USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 815 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 25 GLN : amide:sc= -0.669 K(o=-0.84,f=-1.5) USER MOD Set 1.2: A 87 THR OG1 : rot 180:sc= -0.167 USER MOD Set 2.1: A 57 LYS NZ :NH3+ -142:sc= -0.95 (180deg=-0.226) USER MOD Set 2.2: A 59 HIS : no HE2:sc= -1.31 K(o=-2.3,f=0.85) USER MOD Set 3.1: A 14 SER OG : rot -30:sc= 0.483 USER MOD Set 3.2: A 17 SER OG : rot -39:sc= 0.584! USER MOD Single : A 1 ARG N :NH3+ 163:sc= -0.117 (180deg=-0.691) USER MOD Single : A 4 SER OG : rot 180:sc= -0.483 USER MOD Single : A 7 SER OG : rot -148:sc= -0.179 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc=-0.00103 K(o=-0.001,f=-1.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.294) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.624 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -51:sc= 0.143! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -152:sc= -1.06 (180deg=-2.18) USER MOD Single : A 54 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.15) USER MOD Single : A 56 ASN : amide:sc= -0.752 K(o=-0.75,f=-1.5) USER MOD Single : A 64 HIS : no HD1:sc= -0.0803 X(o=-0.08,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -134:sc= -0.573 (180deg=-5.79!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -4.74! C(o=-4.7!,f=-8.2!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 149:sc= -2.11! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0112 USER MOD Single : A 93 MET CE :methyl -133:sc= -0.732 (180deg=-3.94!) USER MOD Single : A 96 LYS NZ :NH3+ 150:sc= -0.0822 (180deg=-0.667) USER MOD Single : A 98 ASN : amide:sc= -1.79! K(o=-1.8!,f=-0.049) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 3.367 20.690 -7.655 1.00 0.00 N ATOM 2 CA ARG A 1 2.810 19.727 -6.662 1.00 0.00 C ATOM 3 C ARG A 1 3.950 19.135 -5.823 1.00 0.00 C ATOM 4 O ARG A 1 4.016 17.921 -5.635 1.00 0.00 O ATOM 5 CB ARG A 1 2.050 18.619 -7.396 1.00 0.00 C ATOM 6 CG ARG A 1 2.960 17.945 -8.424 1.00 0.00 C ATOM 7 CD ARG A 1 2.198 16.809 -9.110 1.00 0.00 C ATOM 8 NE ARG A 1 3.080 16.101 -10.028 1.00 0.00 N ATOM 9 CZ ARG A 1 2.610 15.188 -10.873 1.00 0.00 C ATOM 10 NH1 ARG A 1 1.337 14.899 -10.884 1.00 0.00 N ATOM 11 NH2 ARG A 1 3.422 14.575 -11.689 1.00 0.00 N ATOM 0 H1 ARG A 1 2.662 20.870 -8.398 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.603 21.583 -7.178 1.00 0.00 H new ATOM 0 H3 ARG A 1 4.226 20.289 -8.083 1.00 0.00 H new ATOM 0 HA ARG A 1 2.119 20.244 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.688 17.881 -6.680 1.00 0.00 H new ATOM 0 HB3 ARG A 1 1.174 19.037 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.293 18.673 -9.164 1.00 0.00 H new ATOM 0 HG3 ARG A 1 3.853 17.556 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 1 1.808 16.118 -8.362 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.341 17.210 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 1 4.078 16.310 -10.023 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.701 15.374 -10.244 1.00 0.00 H new ATOM 0 HH12 ARG A 1 0.979 14.198 -11.533 1.00 0.00 H new ATOM 0 HH21 ARG A 1 4.418 14.796 -11.679 1.00 0.00 H new ATOM 0 HH22 ARG A 1 3.061 13.875 -12.337 1.00 0.00 H new ATOM 25 N GLU A 2 4.830 20.017 -5.330 1.00 0.00 N ATOM 26 CA GLU A 2 5.992 19.640 -4.497 1.00 0.00 C ATOM 27 C GLU A 2 5.883 18.214 -3.934 1.00 0.00 C ATOM 28 O GLU A 2 5.474 18.021 -2.788 1.00 0.00 O ATOM 29 CB GLU A 2 6.112 20.649 -3.339 1.00 0.00 C ATOM 30 CG GLU A 2 7.568 20.745 -2.866 1.00 0.00 C ATOM 31 CD GLU A 2 8.384 21.571 -3.855 1.00 0.00 C ATOM 32 OE1 GLU A 2 8.172 22.771 -3.909 1.00 0.00 O ATOM 33 OE2 GLU A 2 9.209 20.991 -4.543 1.00 0.00 O ATOM 0 H GLU A 2 4.760 21.021 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 2 6.880 19.660 -5.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.763 21.629 -3.664 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.473 20.341 -2.511 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.608 21.202 -1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.996 19.747 -2.773 1.00 0.00 H new ATOM 40 N PRO A 3 6.239 17.222 -4.713 1.00 0.00 N ATOM 41 CA PRO A 3 6.190 15.799 -4.323 1.00 0.00 C ATOM 42 C PRO A 3 7.584 15.262 -4.009 1.00 0.00 C ATOM 43 O PRO A 3 8.523 16.036 -3.827 1.00 0.00 O ATOM 44 CB PRO A 3 5.651 15.184 -5.601 1.00 0.00 C ATOM 45 CG PRO A 3 6.348 15.950 -6.699 1.00 0.00 C ATOM 46 CD PRO A 3 6.747 17.315 -6.094 1.00 0.00 C ATOM 0 HA PRO A 3 5.603 15.594 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.873 14.118 -5.655 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.568 15.288 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.227 15.410 -7.052 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.690 16.083 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.826 17.468 -6.119 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.295 18.145 -6.636 1.00 0.00 H new ATOM 54 N SER A 4 7.724 13.938 -3.971 1.00 0.00 N ATOM 55 CA SER A 4 9.027 13.341 -3.703 1.00 0.00 C ATOM 56 C SER A 4 8.991 11.816 -3.925 1.00 0.00 C ATOM 57 O SER A 4 7.924 11.207 -3.869 1.00 0.00 O ATOM 58 CB SER A 4 9.443 13.664 -2.260 1.00 0.00 C ATOM 59 OG SER A 4 10.078 12.533 -1.676 1.00 0.00 O ATOM 0 H SER A 4 6.967 13.271 -4.119 1.00 0.00 H new ATOM 0 HA SER A 4 9.758 13.759 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.120 14.518 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.568 13.944 -1.674 1.00 0.00 H new ATOM 0 HG SER A 4 10.343 12.745 -0.756 1.00 0.00 H new ATOM 65 N PRO A 5 10.134 11.199 -4.179 1.00 0.00 N ATOM 66 CA PRO A 5 10.242 9.718 -4.413 1.00 0.00 C ATOM 67 C PRO A 5 9.325 8.894 -3.491 1.00 0.00 C ATOM 68 O PRO A 5 8.729 9.442 -2.565 1.00 0.00 O ATOM 69 CB PRO A 5 11.715 9.428 -4.111 1.00 0.00 C ATOM 70 CG PRO A 5 12.439 10.680 -4.495 1.00 0.00 C ATOM 71 CD PRO A 5 11.457 11.846 -4.280 1.00 0.00 C ATOM 0 HA PRO A 5 9.930 9.442 -5.420 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.864 9.193 -3.057 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.075 8.572 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.334 10.811 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.764 10.635 -5.534 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.696 12.405 -3.375 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.491 12.552 -5.109 1.00 0.00 H new ATOM 79 N PRO A 6 9.205 7.594 -3.707 1.00 0.00 N ATOM 80 CA PRO A 6 8.341 6.731 -2.849 1.00 0.00 C ATOM 81 C PRO A 6 8.632 6.832 -1.359 1.00 0.00 C ATOM 82 O PRO A 6 9.755 7.091 -0.926 1.00 0.00 O ATOM 83 CB PRO A 6 8.573 5.305 -3.378 1.00 0.00 C ATOM 84 CG PRO A 6 8.993 5.504 -4.787 1.00 0.00 C ATOM 85 CD PRO A 6 9.830 6.794 -4.782 1.00 0.00 C ATOM 0 HA PRO A 6 7.301 7.050 -2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.340 4.787 -2.803 1.00 0.00 H new ATOM 0 HB3 PRO A 6 7.666 4.704 -3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.578 4.657 -5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.129 5.598 -5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.881 6.592 -4.575 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.787 7.306 -5.743 1.00 0.00 H new ATOM 93 N SER A 7 7.559 6.667 -0.592 1.00 0.00 N ATOM 94 CA SER A 7 7.598 6.769 0.865 1.00 0.00 C ATOM 95 C SER A 7 6.828 5.612 1.495 1.00 0.00 C ATOM 96 O SER A 7 6.170 5.766 2.524 1.00 0.00 O ATOM 97 CB SER A 7 6.967 8.117 1.252 1.00 0.00 C ATOM 98 OG SER A 7 7.908 8.881 1.997 1.00 0.00 O ATOM 0 H SER A 7 6.633 6.458 -0.964 1.00 0.00 H new ATOM 0 HA SER A 7 8.625 6.716 1.228 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.667 8.661 0.357 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.066 7.953 1.842 1.00 0.00 H new ATOM 0 HG SER A 7 7.434 9.437 2.650 1.00 0.00 H new ATOM 104 N ILE A 8 6.899 4.459 0.853 1.00 0.00 N ATOM 105 CA ILE A 8 6.191 3.278 1.317 1.00 0.00 C ATOM 106 C ILE A 8 7.177 2.277 1.905 1.00 0.00 C ATOM 107 O ILE A 8 8.115 1.844 1.238 1.00 0.00 O ATOM 108 CB ILE A 8 5.457 2.657 0.128 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.588 3.732 -0.576 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.589 1.488 0.611 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.223 3.878 0.090 1.00 0.00 C ATOM 0 H ILE A 8 7.444 4.315 0.003 1.00 0.00 H new ATOM 0 HA ILE A 8 5.476 3.552 2.093 1.00 0.00 H new ATOM 0 HB ILE A 8 6.184 2.278 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.107 4.690 -0.556 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.455 3.463 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.067 1.047 -0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.222 0.734 1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.860 1.851 1.336 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.643 4.640 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.693 2.926 