375 16.750 -0.687 1.00 0.00 N ATOM 546 CA THR A 39 11.409 17.161 -1.698 1.00 0.00 C ATOM 547 C THR A 39 9.983 16.860 -1.252 1.00 0.00 C ATOM 548 O THR A 39 9.701 15.823 -0.652 1.00 0.00 O ATOM 549 CB THR A 39 11.673 16.460 -3.044 1.00 0.00 C ATOM 550 OG1 THR A 39 10.973 17.137 -4.094 1.00 0.00 O ATOM 551 CG2 THR A 39 11.234 15.005 -2.991 1.00 0.00 C ATOM 0 H THR A 39 12.522 15.742 -0.629 1.00 0.00 H new ATOM 0 HA THR A 39 11.526 18.237 -1.828 1.00 0.00 H new ATOM 0 HB THR A 39 12.744 16.493 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.147 16.686 -4.947 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.430 14.531 -3.953 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.789 14.486 -2.210 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.167 14.955 -2.772 1.00 0.00 H new ATOM 559 N PRO A 40 9.061 17.787 -1.551 1.00 0.00 N ATOM 560 CA PRO A 40 7.647 17.641 -1.190 1.00 0.00 C ATOM 561 C PRO A 40 6.953 16.549 -1.996 1.00 0.00 C ATOM 562 O PRO A 40 7.050 16.513 -3.223 1.00 0.00 O ATOM 563 CB PRO A 40 7.053 19.012 -1.525 1.00 0.00 C ATOM 564 CG PRO A 40 7.950 19.567 -2.576 1.00 0.00 C ATOM 565 CD PRO A 40 9.326 19.047 -2.264 1.00 0.00 C ATOM 0 HA PRO A 40 7.520 17.349 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.029 18.922 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.026 19.657 -0.647 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.630 19.251 -3.569 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.934 20.657 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.908 18.881 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.890 19.747 -1.647 1.00 0.00 H new ATOM 573 N ILE A 41 6.253 15.660 -1.299 1.00 0.00 N ATOM 574 CA ILE A 41 5.541 14.568 -1.951 1.00 0.00 C ATOM 575 C ILE A 41 4.109 14.969 -2.289 1.00 0.00 C ATOM 576 O ILE A 41 3.432 15.621 -1.494 1.00 0.00 O ATOM 577 CB ILE A 41 5.515 13.307 -1.067 1.00 0.00 C ATOM 578 CG1 ILE A 41 6.904 13.034 -0.488 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.024 12.109 -1.868 1.00 0.00 C ATOM 580 CD1 ILE A 41 6.986 11.748 0.305 1.00 0.00 C ATOM 0 H ILE A 41 6.164 15.675 -0.283 1.00 0.00 H new ATOM 0 HA ILE A 41 6.079 14.345 -2.872 1.00 0.00 H new ATOM 0 HB ILE A 41 4.825 13.475 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.627 12.996 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.191 13.866 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.011 11.225 -1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.017 12.305 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.692 11.937 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 41 7.999 11.619 0.685 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.287 11.791 1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.730 10.907 -0.339 1.00 0.00 H new ATOM 592 N HIS A 42 3.653 14.573 -3.473 1.00 0.00 N ATOM 593 CA HIS A 42 2.300 14.888 -3.916 1.00 0.00 C ATOM 594 C HIS A 42 1.271 14.060 -3.152 1.00 0.00 C ATOM 595 O HIS A 42 0.220 14.565 -2.760 1.00 0.00 O ATOM 596 CB HIS A 42 2.160 14.638 -5.417 1.00 0.00 C ATOM 597 CG HIS A 42 2.551 15.814 -6.259 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.094 16.003 -7.546 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.359 16.866 -5.990 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.605 17.119 -8.034 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.376 17.662 -7.109 1.00 0.00 N ATOM 0 H HIS A 42 4.201 14.033 -4.143 1.00 0.00 H new ATOM 0 HA HIS A 42 2.115 15.943 -3.713 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.776 13.783 -5.694 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.127 14.371 -5.638 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.460 15.378 -8.044 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.891 17.046 -5.068 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.423 17.519 -9.021 1.00 0.00 H new ATOM 610 N GLY A 43 1.582 12.783 -2.946 1.00 0.00 N ATOM 611 CA GLY A 43 0.674 11.905 -2.231 1.00 0.00 C ATOM 612 C GLY A 43 1.270 10.534 -1.982 1.00 0.00 C ATOM 613 O GLY A 43 2.485 10.394 -1.837 1.00 0.00 O ATOM 0 H GLY A 43 2.446 12.342 -3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.408 12.361 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.249 11.799 -2.802 1.00 0.00 H new ATOM 617 N PHE A 44 0.414 9.519 -1.930 1.00 0.00 N ATOM 618 CA PHE A 44 0.863 8.152 -1.693 1.00 0.00 C ATOM 619 C PHE A 44 -0.004 7.155 -2.457 1.00 0.00 C ATOM 620 O PHE A 44 -1.221 7.108 -2.278 1.00 0.00 O ATOM 621 CB PHE A 44 0.828 7.833 -0.197 1.00 0.00 C ATOM 622 CG PHE A 44 1.987 8.407 0.566 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.290 8.111 0.198 1.00 0.00 C ATOM 624 CD2 PHE A 44 1.775 9.243 1.650 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.359 8.638 0.898 1.00 0.00 C ATOM 626 CE2 PHE A 44 2.840 9.773 2.354 1.00 0.00 C ATOM 627 CZ PHE A 44 4.133 9.470 1.977 1.00 0.00 C ATOM 0 H PHE A 44 -0.594 9.617 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 44 1.889 8.066 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.101 8.216 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.816 6.751 -0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.472 7.461 -0.645 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.765 9.484 1.949 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.370 8.399 0.602 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.661 10.423 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.967 9.883 2.525 1.00 0.00 H new ATOM 637 N TYR A 45 0.632 6.360 -3.310 1.00 0.00 N ATOM 638 CA TYR A 45 -0.079 5.366 -4.105 1.00 0.00 C ATOM 639 C TYR A 45 0.026 3.983 -3.469 1.00 0.00 C ATOM 640 O TYR A 45 1.098 3.574 -3.022 1.00 0.00 O ATOM 641 CB TYR A 45 0.476 5.329 -5.530 1.00 0.00 C ATOM 642 CG TYR A 45 -0.085 6.408 -6.427 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.456 6.554 -6.598 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.756 7.284 -7.103 1.00 0.00 C ATOM 645 CE1 TYR A 45 -1.973 7.538 -7.418 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.248 8.272 -7.924 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.118 8.395 -8.078 1.00 0.00 C ATOM 648 OH TYR A 45 -1.629 9.378 -8.894 1.00 0.00 O ATOM 0 H TYR A 45 1.639 6.385 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.131 5.651 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.561 5.429 -5.491 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.261 4.355 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.129 5.886 -6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.825 7.191 -6.984 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.041 7.636 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.916 8.944 -8.442 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.893 9.896 -9.283 1.00 0.00 H new ATOM 658 N ILE A 46 -1.093 3.269 -3.434 1.00 0.00 N ATOM 659 CA ILE A 46 -1.127 1.931 -2.855 1.00 0.00 C ATOM 660 C ILE A 46 -1.685 0.917 -3.847 1.00 0.00 C ATOM 661 O ILE A 46 -2.823 1.039 -4.302 1.00 0.00 O ATOM 662 CB ILE A 46 -1.975 1.895 -1.570 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.418 2.877 -0.537 1.00 0.00 C ATOM 664 CG2 ILE A 46 -2.015 0.485 -1.001 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.473 3.451 0.382 1.00 0.00 C ATOM 0 H ILE A 46 -1.988 3.594 -3.799 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.098 1.667 -2.609 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.993 2.195 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.662 2.370 0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.918 3.694 -1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.618 0.476 -0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.454 -0.191 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.002 0.158 -0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.006 4.138 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.217 3.986 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.957 2.643 0.930 1.00 0.00 H new ATOM 677 N TYR A 47 -0.878 -0.085 -4.178 1.00 0.00 N ATOM 678 CA TYR A 47 -1.291 -1.121 -5.117 1.00 0.00 C ATOM 679 C TYR A 47 -1.576 -2.432 -4.391 1.00 0.00 C ATOM 680 O TYR A 47 -0.980 -2.723 -3.353 1.00 0.00 O ATOM 681 CB TYR A 47 -0.210 -1.337 -6.177 1.00 0.00 C ATOM 682 CG TYR A 47 0.176 -0.075 -6.915 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.777 0.986 -6.249 1.00 0.00 C ATOM 684 CD2 TYR A 47 -0.060 0.056 -8.278 1.00 0.00 C ATOM 685 CE1 TYR A 47 1.130 2.142 -6.919 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.291 1.207 -8.956 1.00 0.00 C ATOM 687 CZ TYR A 47 0.885 2.247 -8.272 1.00 0.00 C ATOM 688 OH TYR A 47 1.237 3.396 -8.943 1.00 0.00 O ATOM 0 H TYR A 47 0.066 -0.202 -3.810 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.208 -0.790 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.677 -1.754 -5.700 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.562 -2.076 -6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.972 0.906 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.526 -0.756 -8.816 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.595 2.958 -6.386 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.101 1.292 -10.016 1.00 0.00 H new ATOM 0 HH TYR A 47 0.997 3.309 -9.889 1.00 0.00 H new ATOM 698 N TYR A 48 -2.491 -3.221 -4.944 1.00 0.00 N ATOM 699 CA TYR A 48 -2.857 -4.501 -4.350 1.00 0.00 C ATOM 700 C TYR A 48 -3.476 -5.427 -5.391 1.00 0.00 C ATOM 701 O TYR A 48 -4.259 -4.994 -6.237 1.00 0.00 O ATOM 702 CB TYR A 48 -3.836 -4.288 -3.194 1.00 0.00 C ATOM 703 CG TYR A 48 -4.899 -3.252 -3.483 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.623 -1.895 -3.369 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.178 -3.630 -3.871 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.591 -0.945 -3.631 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.152 -2.687 -4.136 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.854 -1.345 -4.015 1.00 0.00 C ATOM 709 OH TYR A 48 -7.820 -0.402 -4.278 1.00 0.00 O ATOM 0 H TYR A 48 -2.993 -2.996 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.950 -4.969 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.319 -5.236 -2.959 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.278 -3.986 -2.308 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.635 -1.578 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.415 -4.679 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.360 0.106 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.142 -2.998 -4.436 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.403 0.482 -4.349 1.00 0.00 H new ATOM 719 N ARG A 49 -3.120 -6.706 -5.322 1.00 0.00 N ATOM 720 CA ARG A 49 -3.639 -7.695 -6.259 1.00 0.00 C ATOM 721 C ARG A 49 -3.643 -9.087 -5.633 1.00 0.00 C ATOM 722 O ARG A 49 -2.724 -9.471 -4.909 1.00 0.00 O ATOM 723 CB ARG A 49 -2.804 -7.703 -7.541 1.00 0.00 C ATOM 724 CG ARG A 49 -1.408 -8.275 -7.355 1.00 0.00 C ATOM 725 CD ARG A 49 -1.380 -9.772 -7.618 1.00 0.00 C ATOM 726 NE ARG A 49 -0.096 -10.367 -7.259 1.00 0.00 N ATOM 727 CZ ARG A 49 1.017 -10.192 -7.963 1.00 0.00 C ATOM 728 NH1 ARG A 49 1.003 -9.444 -9.057 1.00 0.00 N ATOM 729 NH2 ARG A 49 2.148 -10.767 -7.572 1.00 0.00 N ATOM 0 H ARG A 49 -2.474 -7.081 -4.627 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.665 -7.422 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.327 -8.283 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.723 -6.683 -7.918 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.715 -7.773 -8.030 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.064 -8.076 -6.340 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.175 -10.255 -7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.584 -9.959 -8.672 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.051 -10.949 -6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.136 -9.001 -9.361 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.859 -9.312 -9.595 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.163 -11.344 -6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.002 -10.632 -8.113 1.00 0.00 H new ATOM 743 N PRO A 50 -4.700 -9.861 -5.918 1.00 0.00 N ATOM 744 CA PRO A 50 -4.849 -11.222 -5.393 1.00 0.00 C ATOM 745 C PRO A 50 -3.848 -12.194 -6.009 1.00 0.00 C ATOM 746 O PRO A 50 -3.448 -12.040 -7.164 1.00 0.00 O ATOM 747 CB PRO A 50 -6.278 -11.601 -5.791 1.00 0.00 C ATOM 748 CG PRO A 50 -6.575 -10.759 -6.983 1.00 0.00 C ATOM 749 CD PRO A 50 -5.832 -9.468 -6.773 1.00 0.00 C ATOM 0 HA PRO A 50 -4.665 -11.268 -4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.355 -12.662 -6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.980 -11.403 -4.981 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.250 -11.252 -7.900 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -7.646 -10.582 -7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.493 -9.041 -7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.458 -8.718 -6.291 1.00 0.00 H new ATOM 757 N THR A 51 -3.447 -13.195 -5.232 1.00 0.00 N ATOM 758 CA THR A 51 -2.493 -14.191 -5.701 1.00 0.00 C ATOM 759 C THR A 51 -3.002 -14.893 -6.955 1.00 0.00 C ATOM 760 O THR A 51 -2.217 -15.387 -7.764 1.00 0.00 O ATOM 761 CB THR A 51 -2.203 -15.247 -4.617 1.00 0.00 C ATOM 762 OG1 THR A 51 -0.894 -15.796 -4.805 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.237 -16.362 -4.658 1.00 0.00 C ATOM 0 H THR A 51 -3.769 -13.337 -4.275 1.00 0.00 H new ATOM 0 HA THR A 51 -1.571 -13.659 -5.935 1.00 0.00 H new ATOM 0 HB THR A 51 -2.255 -14.760 -3.643 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.717 -16.465 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.012 -17.096 -3.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.229 -15.945 -4.485 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.212 -16.846 -5.635 1.00 0.00 H new ATOM 771 N ASP A 52 -4.321 -14.934 -7.109 1.00 0.00 N ATOM 772 CA ASP A 52 -4.936 -15.575 -8.266 1.00 0.00 C ATOM 773 C ASP A 52 -4.771 -14.715 -9.515 1.00 0.00 C ATOM 774 O ASP A 52 -4.959 -15.188 -10.636 1.00 0.00 O ATOM 775 CB ASP A 52 -6.420 -15.835 -8.003 1.00 0.00 C ATOM 776 CG ASP A 52 -7.193 -16.118 -9.277 1.00 0.00 C ATOM 777 OD1 ASP A 52 -7.373 -15.180 -10.082 1.00 0.00 O ATOM 778 OD2 ASP A 52 -7.616 -17.276 -9.468 1.00 0.00 O ATOM 0 H ASP A 52 -4.985 -14.531 -6.448 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.433 -16.527 -8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.523 -16.681 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.854 -14.970 -7.502 1.00 0.00 H new ATOM 783 N SER A 53 -4.418 -13.449 -9.314 1.00 0.00 N ATOM 784 CA SER A 53 -4.233 -12.522 -10.423 1.00 0.00 C ATOM 785 C SER A 53 -3.336 -13.131 -11.497 1.00 0.00 C ATOM 786 O SER A 53 -2.846 -14.251 -11.349 1.00 0.00 O ATOM 787 CB SER A 53 -3.627 -11.209 -9.922 1.00 0.00 C ATOM 788 OG SER A 53 -4.609 -10.399 -9.300 1.00 0.00 O ATOM 0 H SER A 53 -4.255 -13.042 -8.393 1.00 0.00 H new ATOM 0 HA SER A 53 -5.210 -12.320 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.825 -11.421 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.181 -10.669 -10.757 1.00 0.00 H new ATOM 0 HG SER A 53 -5.450 -10.463 -9.799 1.00 0.00 H new ATOM 794 N ASP A 54 -3.128 -12.387 -12.577 1.00 0.00 N ATOM 795 CA ASP A 54 -2.290 -12.852 -13.676 1.00 0.00 C ATOM 796 C ASP A 54 -1.066 -11.957 -13.843 1.00 0.00 C ATOM 797 O ASP A 54 0.070 -12.426 -13.790 1.00 0.00 O ATOM 798 CB ASP A 54 -3.092 -12.887 -14.978 1.00 0.00 C ATOM 799 CG ASP A 54 -2.581 -13.936 -15.945 1.00 0.00 C ATOM 800 OD1 ASP A 54 -1.375 -14.254 -15.891 1.00 0.00 O ATOM 801 OD2 ASP A 54 -3.386 -14.438 -16.758 1.00 0.00 O ATOM 0 H ASP A 54 -3.528 -11.459 -12.715 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.951 -13.861 -13.439 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.139 -13.086 -14.751 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.050 -11.907 -15.454 1.00 0.00 H new ATOM 806 N ASN A 55 -1.306 -10.665 -14.046 1.00 0.00 N ATOM 807 CA ASN A 55 -0.223 -9.705 -14.222 1.00 0.00 C ATOM 808 C ASN A 55 -0.587 -8.356 -13.609 1.00 0.00 C ATOM 809 O ASN A 55 -1.660 -8.197 -13.026 1.00 0.00 O ATOM 810 CB ASN A 55 0.096 -9.532 -15.708 1.00 0.00 C ATOM 811 CG ASN A 55 -1.130 -9.691 -16.586 1.00 0.00 C ATOM 812 OD1 ASN A 55 -1.569 -10.808 -16.863 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.691 -8.571 -17.028 1.00 0.00 N ATOM 0 H ASN A 55 -2.241 -10.259 -14.093 1.00 0.00 H new ATOM 0 HA ASN A 55 0.658 -10.091 -13.710 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.530 -8.546 -15.871 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.848 -10.264 -16.003 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.519 -8.615 -17.622 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.294 -7.667 -16.774 1.00 0.00 H new ATOM 820 N ASP A 56 0.312 -7.388 -13.745 1.00 0.00 N ATOM 821 CA ASP A 56 0.086 -6.052 -13.206 1.00 0.00 C ATOM 822 C ASP A 56 -1.301 -5.542 -13.584 1.00 0.00 C ATOM 823 O ASP A 56 -1.870 -4.695 -12.896 1.00 0.00 O ATOM 824 CB ASP A 56 1.155 -5.085 -13.716 1.00 0.00 C ATOM 825 CG ASP A 56 2.402 -5.092 -12.853 1.00 0.00 C ATOM 826 OD1 ASP A 56 3.184 -6.060 -12.948 1.00 0.00 O ATOM 827 OD2 ASP A 56 2.594 -4.129 -12.081 1.00 0.00 O ATOM 0 H ASP A 56 1.205 -7.503 -14.224 1.00 0.00 H new ATOM 0 HA ASP A 56 0.149 -6.110 -12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.423 -5.351 -14.739 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.743 -4.076 -13.746 1.00 0.00 H new ATOM 832 N SER A 57 -1.839 -6.062 -14.682 1.00 0.00 N ATOM 833 CA SER A 57 -3.157 -5.656 -15.155 1.00 0.00 C ATOM 834 C SER A 57 -4.165 -5.646 -14.010 1.00 0.00 C ATOM 835 O SER A 57 -5.207 -4.995 -14.091 1.00 0.00 O ATOM 836 CB SER A 57 -3.636 -6.594 -16.264 1.00 0.00 C ATOM 837 OG SER A 57 -4.959 -6.279 -16.662 1.00 0.00 O ATOM 0 H SER A 57 -1.382 -6.766 -15.261 1.00 0.00 H new ATOM 0 HA SER A 57 -3.077 -4.645 -15.555 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.967 -6.520 -17.122 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.594 -7.626 -15.915 1.00 