0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.356 4.172 1.131 1.00 0.00 H new ATOM 123 N HIS A 9 6.952 1.921 3.166 1.00 0.00 N ATOM 124 CA HIS A 9 7.815 0.966 3.869 1.00 0.00 C ATOM 125 C HIS A 9 7.002 -0.269 4.260 1.00 0.00 C ATOM 126 O HIS A 9 6.052 -0.175 5.038 1.00 0.00 O ATOM 127 CB HIS A 9 8.415 1.639 5.136 1.00 0.00 C ATOM 128 CG HIS A 9 9.924 1.638 5.074 1.00 0.00 C ATOM 129 ND1 HIS A 9 10.650 2.742 4.655 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.847 0.667 5.359 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.952 2.408 4.694 1.00 0.00 C ATOM 132 NE2 HIS A 9 12.128 1.153 5.116 1.00 0.00 N ATOM 0 H HIS A 9 6.178 2.278 3.727 1.00 0.00 H new ATOM 0 HA HIS A 9 8.630 0.659 3.213 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.050 2.663 5.218 1.00 0.00 H new ATOM 0 HB3 HIS A 9 8.082 1.109 6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 9 10.616 -0.325 5.718 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.757 3.073 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.012 0.657 5.235 1.00 0.00 H new ATOM 140 N GLY A 10 7.374 -1.424 3.717 1.00 0.00 N ATOM 141 CA GLY A 10 6.662 -2.666 4.018 1.00 0.00 C ATOM 142 C GLY A 10 7.373 -3.470 5.099 1.00 0.00 C ATOM 143 O GLY A 10 8.599 -3.451 5.203 1.00 0.00 O ATOM 0 H GLY A 10 8.157 -1.528 3.072 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.647 -2.435 4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.578 -3.267 3.112 1.00 0.00 H new ATOM 147 N GLN A 11 6.580 -4.177 5.901 1.00 0.00 N ATOM 148 CA GLN A 11 7.119 -4.994 6.982 1.00 0.00 C ATOM 149 C GLN A 11 6.087 -6.054 7.400 1.00 0.00 C ATOM 150 O GLN A 11 5.014 -5.696 7.887 1.00 0.00 O ATOM 151 CB GLN A 11 7.432 -4.107 8.184 1.00 0.00 C ATOM 152 CG GLN A 11 8.259 -4.887 9.207 1.00 0.00 C ATOM 153 CD GLN A 11 8.677 -3.959 10.343 1.00 0.00 C ATOM 154 OE1 GLN A 11 8.547 -2.740 10.226 1.00 0.00 O ATOM 155 NE2 GLN A 11 9.177 -4.463 11.437 1.00 0.00 N ATOM 0 H GLN A 11 5.563 -4.200 5.822 1.00 0.00 H new ATOM 0 HA GLN A 11 8.028 -5.486 6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.979 -3.222 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.506 -3.760 8.641 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.677 -5.720 9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.141 -5.312 8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 11 9.283 -5.473 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.462 -3.847 12.199 1.00 0.00 H new ATOM 164 N PRO A 12 6.357 -7.333 7.231 1.00 0.00 N ATOM 165 CA PRO A 12 5.376 -8.390 7.624 1.00 0.00 C ATOM 166 C PRO A 12 4.876 -8.203 9.060 1.00 0.00 C ATOM 167 O PRO A 12 5.520 -8.644 10.013 1.00 0.00 O ATOM 168 CB PRO A 12 6.159 -9.707 7.471 1.00 0.00 C ATOM 169 CG PRO A 12 7.268 -9.404 6.513 1.00 0.00 C ATOM 170 CD PRO A 12 7.583 -7.911 6.658 1.00 0.00 C ATOM 0 HA PRO A 12 4.477 -8.362 7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.551 -10.044 8.431 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.518 -10.503 7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.147 -10.008 6.736 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.971 -9.639 5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.442 -7.747 7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.823 -7.460 5.695 1.00 0.00 H new ATOM 178 N SER A 13 3.735 -7.536 9.202 1.00 0.00 N ATOM 179 CA SER A 13 3.159 -7.287 10.521 1.00 0.00 C ATOM 180 C SER A 13 2.487 -8.535 11.086 1.00 0.00 C ATOM 181 O SER A 13 2.710 -8.903 12.238 1.00 0.00 O ATOM 182 CB SER A 13 2.134 -6.156 10.432 1.00 0.00 C ATOM 183 OG SER A 13 1.534 -5.962 11.705 1.00 0.00 O ATOM 0 H SER A 13 3.192 -7.159 8.425 1.00 0.00 H new ATOM 0 HA SER A 13 3.971 -7.005 11.191 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.618 -5.237 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.372 -6.399 9.692 1.00 0.00 H new ATOM 0 HG SER A 13 0.878 -5.236 11.650 1.00 0.00 H new ATOM 189 N SER A 14 1.651 -9.175 10.273 1.00 0.00 N ATOM 190 CA SER A 14 0.936 -10.375 10.706 1.00 0.00 C ATOM 191 C SER A 14 0.785 -11.366 9.558 1.00 0.00 C ATOM 192 O SER A 14 1.017 -11.025 8.396 1.00 0.00 O ATOM 193 CB SER A 14 -0.449 -9.999 11.225 1.00 0.00 C ATOM 194 OG SER A 14 -1.163 -9.312 10.205 1.00 0.00 O ATOM 0 H SER A 14 1.452 -8.886 9.315 1.00 0.00 H new ATOM 0 HA SER A 14 1.517 -10.842 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.993 -10.895 11.525 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.360 -9.369 12.110 1.00 0.00 H new ATOM 0 HG SER A 14 -0.532 -8.825 9.635 1.00 0.00 H new ATOM 200 N GLY A 15 0.399 -12.595 9.897 1.00 0.00 N ATOM 201 CA GLY A 15 0.213 -13.647 8.898 1.00 0.00 C ATOM 202 C GLY A 15 -0.355 -13.091 7.596 1.00 0.00 C ATOM 203 O GLY A 15 -1.369 -12.395 7.593 1.00 0.00 O ATOM 0 H GLY A 15 0.209 -12.887 10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.168 -14.135 8.700 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.459 -14.409 9.292 1.00 0.00 H new ATOM 207 N LYS A 16 0.307 -13.422 6.492 1.00 0.00 N ATOM 208 CA LYS A 16 -0.112 -12.981 5.173 1.00 0.00 C ATOM 209 C LYS A 16 -0.599 -11.537 5.207 1.00 0.00 C ATOM 210 O LYS A 16 -1.655 -11.208 4.667 1.00 0.00 O ATOM 211 CB LYS A 16 -1.202 -13.921 4.612 1.00 0.00 C ATOM 212 CG LYS A 16 -1.123 -15.311 5.280 1.00 0.00 C ATOM 213 CD LYS A 16 -1.629 -16.401 4.320 1.00 0.00 C ATOM 214 CE LYS A 16 -3.128 -16.209 4.005 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.863 -17.462 4.333 1.00 0.00 N ATOM 0 H LYS A 16 1.146 -14.002 6.490 1.00 0.00 H new ATOM 0 HA LYS A 16 0.751 -13.022 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.187 -13.486 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.081 -14.023 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.094 -15.523 5.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.719 -15.317 6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.053 -16.372 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.470 -17.384 4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.529 -15.376 4.583 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.261 -15.960 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.874 -17.337 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.485 -18.246 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.744 -17.680 5.343 1.00 0.00 H new ATOM 229 N SER A 17 0.198 -10.678 5.832 1.00 0.00 N ATOM 230 CA SER A 17 -0.123 -9.260 5.925 1.00 0.00 C ATOM 231 C SER A 17 1.150 -8.442 5.786 1.00 0.00 C ATOM 232 O SER A 17 2.235 -8.909 6.138 1.00 0.00 O ATOM 233 CB SER A 17 -0.799 -8.948 7.263 1.00 0.00 C ATOM 234 OG SER A 17 0.197 -8.778 8.263 1.00 0.00 O ATOM 0 H SER A 17 1.074 -10.941 6.283 1.00 0.00 H new ATOM 0 HA SER A 17 -0.813 -9.001 5.121 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.402 -8.044 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.475 -9.757 7.540 1.00 0.00 H new ATOM 0 HG SER A 17 0.914 -9.432 8.126 1.00 0.00 H new ATOM 240 N PHE A 18 1.021 -7.226 5.262 1.00 0.00 N ATOM 241 CA PHE A 18 2.182 -6.362 5.068 1.00 0.00 C ATOM 242 C PHE A 18 1.826 -4.917 5.423 1.00 0.00 C ATOM 243 O PHE A 18 0.931 -4.326 4.816 1.00 0.00 O ATOM 244 CB PHE A 18 2.637 -6.465 3.584 1.00 0.00 C ATOM 245 CG PHE A 18 4.103 -6.839 3.486 1.00 0.00 C ATOM 246 CD1 PHE A 18 5.081 -5.840 3.479 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.478 -8.186 3.384 1.00 0.00 C ATOM 248 CE1 PHE A 18 6.433 -6.187 3.374 1.00 0.00 C ATOM 249 CE2 PHE A 18 5.834 -8.528 3.281 1.00 0.00 C ATOM 250 CZ PHE A 18 6.808 -7.521 3.275 1.00 0.00 C ATOM 0 H PHE A 18 0.133 -6.819 4.967 1.00 0.00 H new ATOM 0 HA PHE A 18 2.996 -6.679 5.720 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.033 -7.210 3.066 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.467 -5.513 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.794 -4.802 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.724 -8.959 3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.188 -5.414 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.127 -9.565 3.206 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.853 -7.782 3.193 1.00 0.00 H new ATOM 260 N LYS A 19 2.543 -4.346 6.390 1.00 0.00 N ATOM 261 CA LYS A 19 2.298 -2.964 6.786 1.00 0.00 C ATOM 262 C LYS A 19 3.065 -2.032 5.872 1.00 0.00 C ATOM 263 O LYS A 19 4.247 -1.773 6.086 1.00 0.00 O ATOM 264 CB LYS A 19 2.735 -2.707 8.234 1.00 0.00 C ATOM 265 CG LYS A 19 2.501 -1.228 8.587 1.00 0.00 C ATOM 266 CD LYS A 19 2.891 -0.971 10.038 1.00 0.00 C ATOM 267 CE LYS A 19 2.619 0.495 10.377 1.00 0.00 C ATOM 268 NZ LYS A 19 3.118 0.788 11.751 1.00 0.00 N ATOM 0 H LYS A 19 3.288 -4.813 6.907 1.00 0.00 H new ATOM 0 HA LYS A 19 1.226 -2.780 6.709 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.173 -3.347 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.788 -2.959 