0.00 H new ATOM 0 HG SER A 57 -5.241 -6.892 -17.373 1.00 0.00 H new ATOM 843 N ASP A 58 -3.847 -6.373 -12.944 1.00 0.00 N ATOM 844 CA ASP A 58 -4.724 -6.448 -11.781 1.00 0.00 C ATOM 845 C ASP A 58 -4.343 -5.395 -10.745 1.00 0.00 C ATOM 846 O ASP A 58 -5.198 -4.660 -10.250 1.00 0.00 O ATOM 847 CB ASP A 58 -4.659 -7.843 -11.157 1.00 0.00 C ATOM 848 CG ASP A 58 -4.811 -8.946 -12.186 1.00 0.00 C ATOM 849 OD1 ASP A 58 -4.055 -8.937 -13.180 1.00 0.00 O ATOM 850 OD2 ASP A 58 -5.686 -9.817 -11.998 1.00 0.00 O ATOM 0 H ASP A 58 -2.989 -6.918 -12.861 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.744 -6.254 -12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.707 -7.962 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.444 -7.939 -10.407 1.00 0.00 H new ATOM 855 N TYR A 59 -3.057 -5.330 -10.421 1.00 0.00 N ATOM 856 CA TYR A 59 -2.564 -4.369 -9.440 1.00 0.00 C ATOM 857 C TYR A 59 -3.313 -3.045 -9.551 1.00 0.00 C ATOM 858 O TYR A 59 -3.291 -2.390 -10.593 1.00 0.00 O ATOM 859 CB TYR A 59 -1.064 -4.137 -9.632 1.00 0.00 C ATOM 860 CG TYR A 59 -0.198 -5.062 -8.807 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.451 -5.260 -7.455 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.875 -5.735 -9.378 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.338 -6.103 -6.697 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.668 -6.581 -8.628 1.00 0.00 C ATOM 865 CZ TYR A 59 1.396 -6.762 -7.288 1.00 0.00 C ATOM 866 OH TYR A 59 2.185 -7.602 -6.537 1.00 0.00 O ATOM 0 H TYR A 59 -2.337 -5.930 -10.822 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.737 -4.781 -8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.817 -4.265 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.828 -3.105 -9.373 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.279 -4.746 -6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.093 -5.594 -10.426 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.128 -6.245 -5.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.497 -7.098 -9.088 1.00 0.00 H new ATOM 0 HH TYR A 59 2.885 -7.988 -7.104 1.00 0.00 H new ATOM 876 N LYS A 60 -3.975 -2.656 -8.467 1.00 0.00 N ATOM 877 CA LYS A 60 -4.731 -1.409 -8.438 1.00 0.00 C ATOM 878 C LYS A 60 -3.861 -0.257 -7.943 1.00 0.00 C ATOM 879 O LYS A 60 -2.661 -0.422 -7.722 1.00 0.00 O ATOM 880 CB LYS A 60 -5.961 -1.555 -7.540 1.00 0.00 C ATOM 881 CG LYS A 60 -7.197 -2.043 -8.276 1.00 0.00 C ATOM 882 CD LYS A 60 -8.189 -2.696 -7.329 1.00 0.00 C ATOM 883 CE LYS A 60 -7.803 -4.134 -7.021 1.00 0.00 C ATOM 884 NZ LYS A 60 -8.003 -5.026 -8.197 1.00 0.00 N ATOM 0 H LYS A 60 -4.004 -3.186 -7.596 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.055 -1.186 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.731 -2.250 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.180 -0.592 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.674 -1.204 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.905 -2.756 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.238 -2.125 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.185 -2.672 -7.771 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.759 -4.171 -6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.398 -4.498 -6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.994 -6.018 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.917 -4.812 -8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.238 -4.872 -8.884 1.00 0.00 H new ATOM 898 N LYS A 61 -4.474 0.909 -7.770 1.00 0.00 N ATOM 899 CA LYS A 61 -3.758 2.088 -7.298 1.00 0.00 C ATOM 900 C LYS A 61 -4.664 2.972 -6.448 1.00 0.00 C ATOM 901 O LYS A 61 -5.756 3.348 -6.874 1.00 0.00 O ATOM 902 CB LYS A 61 -3.214 2.888 -8.484 1.00 0.00 C ATOM 903 CG LYS A 61 -2.287 4.021 -8.080 1.00 0.00 C ATOM 904 CD LYS A 61 -1.458 4.510 -9.256 1.00 0.00 C ATOM 905 CE LYS A 61 -2.221 5.528 -10.091 1.00 0.00 C ATOM 906 NZ LYS A 61 -1.317 6.299 -10.987 1.00 0.00 N ATOM 0 H LYS A 61 -5.466 1.063 -7.950 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.925 1.753 -6.680 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.679 2.213 -9.152 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.051 3.299 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.874 4.847 -7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.625 3.684 -7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.534 4.957 -8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.176 3.663 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.975 5.016 -10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.751 6.215 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.839 6.593 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.967 7.141 -10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.512 5.702 -11.265 1.00 0.00 H new ATOM 920 N ASP A 62 -4.204 3.300 -5.246 1.00 0.00 N ATOM 921 CA ASP A 62 -4.973 4.142 -4.336 1.00 0.00 C ATOM 922 C ASP A 62 -4.172 5.374 -3.929 1.00 0.00 C ATOM 923 O ASP A 62 -3.168 5.269 -3.226 1.00 0.00 O ATOM 924 CB ASP A 62 -5.379 3.348 -3.093 1.00 0.00 C ATOM 925 CG ASP A 62 -6.711 2.644 -3.266 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.046 2.282 -4.413 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.418 2.456 -2.254 1.00 0.00 O ATOM 0 H ASP A 62 -3.302 2.996 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.872 4.471 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.608 2.611 -2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.435 4.021 -2.238 1.00 0.00 H new ATOM 932 N MET A 63 -4.623 6.541 -4.377 1.00 0.00 N ATOM 933 CA MET A 63 -3.948 7.794 -4.058 1.00 0.00 C ATOM 934 C MET A 63 -4.286 8.250 -2.642 1.00 0.00 C ATOM 935 O MET A 63 -5.434 8.158 -2.208 1.00 0.00 O ATOM 936 CB MET A 63 -4.340 8.879 -5.063 1.00 0.00 C ATOM 937 CG MET A 63 -3.266 9.935 -5.267 1.00 0.00 C ATOM 938 SD MET A 63 -3.949 11.546 -5.702 1.00 0.00 S ATOM 939 CE MET A 63 -4.139 12.282 -4.081 1.00 0.00 C ATOM 0 H MET A 63 -5.452 6.645 -4.962 1.00 0.00 H new ATOM 0 HA MET A 63 -2.873 7.624 -4.118 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.564 8.411 -6.021 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.255 9.364 -4.723 1.00 0.00 H new ATOM 0 HG2 MET A 63 -2.677 10.029 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.586 9.609 -6.054 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.553 13.285 -4.183 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.813 11.671 -3.481 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.167 12.339 -3.591 1.00 0.00 H new ATOM 949 N VAL A 64 -3.279 8.740 -1.927 1.00 0.00 N ATOM 950 CA VAL A 64 -3.470 9.211 -0.560 1.00 0.00 C ATOM 951 C VAL A 64 -2.605 10.433 -0.273 1.00 0.00 C ATOM 952 O VAL A 64 -1.487 10.545 -0.773 1.00 0.00 O ATOM 953 CB VAL A 64 -3.138 8.109 0.464 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.679 8.476 1.837 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.694 6.770 0.004 1.00 0.00 C ATOM 0 H VAL A 64 -2.322 8.821 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.521 9.483 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.054 8.021 0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.435 7.686 2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.229 9.412 2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.761 8.593 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.450 6.003 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.777 6.842 -0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.254 6.504 -0.957 1.00 0.00 H new ATOM 965 N GLU A 65 -3.132 11.347 0.535 1.00 0.00 N ATOM 966 CA GLU A 65 -2.407 12.562 0.888 1.00 0.00 C ATOM 967 C GLU A 65 -0.911 12.288 1.007 1.00 0.00 C ATOM 968 O GLU A 65 -0.496 11.178 1.338 1.00 0.00 O ATOM 969 CB GLU A 65 -2.938 13.135 2.204 1.00 0.00 C ATOM 970 CG GLU A 65 -4.437 13.384 2.199 1.00 0.00 C ATOM 971 CD GLU A 65 -4.851 14.429 1.181 1.00 0.00 C ATOM 972 OE1 GLU A 65 -3.966 14.938 0.460 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.058 14.739 1.105 1.00 0.00 O ATOM 0 H GLU A 65 -4.057 11.270 0.957 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.563 13.291 0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.695 12.447 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.423 14.072 2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.956 12.449 1.987 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.752 13.705 3.192 1.00 0.00 H new ATOM 980 N GLY A 66 -0.104 13.309 0.733 1.00 0.00 N ATOM 981 CA GLY A 66 1.337 13.158 0.814 1.00 0.00 C ATOM 982 C GLY A 66 1.850 13.242 2.238 1.00 0.00 C ATOM 983 O GLY A 66 3.054 13.153 2.478 1.00 0.00 O ATOM 0 H GLY A 66 -0.423 14.238 0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.623 12.198 0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.815 13.932 0.213 1.00 0.00 H new ATOM 987 N ASP A 67 0.935 13.414 3.186 1.00 0.00 N ATOM 988 CA ASP A 67 1.301 13.510 4.594 1.00 0.00 C ATOM 989 C ASP A 67 0.713 12.348 5.388 1.00 0.00 C ATOM 990 O ASP A 67 1.126 12.084 6.518 1.00 0.00 O ATOM 