8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.088 -0.590 7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.453 -0.970 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.322 -1.622 10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.945 -1.203 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.112 1.144 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.551 0.702 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.933 1.785 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.628 0.177 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.141 0.606 11.795 1.00 0.00 H new ATOM 282 N LEU A 20 2.379 -1.499 4.873 1.00 0.00 N ATOM 283 CA LEU A 20 3.007 -0.563 3.958 1.00 0.00 C ATOM 284 C LEU A 20 2.759 0.828 4.514 1.00 0.00 C ATOM 285 O LEU A 20 1.744 1.454 4.225 1.00 0.00 O ATOM 286 CB LEU A 20 2.411 -0.691 2.547 1.00 0.00 C ATOM 287 CG LEU A 20 2.199 -2.172 2.188 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.246 -2.273 1.003 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.538 -2.803 1.798 1.00 0.00 C ATOM 0 H LEU A 20 1.398 -1.697 4.677 1.00 0.00 H new ATOM 0 HA LEU A 20 4.074 -0.767 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.461 -0.158 2.496 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.077 -0.225 1.820 1.00 0.00 H new ATOM 0 HG LEU A 20 1.782 -2.694 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.094 -3.321 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.289 -1.821 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.672 -1.748 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.386 -3.852 1.544 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.951 -2.277 0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.232 -2.729 2.635 1.00 0.00 H new ATOM 301 N SER A 21 3.677 1.281 5.351 1.00 0.00 N ATOM 302 CA SER A 21 3.543 2.572 5.990 1.00 0.00 C ATOM 303 C SER A 21 3.638 3.702 4.986 1.00 0.00 C ATOM 304 O SER A 21 4.616 3.811 4.247 1.00 0.00 O ATOM 305 CB SER A 21 4.631 2.734 7.051 1.00 0.00 C ATOM 306 OG SER A 21 4.636 4.078 7.514 1.00 0.00 O ATOM 0 H SER A 21 4.523 0.770 5.602 1.00 0.00 H new ATOM 0 HA SER A 21 2.559 2.618 6.456 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.450 2.051 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.604 2.477 6.633 1.00 0.00 H new ATOM 0 HG SER A 21 5.331 4.186 8.196 1.00 0.00 H new ATOM 312 N ILE A 22 2.627 4.565 4.987 1.00 0.00 N ATOM 313 CA ILE A 22 2.628 5.710 4.098 1.00 0.00 C ATOM 314 C ILE A 22 3.402 6.803 4.827 1.00 0.00 C ATOM 315 O ILE A 22 2.978 7.255 5.890 1.00 0.00 O ATOM 316 CB ILE A 22 1.184 6.187 3.802 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.169 5.038 3.946 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.100 6.725 2.371 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.421 3.938 2.910 1.00 0.00 C ATOM 0 H ILE A 22 1.807 4.491 5.589 1.00 0.00 H new ATOM 0 HA ILE A 22 3.081 5.460 3.139 1.00 0.00 H new ATOM 0 HB ILE A 22 0.942 6.967 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.233 4.617 4.949 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.842 5.427 3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.083 7.059 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.787 7.563 2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.370 5.936 1.669 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.312 3.142 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.331 4.355 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.424 3.533 3.046 1.00 0.00 H new ATOM 331 N THR A 23 4.550 7.201 4.290 1.00 0.00 N ATOM 332 CA THR A 23 5.369 8.216 4.959 1.00 0.00 C ATOM 333 C THR A 23 5.135 9.581 4.342 1.00 0.00 C ATOM 334 O THR A 23 5.421 9.797 3.167 1.00 0.00 O ATOM 335 CB THR A 23 6.854 7.839 4.866 1.00 0.00 C ATOM 336 OG1 THR A 23 7.087 6.653 5.612 1.00 0.00 O ATOM 337 CG2 THR A 23 7.715 8.974 5.427 1.00 0.00 C ATOM 0 H THR A 23 4.932 6.848 3.413 1.00 0.00 H new ATOM 0 HA THR A 23 5.080 8.259 6.009 1.00 0.00 H new ATOM 0 HB THR A 23 7.118 7.672 3.822 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.034 6.410 5.552 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.768 8.700 5.358 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.538 9.883 4.852 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.453 9.148 6.471 1.00 0.00 H new ATOM 345 N LYS A 24 4.616 10.502 5.152 1.00 0.00 N ATOM 346 CA LYS A 24 4.343 11.851 4.682 1.00 0.00 C ATOM 347 C LYS A 24 5.461 12.333 3.759 1.00 0.00 C ATOM 348 O LYS A 24 6.593 12.580 4.170 1.00 0.00 O ATOM 349 CB LYS A 24 4.093 12.799 5.879 1.00 0.00 C ATOM 350 CG LYS A 24 5.387 13.359 6.493 1.00 0.00 C ATOM 351 CD LYS A 24 6.319 12.232 6.981 1.00 0.00 C ATOM 352 CE LYS A 24 5.704 11.523 8.194 1.00 0.00 C ATOM 353 NZ LYS A 24 6.755 10.717 8.879 1.00 0.00 N ATOM 0 H LYS A 24 4.379 10.337 6.130 1.00 0.00 H new ATOM 0 HA LYS A 24 3.429 11.850 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.466 13.628 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.537 12.263 6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.907 13.967 5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.140 14.015 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.486 11.515 6.177 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.292 12.645 7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.284 12.255 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.885 10.878 7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.514 10.617 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.811 9.775 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.674 11.196 8.789 1.00 0.00 H new ATOM 367 N GLN A 25 5.129 12.408 2.475 1.00 0.00 N ATOM 368 CA GLN A 25 6.092 12.814 1.448 1.00 0.00 C ATOM 369 C GLN A 25 5.655 14.124 0.808 1.00 0.00 C ATOM 370 O GLN A 25 4.774 14.128 -0.052 1.00 0.00 O ATOM 371 CB GLN A 25 6.178 11.711 0.373 1.00 0.00 C ATOM 372 CG GLN A 25 4.802 11.052 0.211 1.00 0.00 C ATOM 373 CD GLN A 25 4.804 10.099 -0.979 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.644 8.892 -0.802 1.00 0.00 O ATOM 375 NE2 GLN A 25 4.985 10.564 -2.185 1.00 0.00 N ATOM 0 H GLN A 25 4.199 12.193 2.116 1.00 0.00 H new ATOM 0 HA GLN A 25 7.070 12.959 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.504 12.137 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.920 10.965 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.543 10.508 1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.040 11.818 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.118 11.565 -2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.994 9.927 -2.981 1.00 0.00 H new ATOM 384 N ASP A 26 6.293 15.225 1.230 1.00 0.00 N ATOM 385 CA ASP A 26 6.000 16.570 0.703 1.00 0.00 C ATOM 386 C ASP A 26 4.634 16.626 0.019 1.00 0.00 C ATOM 387 O ASP A 26 4.545 16.503 -1.204 1.00 0.00 O ATOM 388 CB ASP A 26 7.084 16.974 -0.298 1.00 0.00 C ATOM 389 CG ASP A 26 8.459 16.848 0.347 1.00 0.00 C ATOM 390 OD1 ASP A 26 8.951 15.735 0.436 1.00 0.00 O ATOM 391 OD2 ASP A 26 8.999 17.866 0.748 1.00 0.00 O ATOM 0 H ASP A 26 7.023 15.211 1.942 1.00 0.00 H new ATOM 0 HA ASP A 26 5.984 17.262 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.028 16.340 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.921 17.999 -0.630 1.00 0.00 H new ATOM 396 N ASP A 27 3.575 16.783 0.802 1.00 0.00 N ATOM 397 CA ASP A 27 2.236 16.815 0.232 1.00 0.00 C ATOM 398 C ASP A 27 2.182 17.812 -0.919 1.00 0.00 C ATOM 399 O ASP A 27 2.653 18.943 -0.796 1.00 0.00 O ATOM 400 CB ASP A 27 1.211 17.183 1.315 1.00 0.00 C ATOM 401 CG ASP A 27 1.181 16.090 2.377 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.651 15.002 2.087 1.00 0.00 O ATOM 403 OD2 ASP A 27 0.684 16.352 3.461 1.00 0.00 O ATOM 0 H ASP A 27 3.615 16.888 1.816 1.00 0.00 H new ATOM 0 HA ASP A 27 1.990 15.826 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.472 18.139 1.769 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.223 17.301 0.871 1.00 0.00 H new ATOM 408 N GLY A 28 1.620 17.359 -2.043 1.00 0.00 N ATOM 409 CA GLY A 28 1.505 18.174 -3.254 1.00 0.00 C ATOM 410 C GLY A 28 1.452 19.673 -2.961 1.00 0.00 C ATOM 411 O GLY A 28 1.998 20.474 -3.715 1.00 0.00 O ATOM 0 H GLY A 28 1.233 16.420 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.353 17.967 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.606 17.883 -3.797 1.00 0.00 H new ATOM 415 N GLY A 29 0.807 20.054 -1.866 1.00 0.00 N ATOM 416 CA GLY A 29 0.726 21.474 -1.520 1.00 0.00 C ATOM 417 C GLY A 29 -0.356 21.768 -0.478 1.00 0.00 C ATOM 418 O GLY A 29 -0.542 22.922 -0.091 1.00 0.00 O ATOM 0 H GLY A 29 0.342 19.421 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.692 21.806 -1.139 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.523 22.052 -2.421 1.00 0.00 H new ATOM 