991 CB ASP A 67 0.819 14.839 5.178 1.00 0.00 C ATOM 992 CG ASP A 67 1.205 16.025 4.316 1.00 0.00 C ATOM 993 OD1 ASP A 67 2.397 16.395 4.317 1.00 0.00 O ATOM 994 OD2 ASP A 67 0.315 16.583 3.642 1.00 0.00 O ATOM 0 H ASP A 67 -0.066 13.490 3.005 1.00 0.00 H new ATOM 0 HA ASP A 67 2.388 13.463 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.265 14.812 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.238 14.967 6.176 1.00 0.00 H new ATOM 999 N ARG A 68 -0.252 11.657 4.791 1.00 0.00 N ATOM 1000 CA ARG A 68 -0.898 10.525 5.444 1.00 0.00 C ATOM 1001 C ARG A 68 0.016 9.303 5.443 1.00 0.00 C ATOM 1002 O ARG A 68 0.610 8.960 4.420 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.216 10.189 4.744 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.171 9.375 5.602 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.033 10.269 6.480 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.296 10.616 5.834 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.222 9.723 5.503 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -6.027 8.436 5.757 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.346 10.116 4.918 1.00 0.00 N ATOM 0 H ARG A 68 -0.604 11.861 3.856 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.104 10.803 6.478 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.707 11.116 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.001 9.636 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.810 8.768 4.961 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.603 8.687 6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.236 9.763 7.424 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.485 11.181 6.718 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.477 11.598 5.626 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.165 8.130 6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.740 7.752 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.500 11.105 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.056 9.429 4.664 1.00 0.00 H new ATOM 1023 N TYR A 69 0.124 8.651 6.595 1.00 0.00 N ATOM 1024 CA TYR A 69 0.968 7.469 6.727 1.00 0.00 C ATOM 1025 C TYR A 69 0.140 6.249 7.118 1.00 0.00 C ATOM 1026 O TYR A 69 0.677 5.240 7.575 1.00 0.00 O ATOM 1027 CB TYR A 69 2.062 7.712 7.769 1.00 0.00 C ATOM 1028 CG TYR A 69 3.259 8.460 7.227 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.099 9.629 6.494 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.550 7.998 7.450 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.189 10.315 5.996 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.647 8.678 6.957 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.461 9.836 6.231 1.00 0.00 C ATOM 1034 OH TYR A 69 6.551 10.518 5.738 1.00 0.00 O ATOM 0 H TYR A 69 -0.362 8.920 7.450 1.00 0.00 H new ATOM 0 HA TYR A 69 1.432 7.275 5.760 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.640 8.274 8.602 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.393 6.753 8.166 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.105 10.008 6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.699 7.092 8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.046 11.221 5.426 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.644 8.305 7.139 1.00 0.00 H new ATOM 0 HH TYR A 69 6.949 11.058 6.452 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.172 6.350 6.935 1.00 0.00 N ATOM 1045 CA TRP A 70 -2.076 5.255 7.267 1.00 0.00 C ATOM 1046 C TRP A 70 -3.237 5.189 6.281 1.00 0.00 C ATOM 1047 O TRP A 70 -3.753 6.219 5.846 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.609 5.420 8.691 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.766 6.369 8.786 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.707 7.733 8.811 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.152 6.023 8.870 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.975 8.256 8.906 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.879 7.227 8.943 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.851 4.813 8.890 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.268 7.255 9.035 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.230 4.841 8.981 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.926 6.055 9.052 1.00 0.00 C ATOM 0 H TRP A 70 -1.633 7.178 6.559 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.516 4.322 7.202 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.915 4.446 9.072 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.804 5.775 9.334 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.799 8.315 8.763 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.205 9.249 8.943 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.323 3.872 8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.807 8.189 9.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.780 3.912 8.998 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -9.004 6.044 9.122 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.644 3.973 5.933 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.746 3.774 4.998 1.00 0.00 C ATOM 1070 C HIS A 71 -5.355 2.384 5.163 1.00 0.00 C ATOM 1071 O HIS A 71 -4.640 1.403 5.365 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.264 3.964 3.560 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.342 3.781 2.537 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -6.294 4.741 2.267 1.00 0.00 N ATOM 1075 CD2 HIS A 71 -5.615 2.741 1.714 1.00 0.00 C ATOM 1076 CE1 HIS A 71 -7.107 4.299 1.324 1.00 0.00 C ATOM 1077 NE2 HIS A 71 -6.716 3.088 0.971 1.00 0.00 N ATOM 0 H HIS A 71 -3.228 3.111 6.284 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.513 4.516 5.217 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.842 4.964 3.456 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.460 3.256 3.359 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.068 1.812 1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.948 4.837 0.912 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.160 2.505 0.261 1.00 0.00 H new ATOM 1086 N SER A 72 -6.679 2.309 5.076 1.00 0.00 N ATOM 1087 CA SER A 72 -7.384 1.041 5.220 1.00 0.00 C ATOM 1088 C SER A 72 -8.057 0.641 3.911 1.00 0.00 C ATOM 1089 O SER A 72 -9.045 1.249 3.498 1.00 0.00 O ATOM 1090 CB SER A 72 -8.428 1.137 6.335 1.00 0.00 C ATOM 1091 OG SER A 72 -9.540 1.914 5.925 1.00 0.00 O ATOM 0 H SER A 72 -7.285 3.112 4.906 1.00 0.00 H new ATOM 0 HA SER A 72 -6.653 0.276 5.481 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.761 0.137 6.613 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.977 1.581 7.223 1.00 0.00 H new ATOM 0 HG SER A 72 -9.799 1.659 5.015 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.514 -0.384 3.263 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.062 -0.866 2.001 1.00 0.00 C ATOM 1099 C ILE A 73 -9.404 -1.558 2.213 1.00 0.00 C ATOM 1100 O ILE A 73 -9.707 -2.024 3.312 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.097 -1.844 1.306 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.690 -1.246 1.240 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.600 -2.182 -0.090 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.629 -2.241 0.824 1.00 0.00 C ATOM 0 H ILE A 73 -6.695 -0.897 3.591 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.203 0.007 1.364 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.054 -2.764 1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.691 -0.413 0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.431 -0.838 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.907 -2.874 -0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.585 -2.644 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.669 -1.270 -0.683 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.657 -1.748 0.799 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.600 -3.063 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.864 -2.631 -0.167 1.00 0.00 H new ATOM 1116 N SER A 74 -10.204 -1.624 1.154 1.00 0.00 N ATOM 1117 CA SER A 74 -11.515 -2.258 1.224 1.00 0.00 C ATOM 1118 C SER A 74 -11.844 -2.971 -0.084 1.00 0.00 C ATOM 1119 O SER A 74 -11.035 -2.995 -1.013 1.00 0.00 O ATOM 1120 CB SER A 74 -12.592 -1.217 1.535 1.00 0.00 C ATOM 1121 OG SER A 74 -12.193 -0.373 2.601 1.00 0.00 O ATOM 0 H SER A 74 -9.967 -1.246 0.237 1.00 0.00 H new ATOM 0 HA SER A 74 -11.492 -2.997 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.790 -0.617 0.647 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.524 -1.720 1.794 1.00 0.00 H new ATOM 0 HG SER A 74 -12.898 0.284 2.779 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.037 -3.553 -0.150 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.475 -4.267 -1.344 1.00 0.00 C ATOM 1129 C HIS A 75 -12.491 -5.376 -1.705 1.00 0.00 C ATOM 1130 O HIS A 75 -12.098 -5.518 -2.864 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.624 -3.299 -2.518 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.977 -2.663 -2.602 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -16.095 -3.331 -3.057 1.00 0.00 N ATOM 1134 CD2 HIS A 75 -15.390 -1.414 -2.285 1.00 0.00 C ATOM 1135 CE1 HIS A 75 -17.136 -2.519 -3.018 1.00 0.00 C ATOM 1136 NE2 HIS A 75 -16.736 -1.350 -2.552 1.00 0.00 N ATOM 0 H HIS A 75 -13.718 -3.544 0.609 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.444 -4.719 -1.132 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.869 -2.518 -2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.425 -3.834 -3.447 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.776 -0.616 -1.895 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -18.143 -2.769 -3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.330 -0.532 -2.413 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.097 -6.158 -0.707 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.158 -7.254 -0.919 1.00 0.00 C ATOM 1147 C LEU A 76 -11.839 -8.603 -0.711 1.00 0.00 C ATOM 1148 O LEU A 76 -13.024 -8.666 -0.386 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.965 -7.121 0.030 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.240 -5.775 0.012 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.543 -5.526 1.340 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.241 -5.722 -1.135 1.00 0.00 C ATOM 0 H LEU A 76 -12.413 -6.054 0.257 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.804 -7.201 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.311 -7.311 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.245 -7.902 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.979 -4.988 -0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.033 -4.563 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.281 -5.519 2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.815 -6.317 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.735 -4.757 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.506 -6.518 -1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.766 -5.853 -2.081 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.081 -9.679 -0.900 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.612 -11.026 -0.732 1.00 0.00 C ATOM 1166 C GLN A 77 -11.376 -11.531 0.688 1.00 0.00 C ATOM 1167 O GLN A 77 -10.342 -11.267 1.303 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.968 -11.980 -1.739 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.201 -11.583 -3.188 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.325 -12.357 -4.153 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.995 -13.519 -3.915 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -9.942 -11.715 -5.250 1.00 0.00 N ATOM 0 H GLN A 77 -10.098 -9.644 -1.169 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.687 -10.991 -0.912 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.895 -12.024 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.361 -12.984 -1.578 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.248 -11.747 -3.442 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -11.009 -10.516 -3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.239 -10.752 -5.407 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.351 -12.185 -5.936 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.355 -12.275 1.223 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.276 -12.833 2.576 1.00 0.00 C ATOM 1183 C PRO A 78 -11.239 -13.944 2.686 1.00 0.00 C ATOM 1184 O PRO A 78 -11.010 -14.688 1.732 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.683 -13.389 2.813 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.212 -13.673 1.450 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.614 -12.630 0.547 1.00 0.00 C ATOM 0 HA PRO A 78 -11.969 -12.085 3.307 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.654 -14.292 3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.310 -12.669 3.339 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.935 -14.676 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.301 -13.623 1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.436 -13.020 -0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.270 -11.766 0.441 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.614 -14.052 3.854 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.600 -15.074 4.087 1.00 0.00 C ATOM 1197 C GLU A 79 -8.803 -15.349 2.815 1.00 0.00 C ATOM 1198 O GLU A 79 -8.552 -16.502 2.462 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.251 -16.366 4.583 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.601 -16.652 3.946 1.00 0.00 C ATOM 1201 CD GLU A 79 -12.071 -18.073 4.188 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.616 -18.981 3.461 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.894 -18.277 5.105 1.00 0.00 O ATOM 0 H GLU A 79 -10.792 -13.444 4.654 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.916 -14.704 4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.580 -17.201 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.374 -16.309 5.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.340 -15.956 4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.538 -16.472 2.873 1.00 0.00 H new ATOM 1210 N THR A 80 -8.409 -14.281 2.128 1.00 0.00 N ATOM 1211 CA THR A 80 -7.642 -14.406 0.895 1.00 0.00 C ATOM 1212 C THR A 80 -6.235 -13.845 1.063 1.00 0.00 C ATOM 1213 O THR A 80 -6.037 -12.630 1.073 1.00 0.00 O ATOM 1214 CB THR A 80 -8.336 -13.680 -0.273 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.626 -14.254 -0.511 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.496 -13.766 -1.539 1.00 0.00 C ATOM 0 H THR A 80 -8.609 -13.320 2.405 1.00 0.00 H new ATOM 0 HA THR A 80 -7.580 -15.470 0.667 1.00 0.00 H new ATOM 0 HB THR A 80 -8.451 -12.631 -0.002 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.185 -14.144 0.286 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.006 -13.246 -2.350 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.526 -13.301 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.354 -14.812 -1.811 1.00 0.00 H new ATOM 1224 N SER A 81 -5.259 -14.738 1.194 1.00 0.00 N ATOM 1225 CA SER A 81 -3.869 -14.332 1.364 1.00 0.00 C ATOM 1226 C SER A 81 -3.287 -13.822 0.050 1.00 0.00 C ATOM 1227 O SER A 81 -2.954 -14.606 -0.840 1.00 0.00 O ATOM 1228 CB SER A 81 -3.034 -15.503 1.885 1.00 0.00 C ATOM 1229 OG SER A 81 -1.928 -15.044 2.643 1.00 0.00 O ATOM 0 H SER A 81 -5.405 -15.747 1.186 1.00 0.00 H new ATOM 0 HA SER A 81 -3.840 -13.522 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.657 -16.152 2.501 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.680 -16.103 1.046 1.00 0.00 H new ATOM 0 HG SER A 81 -1.412 -15.812 2.966 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.166 -12.504 -0.065 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.626 -11.888 -1.271 1.00 0.00 C ATOM 1237 C TYR A 82 -1.523 -10.893 -0.927 1.00 0.00 C ATOM 1238 O TYR A 82 -1.449 -10.393 0.195 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.738 -11.184 -2.051 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.574 -10.251 -1.205 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -4.108 -8.988 -0.862 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.829 -10.633 -0.746 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.868 -8.132 -0.088 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.596 -9.783 0.026 1.00 0.00 C ATOM 1245 CZ TYR A 82 -6.112 -8.534 0.353 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.872 -7.685 1.124 1.00 0.00 O ATOM 0 H TYR A 82 -3.435 -11.842 0.663 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.199 -12.676 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.294 -10.618 -2.870 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.388 -11.936 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.135 -8.670 -1.206 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.211 -11.611 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.490 -7.154 0.170 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.570 -10.095 0.372 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.777 -8.050 1.218 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.666 -10.609 -1.903 1.00 0.00 N ATOM 1257 CA ASP A 83 0.434 -9.672 -1.706 1.00 0.00 C ATOM 1258 C ASP A 83 -0.070 -8.232 -1.722 1.00 0.00 C ATOM 1259 O ASP A 83 -1.086 -7.927 -2.347 1.00 0.00 O ATOM 1260 CB ASP A 83 1.497 -9.866 -2.788 1.00 0.00 C ATOM 1261 CG ASP A 83 0.920 -9.787 -4.188 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -0.139 -9.147 -4.357 1.00 0.00 O ATOM 1263 OD2 ASP A 83 1.526 -10.366 -5.114 1.00 0.00 O ATOM 0 H ASP A 83 -0.712 -11.014 -2.838 1.00 0.00 H new ATOM 0 HA ASP A 83 0.879 -9.871 -0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.270 -9.106 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.978 -10.834 -2.651 1.00 0.00 H new ATOM 1268 N ILE A 84 0.647 -7.353 -1.031 1.00 0.00 N ATOM 1269 CA ILE A 84 0.273 -5.945 -0.966 1.00 0.00 C ATOM 1270 C ILE A 84 1.507 -5.049 -0.932 1.00 0.00 C ATOM 1271 O ILE A 84 2.437 -5.284 -0.160 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.597 -5.650 