422 N ALA A 30 -1.073 20.743 -0.019 1.00 0.00 N ATOM 423 CA ALA A 30 -2.116 20.962 0.977 1.00 0.00 C ATOM 424 C ALA A 30 -2.384 19.682 1.769 1.00 0.00 C ATOM 425 O ALA A 30 -2.132 18.584 1.272 1.00 0.00 O ATOM 426 CB ALA A 30 -3.405 21.427 0.292 1.00 0.00 C ATOM 0 H ALA A 30 -0.954 19.774 -0.314 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.776 21.734 1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.178 21.588 1.043 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.218 22.359 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.737 20.665 -0.413 1.00 0.00 H new ATOM 432 N PRO A 31 -2.898 19.779 2.977 1.00 0.00 N ATOM 433 CA PRO A 31 -3.191 18.566 3.787 1.00 0.00 C ATOM 434 C PRO A 31 -4.079 17.579 3.029 1.00 0.00 C ATOM 435 O PRO A 31 -5.032 17.967 2.354 1.00 0.00 O ATOM 436 CB PRO A 31 -3.909 19.104 5.039 1.00 0.00 C ATOM 437 CG PRO A 31 -3.514 20.544 5.138 1.00 0.00 C ATOM 438 CD PRO A 31 -3.245 21.017 3.706 1.00 0.00 C ATOM 0 HA PRO A 31 -2.284 18.012 4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.990 18.999 4.947 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.610 18.553 5.930 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.306 21.133 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.626 20.662 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.121 21.501 3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.431 21.741 3.672 1.00 0.00 H new ATOM 446 N ILE A 32 -3.747 16.302 3.147 1.00 0.00 N ATOM 447 CA ILE A 32 -4.498 15.248 2.473 1.00 0.00 C ATOM 448 C ILE A 32 -5.750 14.873 3.253 1.00 0.00 C ATOM 449 O ILE A 32 -5.688 14.587 4.446 1.00 0.00 O ATOM 450 CB ILE A 32 -3.587 14.022 2.307 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.466 14.350 1.279 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.406 12.802 1.840 1.00 0.00 C ATOM 453 CD1 ILE A 32 -1.102 13.956 1.831 1.00 0.00 C ATOM 0 H ILE A 32 -2.961 15.968 3.704 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.819 15.611 1.497 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.134 13.778 3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.654 13.819 0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.477 15.415 1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.746 11.942 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.174 12.575 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.878 13.025 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.331 14.193 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.909 14.507 2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.089 12.886 2.039 1.00 0.00 H new ATOM 465 N LEU A 33 -6.881 14.869 2.559 1.00 0.00 N ATOM 466 CA LEU A 33 -8.150 14.507 3.174 1.00 0.00 C ATOM 467 C LEU A 33 -8.184 13.005 3.447 1.00 0.00 C ATOM 468 O LEU A 33 -8.674 12.560 4.486 1.00 0.00 O ATOM 469 CB LEU A 33 -9.307 14.898 2.250 1.00 0.00 C ATOM 470 CG LEU A 33 -9.403 16.428 2.146 1.00 0.00 C ATOM 471 CD1 LEU A 33 -10.357 16.799 1.006 1.00 0.00 C ATOM 472 CD2 LEU A 33 -9.923 17.032 3.468 1.00 0.00 C ATOM 0 H LEU A 33 -6.945 15.112 1.570 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.255 15.042 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.155 14.467 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.243 14.492 2.634 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.409 16.829 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.428 17.884 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.978 16.393 0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.345 16.385 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.984 18.116 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.913 16.631 3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.240 16.776 4.278 1.00 0.00 H new ATOM 484 N GLU A 34 -7.658 12.231 2.498 1.00 0.00 N ATOM 485 CA GLU A 34 -7.625 10.776 2.625 1.00 0.00 C ATOM 486 C GLU A 34 -6.611 10.172 1.656 1.00 0.00 C ATOM 487 O GLU A 34 -6.094 10.856 0.773 1.00 0.00 O ATOM 488 CB GLU A 34 -9.012 10.194 2.318 1.00 0.00 C ATOM 489 CG GLU A 34 -9.667 11.016 1.207 1.00 0.00 C ATOM 490 CD GLU A 34 -10.960 10.350 0.749 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.664 9.819 1.593 1.00 0.00 O ATOM 492 OE2 GLU A 34 -11.226 10.380 -0.441 1.00 0.00 O ATOM 0 H GLU A 34 -7.250 12.588 1.634 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.334 10.531 3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.923 9.152 2.011 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.633 10.211 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.876 12.024 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.982 11.113 0.365 1.00 0.00 H new ATOM 499 N TYR A 35 -6.354 8.873 1.817 1.00 0.00 N ATOM 500 CA TYR A 35 -5.428 8.150 0.945 1.00 0.00 C ATOM 501 C TYR A 35 -6.176 7.068 0.173 1.00 0.00 C ATOM 502 O TYR A 35 -6.776 6.175 0.766 1.00 0.00 O ATOM 503 CB TYR A 35 -4.325 7.478 1.779 1.00 0.00 C ATOM 504 CG TYR A 35 -3.260 8.482 2.176 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.552 9.495 3.089 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.967 8.379 1.643 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.551 10.402 3.479 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.974 9.285 2.027 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.262 10.294 2.946 1.00 0.00 C ATOM 510 OH TYR A 35 -0.272 11.173 3.335 1.00 0.00 O ATOM 0 H TYR A 35 -6.776 8.298 2.546 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.983 8.865 0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.760 7.031 2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.872 6.669 1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.548 9.583 3.497 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.738 7.597 0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.777 11.182 4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.019 9.203 1.611 1.00 0.00 H new ATOM 0 HH TYR A 35 0.562 10.954 2.868 1.00 0.00 H new ATOM 520 N ILE A 36 -6.112 7.129 -1.143 1.00 0.00 N ATOM 521 CA ILE A 36 -6.755 6.117 -1.976 1.00 0.00 C ATOM 522 C ILE A 36 -5.709 5.086 -2.370 1.00 0.00 C ATOM 523 O ILE A 36 -4.746 5.399 -3.068 1.00 0.00 O ATOM 524 CB ILE A 36 -7.345 6.765 -3.224 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.343 7.844 -2.801 1.00 0.00 C ATOM 526 CG2 ILE A 36 -8.051 5.699 -4.069 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.734 8.693 -4.014 1.00 0.00 C ATOM 0 H ILE A 36 -5.626 7.861 -1.661 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.563 5.637 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.551 7.218 -3.818 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.230 7.382 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.904 8.476 -2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.473 6.162 -4.961 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.333 4.933 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.850 5.242 -3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.445 9.460 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.844 9.168 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.191 8.056 -4.771 1.00 0.00 H new ATOM 539 N VAL A 37 -5.883 3.863 -1.884 1.00 0.00 N ATOM 540 CA VAL A 37 -4.929 2.791 -2.150 1.00 0.00 C ATOM 541 C VAL A 37 -5.575 1.694 -2.976 1.00 0.00 C ATOM 542 O VAL A 37 -6.650 1.198 -2.635 1.00 0.00 O ATOM 543 CB VAL A 37 -4.471 2.194 -0.814 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.584 0.967 -1.079 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.709 3.254 0.026 1.00 0.00 C ATOM 0 H VAL A 37 -6.675 3.588 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.083 3.200 -2.702 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.345 1.883 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.258 0.542 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.152 0.221 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.712 1.267 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.392 2.811 0.970 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.834 3.595 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.365 4.101 0.225 1.00 0.00 H new ATOM 555 N LYS A 38 -4.900 1.294 -4.050 1.00 0.00 N ATOM 556 CA LYS A 38 -5.399 0.226 -4.909 1.00 0.00 C ATOM 557 C LYS A 38 -4.310 -0.829 -5.086 1.00 0.00 C ATOM 558 O LYS A 38 -3.162 -0.496 -5.359 1.00 0.00 O ATOM 559 CB LYS A 38 -5.788 0.784 -6.277 1.00 0.00 C ATOM 560 CG LYS A 38 -6.943 1.783 -6.132 1.00 0.00 C ATOM 561 CD LYS A 38 -7.299 2.376 -7.508 1.00 0.00 C ATOM 562 CE LYS A 38 -8.292 1.464 -8.241 1.00 0.00 C ATOM 563 NZ LYS A 38 -8.327 1.835 -9.685 1.00 0.00 N ATOM 0 H LYS A 38 -4.009 1.692 -4.345 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.279 -0.220 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.929 1.274 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.082 -0.030 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.814 1.286 -5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.661 2.581 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.731 3.369 -7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.395 2.495 -8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.997 0.421 -8.129 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.286 1.563 -7.