0.270 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.860 -6.514 0.250 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.959 -4.174 0.323 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.528 -6.638 1.602 1.00 0.00 C ATOM 0 H ILE A 84 1.490 -7.590 -0.508 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.304 -5.730 -1.865 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.026 -5.896 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.570 -6.089 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.604 -7.510 -0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.574 -3.982 1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.048 -3.578 0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.515 -3.903 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.416 -7.264 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.834 -7.091 2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.815 -5.649 1.958 1.00 0.00 H new ATOM 1287 N LYS A 85 1.507 -4.020 -1.772 1.00 0.00 N ATOM 1288 CA LYS A 85 2.624 -3.086 -1.837 1.00 0.00 C ATOM 1289 C LYS A 85 2.133 -1.669 -2.119 1.00 0.00 C ATOM 1290 O LYS A 85 0.945 -1.450 -2.351 1.00 0.00 O ATOM 1291 CB LYS A 85 3.615 -3.518 -2.920 1.00 0.00 C ATOM 1292 CG LYS A 85 3.225 -3.067 -4.317 1.00 0.00 C ATOM 1293 CD LYS A 85 4.267 -3.472 -5.346 1.00 0.00 C ATOM 1294 CE LYS A 85 3.666 -3.571 -6.739 1.00 0.00 C ATOM 1295 NZ LYS A 85 3.254 -2.239 -7.262 1.00 0.00 N ATOM 0 H LYS A 85 0.745 -3.812 -2.418 1.00 0.00 H new ATOM 0 HA LYS A 85 3.127 -3.092 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.600 -3.118 -2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.701 -4.605 -2.909 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.261 -3.500 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.102 -1.984 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.078 -2.744 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.701 -4.432 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.393 -4.018 -7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.802 -4.235 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.256 -2.274 -7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.372 -1.522 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.845 -1.989 -8.080 1.00 0.00 H new ATOM 1309 N MET A 86 3.056 -0.713 -2.098 1.00 0.00 N ATOM 1310 CA MET A 86 2.715 0.682 -2.354 1.00 0.00 C ATOM 1311 C MET A 86 3.937 1.461 -2.831 1.00 0.00 C ATOM 1312 O MET A 86 5.040 0.919 -2.900 1.00 0.00 O ATOM 1313 CB MET A 86 2.144 1.330 -1.091 1.00 0.00 C ATOM 1314 CG MET A 86 3.144 1.423 0.050 1.00 0.00 C ATOM 1315 SD MET A 86 2.627 2.578 1.335 1.00 0.00 S ATOM 1316 CE MET A 86 2.310 4.047 0.361 1.00 0.00 C ATOM 0 H MET A 86 4.044 -0.878 -1.907 1.00 0.00 H new ATOM 0 HA MET A 86 1.960 0.707 -3.140 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.789 2.331 -1.335 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.278 0.757 -0.759 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.281 0.435 0.489 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.111 1.734 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.572 4.932 0.941 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.911 4.018 -0.548 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.254 4.087 0.096 1.00 0.00 H new ATOM 1326 N GLN A 87 3.732 2.733 -3.158 1.00 0.00 N ATOM 1327 CA GLN A 87 4.818 3.584 -3.629 1.00 0.00 C ATOM 1328 C GLN A 87 4.387 5.047 -3.662 1.00 0.00 C ATOM 1329 O GLN A 87 3.242 5.360 -3.990 1.00 0.00 O ATOM 1330 CB GLN A 87 5.273 3.143 -5.021 1.00 0.00 C ATOM 1331 CG GLN A 87 6.255 4.103 -5.673 1.00 0.00 C ATOM 1332 CD GLN A 87 6.164 4.093 -7.186 1.00 0.00 C ATOM 1333 OE1 GLN A 87 7.004 3.503 -7.866 1.00 0.00 O ATOM 1334 NE2 GLN A 87 5.141 4.748 -7.722 1.00 0.00 N ATOM 0 H GLN A 87 2.825 3.196 -3.105 1.00 0.00 H new ATOM 0 HA GLN A 87 5.652 3.485 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.735 2.158 -4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 87 4.399 3.039 -5.664 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.067 5.113 -5.308 1.00 0.00 H new ATOM 0 HG3 GLN A 87 7.269 3.839 -5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.468 5.223 -7.120 1.00 0.00 H new ATOM 0 HE22 GLN A 87 5.028 4.776 -8.735 1.00 0.00 H new ATOM 1343 N CYS A 88 5.311 5.938 -3.321 1.00 0.00 N ATOM 1344 CA CYS A 88 5.026 7.369 -3.310 1.00 0.00 C ATOM 1345 C CYS A 88 5.472 8.021 -4.615 1.00 0.00 C ATOM 1346 O CYS A 88 6.201 7.420 -5.405 1.00 0.00 O ATOM 1347 CB CYS A 88 5.723 8.040 -2.126 1.00 0.00 C ATOM 1348 SG CYS A 88 7.452 8.472 -2.434 1.00 0.00 S ATOM 0 H CYS A 88 6.264 5.695 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 88 3.949 7.500 -3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.175 8.945 -1.861 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.674 7.374 -1.265 1.00 0.00 H new ATOM 0 HG CYS A 88 8.190 8.031 -1.459 1.00 0.00 H new ATOM 1354 N PHE A 89 5.029 9.255 -4.835 1.00 0.00 N ATOM 1355 CA PHE A 89 5.380 9.988 -6.045 1.00 0.00 C ATOM 1356 C PHE A 89 5.373 11.493 -5.790 1.00 0.00 C ATOM 1357 O PHE A 89 4.874 11.957 -4.766 1.00 0.00 O ATOM 1358 CB PHE A 89 4.407 9.646 -7.175 1.00 0.00 C ATOM 1359 CG PHE A 89 3.029 10.207 -6.970 1.00 0.00 C ATOM 1360 CD1 PHE A 89 2.237 9.767 -5.921 1.00 0.00 C ATOM 1361 CD2 PHE A 89 2.526 11.174 -7.825 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.968 10.282 -5.729 1.00 0.00 C ATOM 1363 CE2 PHE A 89 1.258 11.692 -7.638 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.478 11.245 -6.590 1.00 0.00 C ATOM 0 H PHE A 89 4.427 9.768 -4.191 1.00 0.00 H new ATOM 0 HA PHE A 89 6.387 9.692 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.808 10.024 -8.116 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.339 8.562 -7.270 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.615 9.014 -5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.131 11.527 -8.647 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.361 9.932 -4.907 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.878 12.446 -8.311 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.513 11.647 -6.444 1.00 0.00 H new ATOM 1374 N ASN A 90 5.930 12.249 -6.731 1.00 0.00 N ATOM 1375 CA ASN A 90 5.989 13.701 -6.608 1.00 0.00 C ATOM 1376 C ASN A 90 6.191 14.354 -7.972 1.00 0.00 C ATOM 1377 O ASN A 90 6.600 13.699 -8.930 1.00 0.00 O ATOM 1378 CB ASN A 90 7.121 14.109 -5.663 1.00 0.00 C ATOM 1379 CG ASN A 90 7.352 15.607 -5.651 1.00 0.00 C ATOM 1380 OD1 ASN A 90 6.410 16.391 -5.534 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.611 16.012 -5.772 1.00 0.00 N ATOM 0 H ASN A 90 6.346 11.881 -7.586 1.00 0.00 H new ATOM 0 HA ASN A 90 5.040 14.044 -6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.887 13.772 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.040 13.605 -5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.829 17.009 -5.770 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.360 15.327 -5.867 1.00 0.00 H new ATOM 1388 N GLU A 91 5.901 15.649 -8.051 1.00 0.00 N ATOM 1389 CA GLU A 91 6.050 16.390 -9.298 1.00 0.00 C ATOM 1390 C GLU A 91 7.242 15.873 -10.099 1.00 0.00 C ATOM 1391 O GLU A 91 7.208 15.835 -11.328 1.00 0.00 O ATOM 1392 CB GLU A 91 6.223 17.883 -9.012 1.00 0.00 C ATOM 1393 CG GLU A 91 6.502 18.713 -10.255 1.00 0.00 C ATOM 1394 CD GLU A 91 5.275 18.881 -11.130 1.00 0.00 C ATOM 1395 OE1 GLU A 91 4.723 17.857 -11.583 1.00 0.00 O ATOM 1396 OE2 GLU A 91 4.867 20.039 -11.362 1.00 0.00 O ATOM 0 H GLU A 91 5.562 16.206 -7.267 1.00 0.00 H new ATOM 0 HA GLU A 91 5.146 16.243 -9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.321 18.259 -8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.042 18.016 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.869 19.695 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.295 18.239 -10.834 1.00 0.00 H new ATOM 1403 N GLY A 92 8.296 15.476 -9.391 1.00 0.00 N ATOM 1404 CA GLY A 92 9.484 14.967 -10.052 1.00 0.00 C ATOM 1405 C GLY A 92 9.251 13.620 -10.706 1.00 0.00 C ATOM 1406 O GLY A 92 9.305 13.498 -11.929 1.00 0.00 O ATOM 0 H GLY A 92 8.348 15.498 -8.373 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.811 15.682 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.291 14.880 -9.325 1.00 0.00 H new ATOM 1410 N GLY A 93 8.993 12.603 -9.889 1.00 0.00 N ATOM 1411 CA GLY A 93 8.757 11.271 -10.413 1.00 0.00 C ATOM 1412 C GLY A 93 8.377 10.280 -9.330 1.00 0.00 C ATOM 1413 O GLY A 93 8.493 10.576 -8.142 1.00 0.00 O ATOM 0 H GLY A 93 8.943 12.678 -8.873 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.962 11.313 -11.158 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.654 10.920 -10.923 1.00 0.00 H new ATOM 1417 N GLU A 94 7.921 9.101 -9.742 1.00 0.00 N ATOM 1418 CA GLU A 94 7.520 8.065 -8.798 1.00 0.00 C ATOM 1419 C GLU A 94 8.738 7.465 -8.100 1.00 0.00 C ATOM 1420 O GLU A 94 9.811 7.350 -8.691 1.00 0.00 O ATOM 1421 CB GLU A 94 6.736 6.965 -9.516 1.00 0.00 C ATOM 1422 CG GLU A 94 5.269 7.300 -9.723 1.00 0.00 C