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.999 1.219 -10.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.627 2.826 -9.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.379 1.719 -10.096 1.00 0.00 H new ATOM 577 N TYR A 39 -4.669 -2.101 -4.936 1.00 0.00 N ATOM 578 CA TYR A 39 -3.688 -3.183 -5.088 1.00 0.00 C ATOM 579 C TYR A 39 -4.310 -4.376 -5.812 1.00 0.00 C ATOM 580 O TYR A 39 -5.522 -4.584 -5.757 1.00 0.00 O ATOM 581 CB TYR A 39 -3.167 -3.610 -3.710 1.00 0.00 C ATOM 582 CG TYR A 39 -4.299 -4.142 -2.862 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.221 -3.260 -2.281 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.418 -5.521 -2.642 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.261 -3.758 -1.485 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.459 -6.018 -1.850 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.380 -5.137 -1.270 1.00 0.00 C ATOM 588 OH TYR A 39 -7.404 -5.627 -0.485 1.00 0.00 O ATOM 0 H TYR A 39 -5.615 -2.410 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.854 -2.817 -5.687 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.399 -4.375 -3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.699 -2.761 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.130 -2.197 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.705 -6.201 -3.084 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.971 -3.078 -1.037 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.552 -7.081 -1.686 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.342 -6.604 -0.439 1.00 0.00 H new ATOM 598 N ARG A 40 -3.466 -5.148 -6.504 1.00 0.00 N ATOM 599 CA ARG A 40 -3.933 -6.315 -7.256 1.00 0.00 C ATOM 600 C ARG A 40 -2.904 -7.432 -7.235 1.00 0.00 C ATOM 601 O ARG A 40 -1.781 -7.230 -6.796 1.00 0.00 O ATOM 602 CB ARG A 40 -4.196 -5.940 -8.718 1.00 0.00 C ATOM 603 CG ARG A 40 -2.917 -5.402 -9.398 1.00 0.00 C ATOM 604 CD ARG A 40 -3.023 -5.633 -10.906 1.00 0.00 C ATOM 605 NE ARG A 40 -1.896 -5.035 -11.616 1.00 0.00 N ATOM 606 CZ ARG A 40 -0.755 -5.698 -11.792 1.00 0.00 C ATOM 607 NH1 ARG A 40 -0.608 -6.888 -11.281 1.00 0.00 N ATOM 608 NH2 ARG A 40 0.219 -5.154 -12.469 1.00 0.00 N ATOM 0 H ARG A 40 -2.460 -4.986 -6.558 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.852 -6.656 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.559 -6.813 -9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.981 -5.186 -8.767 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.796 -4.339 -9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.037 -5.908 -9.000 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.058 -6.703 -11.110 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.956 -5.208 -11.276 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.985 -4.088 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.367 -7.311 -10.747 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.266 -7.396 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.106 -4.220 -12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.093 -5.663 -12.603 1.00 0.00 H new ATOM 622 N SER A 41 -3.282 -8.595 -7.763 1.00 0.00 N ATOM 623 CA SER A 41 -2.362 -9.721 -7.843 1.00 0.00 C ATOM 624 C SER A 41 -1.435 -9.532 -9.039 1.00 0.00 C ATOM 625 O SER A 41 -1.867 -9.085 -10.100 1.00 0.00 O ATOM 626 CB SER A 41 -3.130 -11.036 -7.994 1.00 0.00 C ATOM 627 OG SER A 41 -4.160 -11.096 -7.017 1.00 0.00 O ATOM 0 H SER A 41 -4.212 -8.779 -8.138 1.00 0.00 H new ATOM 0 HA SER A 41 -1.778 -9.763 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.558 -11.107 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.452 -11.881 -7.876 1.00 0.00 H new ATOM 0 HG SER A 41 -3.784 -10.904 -6.133 1.00 0.00 H new ATOM 633 N LYS A 42 -0.163 -9.866 -8.865 1.00 0.00 N ATOM 634 CA LYS A 42 0.800 -9.717 -9.950 1.00 0.00 C ATOM 635 C LYS A 42 0.432 -10.599 -11.142 1.00 0.00 C ATOM 636 O LYS A 42 0.633 -10.210 -12.292 1.00 0.00 O ATOM 637 CB LYS A 42 2.231 -10.026 -9.455 1.00 0.00 C ATOM 638 CG LYS A 42 2.822 -8.785 -8.773 1.00 0.00 C ATOM 639 CD LYS A 42 4.293 -9.016 -8.421 1.00 0.00 C ATOM 640 CE LYS A 42 4.870 -7.737 -7.808 1.00 0.00 C ATOM 641 NZ LYS A 42 6.334 -7.905 -7.595 1.00 0.00 N ATOM 0 H LYS A 42 0.223 -10.237 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 42 0.771 -8.680 -10.285 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.212 -10.862 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.859 -10.326 -10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.731 -7.922 -9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.257 -8.556 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.386 -9.844 -7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.854 -9.291 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.683 -6.889 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.376 -7.520 -6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.726 -7.036 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.502 -8.704 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.798 -8.092 -8.507 1.00 0.00 H new ATOM 655 N ASP A 43 -0.095 -11.785 -10.867 1.00 0.00 N ATOM 656 CA ASP A 43 -0.474 -12.709 -11.932 1.00 0.00 C ATOM 657 C ASP A 43 -1.580 -12.110 -12.799 1.00 0.00 C ATOM 658 O ASP A 43 -1.597 -12.305 -14.014 1.00 0.00 O ATOM 659 CB ASP A 43 -0.955 -14.022 -11.318 1.00 0.00 C ATOM 660 CG ASP A 43 0.217 -14.726 -10.642 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.264 -14.112 -10.531 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.054 -15.874 -10.258 1.00 0.00 O ATOM 0 H ASP A 43 -0.270 -12.130 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 43 0.396 -12.894 -12.562 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.745 -13.829 -10.592 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.382 -14.662 -12.090 1.00 0.00 H new ATOM 667 N LYS A 44 -2.506 -11.390 -12.166 1.00 0.00 N ATOM 668 CA LYS A 44 -3.621 -10.768 -12.864 1.00 0.00 C ATOM 669 C LYS A 44 -3.358 -9.291 -13.074 1.00 0.00 C ATOM 670 O LYS A 44 -2.645 -8.650 -12.305 1.00 0.00 O ATOM 671 CB LYS A 44 -4.906 -10.949 -12.045 1.00 0.00 C ATOM 672 CG LYS A 44 -5.190 -12.445 -11.860 1.00 0.00 C ATOM 673 CD LYS A 44 -5.901 -13.014 -13.101 1.00 0.00 C ATOM 674 CE LYS A 44 -5.670 -14.517 -13.169 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.410 -15.078 -14.335 1.00 0.00 N ATOM 0 H LYS A 44 -2.501 -11.224 -11.160 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.735 -11.246 -13.837 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.802 -10.465 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.743 -10.469 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.256 -12.981 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.810 -12.597 -10.976 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.969 -12.801 -13.052 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.521 -12.535 -14.003 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.605 -14.729 -13.264 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.008 -14.990 -12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.254 -16.105 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.426 -14.887 -14.