ATOM 1423 CD GLU A 94 4.677 6.603 -10.933 1.00 0.00 C ATOM 1424 OE1 GLU A 94 5.162 6.851 -12.057 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.729 5.810 -10.755 1.00 0.00 O ATOM 0 H GLU A 94 7.820 8.840 -10.723 1.00 0.00 H new ATOM 0 HA GLU A 94 6.880 8.524 -8.044 1.00 0.00 H new ATOM 0 HB2 GLU A 94 7.197 6.775 -10.485 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.812 6.042 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.706 7.017 -8.834 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.159 8.378 -9.839 1.00 0.00 H new ATOM 1432 N SER A 95 8.562 7.084 -6.839 1.00 0.00 N ATOM 1433 CA SER A 95 9.646 6.500 -6.058 1.00 0.00 C ATOM 1434 C SER A 95 9.804 5.016 -6.374 1.00 0.00 C ATOM 1435 O SER A 95 9.119 4.480 -7.244 1.00 0.00 O ATOM 1436 CB SER A 95 9.386 6.690 -4.563 1.00 0.00 C ATOM 1437 OG SER A 95 8.292 5.900 -4.131 1.00 0.00 O ATOM 0 H SER A 95 7.679 7.169 -6.336 1.00 0.00 H new ATOM 0 HA SER A 95 10.570 7.011 -6.326 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.279 6.420 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.184 7.741 -4.357 1.00 0.00 H new ATOM 0 HG SER A 95 7.772 6.397 -3.466 1.00 0.00 H new ATOM 1443 N GLU A 96 10.712 4.358 -5.659 1.00 0.00 N ATOM 1444 CA GLU A 96 10.961 2.936 -5.864 1.00 0.00 C ATOM 1445 C GLU A 96 9.789 2.101 -5.357 1.00 0.00 C ATOM 1446 O GLU A 96 8.925 2.597 -4.633 1.00 0.00 O ATOM 1447 CB GLU A 96 12.248 2.514 -5.152 1.00 0.00 C ATOM 1448 CG GLU A 96 13.508 3.066 -5.796 1.00 0.00 C ATOM 1449 CD GLU A 96 14.750 2.286 -5.410 1.00 0.00 C ATOM 1450 OE1 GLU A 96 15.036 1.263 -6.068 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.435 2.697 -4.451 1.00 0.00 O ATOM 0 H GLU A 96 11.287 4.787 -4.934 1.00 0.00 H new ATOM 0 HA GLU A 96 11.073 2.762 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.205 2.846 -4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.305 1.426 -5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.395 3.049 -6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.633 4.109 -5.505 1.00 0.00 H new ATOM 1458 N PHE A 97 9.765 0.829 -5.743 1.00 0.00 N ATOM 1459 CA PHE A 97 8.699 -0.076 -5.330 1.00 0.00 C ATOM 1460 C PHE A 97 8.942 -0.593 -3.915 1.00 0.00 C ATOM 1461 O PHE A 97 9.954 -1.239 -3.644 1.00 0.00 O ATOM 1462 CB PHE A 97 8.594 -1.251 -6.304 1.00 0.00 C ATOM 1463 CG PHE A 97 7.924 -0.898 -7.601 1.00 0.00 C ATOM 1464 CD1 PHE A 97 8.379 0.166 -8.363 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.838 -1.628 -8.057 1.00 0.00 C ATOM 1466 CE1 PHE A 97 7.765 0.493 -9.558 1.00 0.00 C ATOM 1467 CE2 PHE A 97 6.220 -1.305 -9.250 1.00 0.00 C ATOM 1468 CZ PHE A 97 6.683 -0.242 -10.001 1.00 0.00 C ATOM 0 H PHE A 97 10.472 0.402 -6.341 1.00 0.00 H new ATOM 0 HA PHE A 97 7.761 0.479 -5.338 1.00 0.00 H new ATOM 0 HB2 PHE A 97 9.595 -1.630 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 97 8.040 -2.060 -5.827 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.223 0.746 -8.020 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.470 -2.459 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 97 8.131 1.323 -10.144 1.00 0.00 H new ATOM 0 HE2 PHE A 97 5.376 -1.883 -9.595 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.200 0.014 -10.932 1.00 0.00 H new ATOM 1478 N SER A 98 8.007 -0.302 -3.017 1.00 0.00 N ATOM 1479 CA SER A 98 8.121 -0.733 -1.628 1.00 0.00 C ATOM 1480 C SER A 98 8.211 -2.253 -1.537 1.00 0.00 C ATOM 1481 O SER A 98 8.127 -2.952 -2.546 1.00 0.00 O ATOM 1482 CB SER A 98 6.924 -0.232 -0.817 1.00 0.00 C ATOM 1483 OG SER A 98 5.774 -1.023 -1.063 1.00 0.00 O ATOM 0 H SER A 98 7.162 0.230 -3.226 1.00 0.00 H new ATOM 0 HA SER A 98 9.035 -0.307 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.165 -0.256 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.716 0.807 -1.073 1.00 0.00 H new ATOM 0 HG SER A 98 5.134 -0.907 -0.330 1.00 0.00 H new ATOM 1489 N ASN A 99 8.384 -2.757 -0.319 1.00 0.00 N ATOM 1490 CA ASN A 99 8.487 -4.194 -0.095 1.00 0.00 C ATOM 1491 C ASN A 99 7.118 -4.860 -0.197 1.00 0.00 C ATOM 1492 O ASN A 99 6.085 -4.204 -0.063 1.00 0.00 O ATOM 1493 CB ASN A 99 9.101 -4.474 1.278 1.00 0.00 C ATOM 1494 CG ASN A 99 8.055 -4.564 2.372 1.00 0.00 C ATOM 1495 OD1 ASN A 99 7.949 -5.577 3.064 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.276 -3.501 2.535 1.00 0.00 N ATOM 0 H ASN A 99 8.456 -2.192 0.527 1.00 0.00 H new ATOM 0 HA ASN A 99 9.133 -4.612 -0.867 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.662 -5.407 1.238 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.812 -3.685 1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 99 6.555 -3.503 3.256 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.399 -2.683 1.939 1.00 0.00 H new ATOM 1503 N VAL A 100 7.118 -6.168 -0.434 1.00 0.00 N ATOM 1504 CA VAL A 100 5.877 -6.924 -0.553 1.00 0.00 C ATOM 1505 C VAL A 100 5.409 -7.428 0.808 1.00 0.00 C ATOM 1506 O VAL A 100 6.100 -8.206 1.464 1.00 0.00 O ATOM 1507 CB VAL A 100 6.039 -8.124 -1.504 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.714 -8.850 -1.679 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.588 -7.668 -2.848 1.00 0.00 C ATOM 0 H VAL A 100 7.964 -6.726 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 100 5.130 -6.244 -0.963 1.00 0.00 H new ATOM 0 HB VAL A 100 6.752 -8.821 -1.063 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.848 -9.695 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.366 -9.211 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.976 -8.165 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.696 -8.529 -3.508 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.901 -6.951 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.560 -7.197 -2.703 1.00 0.00 H new ATOM 1519 N MET A 101 4.230 -6.979 1.225 1.00 0.00 N ATOM 1520 CA MET A 101 3.668 -7.386 2.508 1.00 0.00 C ATOM 1521 C MET A 101 2.457 -8.292 2.308 1.00 0.00 C ATOM 1522 O MET A 101 1.477 -7.902 1.671 1.00 0.00 O ATOM 1523 CB MET A 101 3.270 -6.157 3.328 1.00 0.00 C ATOM 1524 CG MET A 101 4.441 -5.251 3.671 1.00 0.00 C ATOM 1525 SD MET A 101 5.697 -6.083 4.663 1.00 0.00 S ATOM 1526 CE MET A 101 5.247 -5.534 6.307 1.00 0.00 C ATOM 0 H MET A 101 3.645 -6.334 0.694 1.00 0.00 H new ATOM 0 HA MET A 101 4.432 -7.944 3.050 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.528 -5.584 2.772 1.00 0.00 H new ATOM 0 HB3 MET A 101 2.792 -6.485 4.251 1.00 0.00 H new ATOM 0 HG2 MET A 101 4.895 -4.886 2.750 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.074 -4.379 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.923 -4.740 6.623 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.224 -5.157 6.298 1.00 0.00 H new ATOM 0 HE3 MET A 101 5.319 -6.370 7.002 1.00 0.00 H new ATOM 1536 N ILE A 102 2.530 -9.501 2.855 1.00 0.00 N ATOM 1537 CA ILE A 102 1.439 -10.460 2.737 1.00 0.00 C ATOM 1538 C ILE A 102 0.503 -10.378 3.937 1.00 0.00 C ATOM 1539 O ILE A 102 0.775 -10.958 4.990 1.00 0.00 O ATOM 1540 CB ILE A 102 1.968 -11.901 2.609 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.763 -12.063 1.311 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.817 -12.894 2.659 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.557 -13.349 1.245 1.00 0.00 C ATOM 0 H ILE A 102 3.334 -9.839 3.384 1.00 0.00 H new ATOM 0 HA ILE A 102 0.888 -10.202 1.832 1.00 0.00 H new ATOM 0 HB ILE A 102 2.634 -12.104 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.075 -12.026 0.466 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.444 -11.219 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.207 -13.908 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.290 -12.792 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.128 -12.694 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.095 -13.396 0.298 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.270 -13.379 2.069 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.879 -14.199 1.320 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.600 -9.658 3.772 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.579 -9.501 4.842 1.00 0.00 C ATOM 1557 C CYS A 103 -2.848 -10.291 4.539 1.00 0.00 C ATOM 1558 O CYS A 103 -3.646 -9.897 3.689 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.918 -8.023 5.039 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.930 -7.686 6.499 1.00 0.00 S ATOM 0 H CYS A 103 -0.840 -9.173 2.907 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.141 -9.891 5.761 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.990 -7.455 5.114 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.443 -7.661 4.155 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.815 -6.433 6.827 1.00 0.00 H new ATOM 1566 N GLU A 104 -3.025 -11.407 5.238 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.197 -12.253 5.040 1.00 0.00 C ATOM 1568 C GLU A 104 -5.436 -11.621 5.667 1.00 0.00 C ATOM 1569 O GLU A 104 -5.443 -11.278 6.850 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.959 -13.640 5.642 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.781 -14.737 4.986 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.029 -15.913 5.911 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -4.080 -16.326 6.611 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -6.170 -16.419 5.935 1.00 0.00 O ATOM 0 H GLU A 104 -2.373 -11.747 5.945 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.364 -12.353 3.968 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.901 -13.888 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.192 -13.610 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.737 -14.325 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.266 -15.086 4.091 1.00 0.00 H new ATOM 1581 N THR A 105 -6.485 -11.469 4.864 1.00 0.00 N ATOM 1582 CA THR A 105 -7.730 -10.877 5.338 1.00 0.00 C ATOM 1583 C THR A 105 -8.388 -11.754 6.397 1.00 0.00 C ATOM 1584 O THR A 105 -7.850 -12.793 6.780 1.00 0.00 O ATOM 1585 CB THR A 105 -8.723 -10.657 4.181 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.816 -11.842 3.383 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.290 -9.486 3.312 1.00 0.00 C ATOM 0 H THR A 105 -6.497 -11.748 3.883 1.00 0.00 H new ATOM 0 HA THR A 105 -7.474 -9.912 5.777 1.00 0.00 H new ATOM 0 HB THR A 105 -9.700 -10.430 4.608 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.352 -11.657 2.584 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.006 -9.350 2.502 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.249 -8.580 3.916 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.304 -9.688 2.894 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.556 -11.331 6.867 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.290 -12.078 7.881 1.00 0.00 C ATOM 1597 C LYS A 106 -11.250 -13.073 7.236 1.00 0.00 C ATOM 1598 O LYS A 106 -11.708 -12.868 6.112 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.066 -11.120 8.789 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.180 -10.132 9.528 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.751 -10.672 10.882 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.386 -10.139 11.288 1.00 0.00 C ATOM 1603 NZ LYS A 106 -7.282 -11.006 10.793 1.00 0.00 N ATOM 0 H LYS A 106 -10.015 -10.473 6.561 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.568 -12.633 8.481 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.789 -10.568 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.633 -11.701 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.298 -9.913 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.715 -9.192 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.489 -10.396 11.635 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.722 -11.761 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.259 -9.130 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.332 -10.068 12.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.367 -10.582 11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.359 -11.948 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.347 -11.095 9.759 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.551 -14.149 7.955 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.459 -15.173 7.454 1.00 0.00 C ATOM 1619 C ALA A 107 -13.906 -14.693 7.495 1.00 0.00 C ATOM 1620 O ALA A 107 -14.376 -14.197 8.520 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.304 -16.456 8.258 1.00 0.00 C ATOM 0 H ALA A 107 -11.179 -14.334 8.887 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.200 -15.375 6.415 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.988 -17.212 7.873 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.279 -16.817 8.173 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.533 -16.259 9.305 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.606 -14.842 6.376 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.999 -14.421 6.285 1.00 0.00 C ATOM 1629 C ARG A 108 -16.920 -15.443 6.944 1.00 0.00 C ATOM 1630 O ARG A 108 -16.622 -16.637 6.970 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.400 -14.226 4.821 1.00 0.00 C ATOM 1632 CG ARG A 108 -16.220 -15.471 3.969 1.00 0.00 C ATOM 1633 CD ARG A 108 -17.184 -15.486 2.793 1.00 0.00 C ATOM 1634 NE ARG A 108 -17.436 -16.841 2.310 1.00 0.00 N ATOM 1635 CZ ARG A 108 -18.145 -17.112 1.219 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -18.667 -16.127 0.502 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -18.331 -18.371 0.843 1.00 0.00 N ATOM 0 H ARG A 108 -14.232 -15.251 5.520 1.00 0.00 H new ATOM 0 HA ARG A 108 -16.101 -13.473 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.444 -13.914 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.807 -13.416 4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -15.195 -15.516 3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -16.378 -16.358 4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -18.126 -15.026 3.091 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.777 -14.882 1.982 1.00 0.00 H new ATOM 0 HE ARG A 108 -17.047 -17.622 2.839 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.525 -15.158 0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -19.211 -16.338 -0.335 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -17.930 -19.132 1.391 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -18.875 -18.578 0.006 1.00 0.00 H new ATOM 1651 N SER A 109 -18.041 -14.965 7.476 1.00 0.00 N ATOM 1652 CA SER A 109 -19.004 -15.837 8.140 1.00 0.00 C ATOM 1653 C SER A 109 -19.994 -16.416 7.134 1.00 0.00 C ATOM 1654 O SER A 109 -21.010 -15.798 6.820 1.00 0.00 O ATOM 1655 CB SER A 109 -19.755 -15.067 9.228 1.00 0.00 C ATOM 1656 OG SER A 109 -19.077 -15.147 10.469 1.00 0.00 O ATOM 0 H SER A 109 -18.305 -13.980 7.460 1.00 0.00 H new ATOM 0 HA SER A 109 -18.457 -16.660 8.600 1.00 0.00 H new ATOM 0 HB2 SER A 109 -19.859 -14.023 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 109 -20.762 -15.470 9.334 1.00 0.00 H new ATOM 0 HG SER A 109 -19.576 -14.646 11.147 1.00 0.00 H new ATOM 1662 N GLY A 110 -19.690 -17.609 6.633 1.00 0.00 N ATOM 1663 CA GLY A 110 -20.562 -18.253 5.669 1.00 0.00 C ATOM 1664 C GLY A 110 -20.978 -19.646 6.101 1.00 0.00 C ATOM 1665 O GLY A 110 -20.544 -20.153 7.136 1.00 0.00 O ATOM 0 H GLY A 110 -18.855 -18.141 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.452 -17.641 5.523 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.054 -18.311 4.706 1.00 0.00 H new ATOM 1669 N PRO A 111 -21.840 -20.286 5.298 1.00 0.00 N ATOM 1670 CA PRO A 111 -22.334 -21.637 5.584 1.00 0.00 C ATOM 1671 C PRO A 111 -21.249 -22.696 5.428 1.00 0.00 C ATOM 1672 O PRO A 111 -20.304 -22.521 4.659 1.00 0.00 O ATOM 1673 CB PRO A 111 -23.435 -21.840 4.540 1.00 0.00 C ATOM 1674 CG PRO A 111 -23.064 -20.934 3.417 1.00 0.00 C ATOM 1675 CD PRO A 111 -22.399 -19.743 4.049 1.00 0.00 C ATOM 0 HA PRO A 111 -22.680 -21.735 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -23.483 -22.878 4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -24.415 -21.588 4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -22.391 -21.432 2.719 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -23.945 -20.634 2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -21.621 -19.330 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.111 -18.941 4.243 1.00 0.00 H new ATOM 1683 N SER A 112 -21.391 -23.796 6.161 1.00 0.00 N ATOM 1684 CA SER A 112 -20.421 -24.882 6.106 1.00 0.00 C ATOM 1685 C SER A 112 -21.109 -26.211 5.809 1.00 0.00 C ATOM 1686 O SER A 112 -21.947 -26.675 6.583 1.00 0.00 O ATOM 1687 CB SER A 112 -19.653 -24.976 7.426 1.00 0.00 C ATOM 1688 OG SER A 112 -20.523 -25.279 8.502 1.00 0.00 O ATOM 0 H SER A 112 -22.169 -23.958 6.800 1.00 0.00 H new ATOM 0 HA SER A 112 -19.719 -24.668 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 112 -18.884 -25.744 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 112 -19.143 -24.033 7.621 1.00 0.00 H new ATOM 0 HG SER A 112 -21.302 -25.768 8.165 1.00 0.00 H new ATOM 1694 N SER A 113 -20.749 -26.819 4.683 1.00 0.00 N ATOM 1695 CA SER A 113 -21.334 -28.092 4.281 1.00 0.00 C ATOM 1696 C SER A 113 -20.349 -29.237 4.502 1.00 0.00 C ATOM 1697 O SER A 113 -19.171 -29.130 4.164 1.00 0.00 O ATOM 1698 CB SER A 113 -21.755 -28.043 2.811 1.00 0.00 C ATOM 1699 OG SER A 113 -22.439 -29.226 2.436 1.00 0.00 O ATOM 0 H SER A 113 -20.055 -26.450 4.033 1.00 0.00 H new ATOM 0 HA SER A 113 -22.215 -28.269 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 113 -22.398 -27.179 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.875 -27.913 2.182 1.00 0.00 H new ATOM 0 HG SER A 113 -22.699 -29.169 1.493 1.00 0.00 H new ATOM 1705 N GLY A 114 -20.842 -30.332 5.072 1.00 0.00 N ATOM 1706 CA GLY A 114 -19.994 -31.481 5.328 1.00 0.00 C ATOM 1707 C GLY A 114 -19.913 -31.825 6.803 1.00 0.00 C ATOM 1708 O GLY A 114 -18.854 -32.205 7.301 1.00 0.00 O ATOM 0 H GLY A 114 -21.814 -30.444 5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -20.377 -32.341 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -18.992 -31.281 4.949 1.00 0.00 H new TER 1712 GLY A 114