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.067 -14.634 -15.210 1.00 0.00 H new ATOM 689 N GLU A 45 -3.933 -8.770 -14.144 1.00 0.00 N ATOM 690 CA GLU A 45 -3.760 -7.353 -14.498 1.00 0.00 C ATOM 691 C GLU A 45 -5.066 -6.712 -14.970 1.00 0.00 C ATOM 692 O GLU A 45 -5.044 -5.669 -15.625 1.00 0.00 O ATOM 693 CB GLU A 45 -2.710 -7.223 -15.602 1.00 0.00 C ATOM 694 CG GLU A 45 -1.335 -7.608 -15.054 1.00 0.00 C ATOM 695 CD GLU A 45 -0.304 -7.585 -16.177 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.696 -7.343 -17.307 1.00 0.00 O ATOM 697 OE2 GLU A 45 0.861 -7.812 -15.894 1.00 0.00 O ATOM 0 H GLU A 45 -4.524 -9.297 -14.787 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.436 -6.830 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.970 -7.867 -16.442 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.689 -6.200 -15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.042 -6.916 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.377 -8.601 -14.607 1.00 0.00 H new ATOM 704 N ASP A 46 -6.201 -7.323 -14.629 1.00 0.00 N ATOM 705 CA ASP A 46 -7.511 -6.786 -15.020 1.00 0.00 C ATOM 706 C ASP A 46 -8.423 -6.665 -13.805 1.00 0.00 C ATOM 707 O ASP A 46 -9.644 -6.567 -13.936 1.00 0.00 O ATOM 708 CB ASP A 46 -8.155 -7.705 -16.061 1.00 0.00 C ATOM 709 CG ASP A 46 -8.191 -9.137 -15.539 1.00 0.00 C ATOM 710 OD1 ASP A 46 -7.400 -9.448 -14.663 1.00 0.00 O ATOM 711 OD2 ASP A 46 -9.001 -9.906 -16.031 1.00 0.00 O ATOM 0 H ASP A 46 -6.243 -8.185 -14.086 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.369 -5.794 -15.449 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.166 -7.364 -16.283 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.592 -7.663 -16.994 1.00 0.00 H new ATOM 716 N GLN A 47 -7.825 -6.678 -12.616 1.00 0.00 N ATOM 717 CA GLN A 47 -8.591 -6.576 -11.370 1.00 0.00 C ATOM 718 C GLN A 47 -7.842 -5.725 -10.351 1.00 0.00 C ATOM 719 O GLN A 47 -6.790 -6.128 -9.857 1.00 0.00 O ATOM 720 CB GLN A 47 -8.817 -7.977 -10.794 1.00 0.00 C ATOM 721 CG GLN A 47 -9.762 -8.772 -11.698 1.00 0.00 C ATOM 722 CD GLN A 47 -9.937 -10.178 -11.135 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.748 -10.389 -10.232 1.00 0.00 O ATOM 724 NE2 GLN A 47 -9.227 -11.159 -11.618 1.00 0.00 N ATOM 0 H GLN A 47 -6.816 -6.758 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.550 -6.104 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -7.864 -8.499 -10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.238 -7.903 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.728 -8.271 -11.763 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.360 -8.821 -12.710 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.556 -10.983 -12.366 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.343 -12.103 -11.248 1.00 0.00 H new ATOM 733 N TRP A 48 -8.396 -4.547 -10.031 1.00 0.00 N ATOM 734 CA TRP A 48 -7.775 -3.641 -9.055 1.00 0.00 C ATOM 735 C TRP A 48 -8.704 -3.399 -7.868 1.00 0.00 C ATOM 736 O TRP A 48 -9.800 -2.854 -8.007 1.00 0.00 O ATOM 737 CB TRP A 48 -7.404 -2.310 -9.728 1.00 0.00 C ATOM 738 CG TRP A 48 -6.113 -2.444 -10.483 1.00 0.00 C ATOM 739 CD1 TRP A 48 -5.987 -2.792 -11.786 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.755 -2.221 -9.992 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.641 -2.785 -12.122 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.846 -2.437 -11.049 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.238 -1.847 -8.741 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.468 -2.285 -10.870 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.856 -1.697 -8.556 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.972 -1.913 -9.620 1.00 0.00 C ATOM 0 H TRP A 48 -9.268 -4.201 -10.431 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.865 -4.111 -8.681 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.200 -2.005 -10.408 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.312 -1.528 -8.974 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.801 -3.035 -12.454 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.282 -3.010 -13.050 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.911 -1.673 -7.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.791 -2.455 -11.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.471 -1.413 -7.587 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.909 -1.792 -9.474 1.00 0.00 H new ATOM 757 N LEU A 49 -8.230 -3.803 -6.692 1.00 0.00 N ATOM 758 CA LEU A 49 -8.985 -3.634 -5.456 1.00 0.00 C ATOM 759 C LEU A 49 -8.835 -2.199 -4.961 1.00 0.00 C ATOM 760 O LEU A 49 -7.907 -1.505 -5.358 1.00 0.00 O ATOM 761 CB LEU A 49 -8.470 -4.607 -4.391 1.00 0.00 C ATOM 762 CG LEU A 49 -8.488 -6.037 -4.947 1.00 0.00 C ATOM 763 CD1 LEU A 49 -7.991 -7.010 -3.875 1.00 0.00 C ATOM 764 CD2 LEU A 49 -9.915 -6.422 -5.376 1.00 0.00 C ATOM 0 H LEU A 49 -7.322 -4.252 -6.570 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.038 -3.844 -5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.457 -4.334 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.091 -4.546 -3.497 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.833 -6.088 -5.817 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.004 -8.025 -4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.973 -6.746 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.641 -6.953 -3.002 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.915 -7.439 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.581 -6.366 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.261 -5.735 -6.148 1.00 0.00 H new ATOM 776 N GLU A 50 -9.757 -1.752 -4.107 1.00 0.00 N ATOM 777 CA GLU A 50 -9.709 -0.381 -3.574 1.00 0.00 C ATOM 778 C GLU A 50 -9.544 -0.398 -2.055 1.00 0.00 C ATOM 779 O GLU A 50 -9.965 -1.343 -1.387 1.00 0.00 O ATOM 780 CB GLU A 50 -10.999 0.360 -3.928 1.00 0.00 C ATOM 781 CG GLU A 50 -11.189 0.393 -5.455 1.00 0.00 C ATOM 782 CD GLU A 50 -11.825 -0.910 -5.935 1.00 0.00 C ATOM 783 OE1 GLU A 50 -11.998 -1.797 -5.114 1.00 0.00 O ATOM 784 OE2 GLU A 50 -12.131 -1.003 -7.112 1.00 0.00 O ATOM 0 H GLU A 50 -10.541 -2.310 -3.769 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.855 0.129 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.851 -0.132 -3.458 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.963 1.377 -3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.820 1.238 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.227 0.539 -5.946 1.00 0.00 H new ATOM 791 N LYS A 51 -8.927 0.654 -1.517 1.00 0.00 N ATOM 792 CA LYS A 51 -8.711 0.755 -0.077 1.00 0.00 C ATOM 793 C LYS A 51 -8.508 2.225 0.298 1.00 0.00 C ATOM 794 O LYS A 51 -7.520 2.838 -0.083 1.00 0.00 O ATOM 795 CB LYS A 51 -7.490 -0.117 0.305 1.00 0.00 C ATOM 796 CG LYS A 51 -6.951 0.188 1.742 1.00 0.00 C ATOM 797 CD LYS A 51 -7.369 -0.903 2.753 1.00 0.00 C ATOM 798 CE LYS A 51 -8.801 -0.660 3.236 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.137 -1.654 4.294 1.00 0.00 N ATOM 0 H LYS A 51 -8.570 1.444 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.576 0.388 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.767 -1.169 0.242 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.692 0.046 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.864 0.261 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.328 1.155 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.297 -1.886 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.686 -0.902 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.898 0.353 3.628 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.498 -0.748 2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.109 -1.493 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.059 -2.615 3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.478 -1.549 5.091 1.00 0.00 H new ATOM 813 N LYS A 52 -9.455 2.787 1.046 1.00 0.00 N ATOM 814 CA LYS A 52 -9.367 4.195 1.453 1.00 0.00 C ATOM 815 C LYS A 52 -8.800 4.308 2.869 1.00 0.00 C ATOM 816 O LYS A 52 -9.063 3.454 3.718 1.00 0.00 O ATOM 817 CB LYS A 52 -10.762 4.826 1.428 1.00 0.00 C ATOM 818 CG LYS A 52 -11.500 4.460 0.132 1.00 0.00 C ATOM 819 CD LYS A 52 -10.781 5.051 -1.085 1.00 0.00 C ATOM 820 CE LYS A 52 -11.641 4.825 -2.329 1.00 0.00 C ATOM 821 NZ LYS A 52 -11.832 3.363 -2.538 1.00 0.00 N ATOM 0 H LYS A 52 -10.285 2.299 1.382 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.707 4.715 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.337 4.484 2.289 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.678 5.910 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.559 3.376 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.523 4.833 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.605 6.117 -0.938 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.806 4.581 -1.211 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.607 5.316 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.162 5.269 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.974 3.173 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.990 2.852 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.666 3.042 -2.005 1.00 0.00 H new ATOM 835 N VAL A 53 -8.038 5.376 3.133 1.00 0.00 N ATOM 836 CA VAL A 53 -7.467 5.592 4.469 1.00 0.00 C ATOM 837 C VAL A 53 -7.579 7.069 4.856 1.00 0.00 C ATOM 838 O VAL A 53 -7.719 7.942 4.003 1.00 0.00 O ATOM 839 CB VAL A 53 -5.990 5.114 4.542 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.776 4.267 5.800 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.646 4.275 3.309 1.00 0.00 C ATOM 0 H VAL A 53 -7.804 6.096 2.449 1.00 0.00 H new ATOM 0 HA VAL A 53 -8.038 4.996 5.181 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.343 5.990 4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.738 3.936 5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -6.004 4.863 6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.433 3.398 5.770 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.609 3.946 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.301 3.405 3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.783 4.876 2.410 1.00 0.00 H new ATOM 851 N GLN A 54 -7.524 7.318 6.156 1.00 0.00 N ATOM 852 CA GLN A 54 -7.627 8.671 6.694 1.00 0.00 C ATOM 853 C GLN A 54 -6.363 9.467 6.381 1.00 0.00 C ATOM 854 O GLN A 54 -5.266 8.912 6.343 1.00 0.00 O ATOM 855 CB GLN A 54 -7.820 8.596 8.209 1.00 0.00 C ATOM 856 CG GLN A 54 -8.173 9.978 8.760 1.00 0.00 C ATOM 857 CD GLN A 54 -9.562 10.405 8.298 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.881 11.594 8.317 1.00 0.00 O ATOM 859 NE2 GLN A 54 -10.422 9.508 7.894 1.00 0.00 N ATOM 0 H GLN A 54 -7.408 6.595 6.866 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.479 9.172 6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.612 7.887 8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.909 8.228 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.136 9.961 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.434 10.707 8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.161 8.522 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.355 9.794 7.596 1.00 0.00 H new ATOM 868 N GLY A 55 -6.527 10.770 6.163 1.00 0.00 N ATOM 869 CA GLY A 55 -5.393 11.632 5.855 1.00 0.00 C ATOM 870 C GLY A 55 -4.363 11.641 6.979 1.00 0.00 C ATOM 871 O GLY A 55 -3.376 12.373 6.916 1.00 0.00 O ATOM 0 H GLY A 55 -7.428 11.247 6.194 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.921 11.294 4.933 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.747 12.648 5.679 1.00 0.00 H new ATOM 875 N ASN A 56 -4.595 10.832 8.016 1.00 0.00 N ATOM 876 CA ASN A 56 -3.672 10.774 9.155 1.00 0.00 C ATOM 877 C ASN A 56 -3.356 9.331 9.545 1.00 0.00 C ATOM 878 O ASN A 56 -2.605 9.097 10.491 1.00 0.00 O ATOM 879 CB ASN A 56 -4.288 11.498 10.353 1.00 0.00 C ATOM 880 CG ASN A 56 -3.240 11.674 11.447 1.00 0.00 C ATOM 881 OD1 ASN A 56 -3.100 10.815 12.315 1.00 0.00 O ATOM 882 ND2 ASN A 56 -2.479 12.735 11.448 1.00 0.00 N ATOM 0 H ASN A 56 -5.403 10.215 8.092 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.742 11.260 8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.671 12.471 10.044 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.135 10.929 10.737 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.768 12.852 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.596 13.447 10.727 1.00 0.00 H new ATOM 889 N LYS A 57 -3.919 8.365 8.825 1.00 0.00 N ATOM 890 CA LYS A 57 -3.657 6.964 9.147 1.00 0.00 C ATOM 891 C LYS A 57 -2.175 6.664 8.930 1.00 0.00 C ATOM 892 O LYS A 57 -1.538 5.996 9.743 1.00 0.00 O ATOM 893 CB LYS A 57 -4.518 6.037 8.273 1.00 0.00 C ATOM 894 CG LYS A 57 -4.739 4.684 8.994 1.00 0.00 C ATOM 895 CD LYS A 57 -6.022 4.750 9.828 1.00 0.00 C ATOM 896 CE LYS A 57 -6.223 3.425 10.564 1.00 0.00 C ATOM 897 NZ LYS A 57 -5.207 3.297 11.645 1.00 0.00 N ATOM 0 H LYS A 57 -4.544 8.519 8.034 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.916 6.785 10.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.478 6.509 8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.029 5.871 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.809 3.878 8.263 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.887 4.459 9.636 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.961 5.570 10.544 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.877 4.953 9.183 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.227 3.381 10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.134 2.592 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.888 2.309 11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.394 3.910 11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.628 3.582 12.552 1.00 0.00 H new ATOM 911 N ASP A 58 -1.652 7.177 7.816 1.00 0.00 N ATOM 912 CA ASP A 58 -0.250 7.006 7.446 1.00 0.00 C ATOM 913 C ASP A 58 0.214 5.556 7.549 1.00 0.00 C ATOM 914 O ASP A 58 1.388 5.303 7.821 1.00 0.00 O ATOM 915 CB ASP A 58 0.635 7.903 8.322 1.00 0.00 C ATOM 916 CG ASP A 58 0.594 7.443 9.774 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.950 6.304 10.026 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.210 8.239 10.615 1.00 0.00 O ATOM 0 H ASP A 58 -2.191 7.724 7.145 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.157 7.298 6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.661 7.879 7.956 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.296 8.937 8.253 1.00 0.00 H new ATOM 923 N HIS A 59 -0.699 4.613 7.303 1.00 0.00 N ATOM 924 CA HIS A 59 -0.366 3.179 7.353 1.00 0.00 C ATOM 925 C HIS A 59 -1.605 2.323 7.061 1.00 0.00 C ATOM 926 O HIS A 59 -2.733 2.736 7.333 1.00 0.00 O ATOM 927 CB HIS A 59 0.238 2.793 8.735 1.00 0.00 C ATOM 928 CG HIS A 59 -0.821 2.242 9.663 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.446 3.019 10.627 1.00 0.00 N ATOM 930 CD2 HIS A 59 -1.377 0.993 9.772 1.00 0.00 C ATOM 931 CE1 HIS A 59 -2.332 2.234 11.266 1.00 0.00 C ATOM 932 NE2 HIS A 59 -2.329 0.988 10.785 1.00 0.00 N ATOM 0 H HIS A 59 -1.672 4.811 7.068 1.00 0.00 H new ATOM 0 HA HIS A 59 0.382 2.985 6.584 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.024 2.051 8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.702 3.669 9.189 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -1.267 4.005 10.817 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.115 0.141 9.162 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.969 2.571 12.071 1.00 0.00 H new ATOM 940 N ILE A 60 -1.384 1.121 6.524 1.00 0.00 N ATOM 941 CA ILE A 60 -2.490 0.208 6.222 1.00 0.00 C ATOM 942 C ILE A 60 -2.033 -1.245 6.305 1.00 0.00 C ATOM 943 O ILE A 60 -1.039 -1.631 5.689 1.00 0.00 O ATOM 944 CB ILE A 60 -3.056 0.475 4.815 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.897 0.655 3.818 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.930 1.733 4.825 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.431 1.146 2.470 1.00 0.00 C ATOM 0 H ILE A 60 -0.459 0.759 6.291 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.269 0.385 6.963 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.667 -0.375 4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.175 1.369 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.371 -0.290 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.324 1.910 3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.757 1.596 5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.332 2.589 5.136 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.602 1.270 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.135 0.417 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.937 2.102 2.605 1.00 0.00 H new ATOM 959 N ILE A 61 -2.785 -2.058 7.051 1.00 0.00 N ATOM 960 CA ILE A 61 -2.465 -3.479 7.181 1.00 0.00 C ATOM 961 C ILE A 61 -3.349 -4.286 6.239 1.00 0.00 C ATOM 962 O ILE A 61 -4.525 -4.513 6.521 1.00 0.00 O ATOM 963 CB ILE A 61 -2.714 -3.955 8.616 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.024 -3.016 9.617 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.169 -5.376 8.787 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.540 -2.873 9.274 1.00 0.00 C ATOM 0 H ILE A 61 -3.611 -1.759 7.569 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.414 -3.622 6.931 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.787 -3.948 8.808 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.504 -2.038 9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.135 -3.407 10.628 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.347 -5.713 9.808 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.674 -6.046 8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.098 -5.382 8.584 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.063 -2.205 9.991 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.061 -3.851 9.316 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.437 -2.461 8.270 1.00 0.00 H new ATOM 978 N LEU A 62 -2.774 -4.726 5.123 1.00 0.00 N ATOM 979 CA LEU A 62 -3.525 -5.518 4.152 1.00 0.00 C ATOM 980 C LEU A 62 -3.351 -6.991 4.481 1.00 0.00 C ATOM 981 O LEU A 62 -2.297 -7.563 4.232 1.00 0.00 O ATOM 982 CB LEU A 62 -2.986 -5.247 2.746 1.00 0.00 C ATOM 983 CG LEU A 62 -2.951 -3.740 2.481 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.238 -3.486 1.153 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.380 -3.184 2.417 1.00 0.00 C ATOM 0 H LEU A 62 -1.802 -4.551 4.870 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.580 -5.249 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.985 -5.666 2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.615 -5.741 2.005 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.417 -3.240 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.208 -2.415 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.221 -3.874 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.776 -3.988 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.345 -2.111 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.926 -3.676 1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.885 -3.369 3.365 1.00 0.00 H new ATOM 997 N GLU A 63 -4.385 -7.592 5.059 1.00 0.00 N ATOM 998 CA GLU A 63 -4.337 -9.001 5.450 1.00 0.00 C ATOM 999 C GLU A 63 -4.947 -9.892 4.378 1.00 0.00 C ATOM 1000 O GLU A 63 -5.832 -9.470 3.636 1.00 0.00 O ATOM 1001 CB GLU A 63 -5.100 -9.180 6.761 1.00 0.00 C ATOM 1002 CG GLU A 63 -4.932 -10.607 7.285 1.00 0.00 C ATOM 1003 CD GLU A 63 -5.565 -10.708 8.669 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -6.688 -10.254 8.815 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -4.915 -11.219 9.566 1.00 0.00 O ATOM 0 H GLU A 63 -5.269 -7.127 5.268 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.294 -9.292 5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.735 -8.468 7.502 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.157 -8.965 6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.403 -11.316 6.604 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.875 -10.867 7.335 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.453 -11.127 4.317 1.00 0.00 N ATOM 1013 CA HIS A 64 -4.920 -12.123 3.347 1.00 0.00 C ATOM 1014 C HIS A 64 -4.110 -12.024 2.056 1.00 0.00 C ATOM 1015 O HIS A 64 -4.660 -11.767 0.985 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.421 -11.936 3.042 1.00 0.00 C ATOM 1017 CG HIS A 64 -7.022 -13.229 2.556 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -8.382 -13.483 2.635 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -6.467 -14.342 1.971 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -8.602 -14.700 2.107 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.468 -15.268 1.687 1.00 0.00 N ATOM 0 H HIS A 64 -3.718 -11.468 4.937 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.778 -13.112 3.783 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.942 -11.600 3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.552 -11.160 2.287 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.416 -14.478 1.763 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -9.576 -15.161 2.032 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.359 -16.184 1.252 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.799 -12.241 2.170 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.902 -12.185 1.011 1.00 0.00 C ATOM 1031 C LEU A 65 -1.137 -13.499 0.882 1.00 0.00 C ATOM 1032 O LEU A 65 -0.076 -13.664 1.483 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.901 -11.031 1.180 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.650 -9.711 1.396 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.636 -8.585 1.623 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.510 -9.384 0.164 1.00 0.00 C ATOM 0 H LEU A 65 -2.333 -12.457 3.051 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.498 -12.022 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.246 -11.229 2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.266 -10.958 0.297 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.298 -9.806 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.165 -7.645 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.033 -8.810 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.012 -8.498 0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.038 -8.445 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.869 -9.292 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.233 -10.183 0.003 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.683 -14.440 0.109 1.00 0.00 N ATOM 1049 CA GLN A 66 -1.033 -15.741 -0.060 1.00 0.00 C ATOM 1050 C GLN A 66 0.487 -15.597 -0.164 1.00 0.00 C ATOM 1051 O GLN A 66 1.003 -14.632 -0.727 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.574 -16.470 -1.293 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.994 -16.973 -1.018 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.535 -17.705 -2.240 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -3.267 -17.309 -3.374 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -4.280 -18.765 -2.075 1.00 0.00 N ATOM 0 H GLN A 66 -2.559 -14.329 -0.402 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.262 -16.333 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.576 -15.799 -2.152 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.924 -17.308 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.991 -17.640 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.644 -16.134 -0.770 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.501 -19.092 -1.134 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.641 -19.266 -2.887 1.00 0.00 H new ATOM 1065 N TRP A 67 1.184 -16.569 0.413 1.00 0.00 N ATOM 1066 CA TRP A 67 2.648 -16.578 0.430 1.00 0.00 C ATOM 1067 C TRP A 67 3.235 -16.966 -0.927 1.00 0.00 C ATOM 1068 O TRP A 67 4.448 -16.887 -1.125 1.00 0.00 O ATOM 1069 CB TRP A 67 3.126 -17.596 1.464 1.00 0.00 C ATOM 1070 CG TRP A 67 2.564 -17.269 2.807 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.441 -17.817 3.321 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.069 -16.349 3.820 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.226 -17.296 4.582 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.204 -16.392 4.935 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.189 -15.496 3.884 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.436 -15.618 6.070 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.426 -14.716 5.030 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.549 -14.777 6.120 1.00 0.00 C ATOM 0 H TRP A 67 0.757 -17.369 0.880 1.00 0.00 H new ATOM 0 HA TRP A 67 2.982 -15.570 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 67 2.818 -18.599 1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.215 -17.597 1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 67 0.814 -18.544 2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.439 -17.550 5.179 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.870 -15.441 3.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.757 -15.669 6.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.288 -14.067 5.070 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.733 -14.175 6.997 1.00 0.00 H new ATOM 1089 N THR A 68 2.382 -17.412 -1.848 1.00 0.00 N ATOM 1090 CA THR A 68 2.838 -17.845 -3.176 1.00 0.00 C ATOM 1091 C THR A 68 2.310 -16.930 -4.270 1.00 0.00 C ATOM 1092 O THR A 68 2.267 -17.312 -5.441 1.00 0.00 O ATOM 1093 CB THR A 68 2.362 -19.275 -3.432 1.00 0.00 C ATOM 1094 OG1 THR A 68 0.941 -19.312 -3.399 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.922 -20.193 -2.343 1.00 0.00 C ATOM 0 H THR A 68 1.375 -17.484 -1.704 1.00 0.00 H new ATOM 0 HA THR A 68 3.927 -17.801 -3.195 1.00 0.00 H new ATOM 0 HB THR A 68 2.711 -19.610 -4.409 1.00 0.00 H new ATOM 0 HG1 THR A 68 0.634 -20.228 -3.565 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.586 -21.215 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.011 -20.160 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.568 -19.859 -1.368 1.00 0.00 H new ATOM 1103 N MET A 69 1.903 -15.722 -3.891 1.00 0.00 N ATOM 1104 CA MET A 69 1.373 -14.759 -4.856 1.00 0.00 C ATOM 1105 C MET A 69 1.818 -13.351 -4.495 1.00 0.00 C ATOM 1106 O MET A 69 1.783 -12.961 -3.327 1.00 0.00 O ATOM 1107 CB MET A 69 -0.156 -14.811 -4.846 1.00 0.00 C ATOM 1108 CG MET A 69 -0.654 -16.138 -5.430 1.00 0.00 C ATOM 1109 SD MET A 69 -0.217 -16.230 -7.185 1.00 0.00 S ATOM 1110 CE MET A 69 -1.341 -14.948 -7.796 1.00 0.00 C ATOM 0 H MET A 69 1.929 -15.386 -2.928 1.00 0.00 H new ATOM 0 HA MET A 69 1.750 -15.015 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.523 -14.696 -3.826 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.557 -13.979 -5.425 1.00 0.00 H new ATOM 0 HG2 MET A 69 -0.210 -16.974 -4.890 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.734 -16.218 -5.309 1.00 0.00 H new ATOM 0 HE1 MET A 69 -1.855 -15.309 -8.687 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.075 -14.710 -7.026 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.771 -14.052 -8.044 1.00 0.00 H new ATOM 1120 N GLY A 70 2.227 -12.578 -5.499 1.00 0.00 N ATOM 1121 CA GLY A 70 2.662 -11.210 -5.259 1.00 0.00 C ATOM 1122 C GLY A 70 1.515 -10.234 -5.462 1.00 0.00 C ATOM 1123 O GLY A 70 0.497 -10.571 -6.069 1.00 0.00 O ATOM 0 H GLY A 70 2.265 -12.874 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.047 -11.119 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.481 -10.961 -5.934 1.00 0.00 H new ATOM 1127 N TYR A 71 1.681 -9.019 -4.945 1.00 0.00 N ATOM 1128 CA TYR A 71 0.647 -7.992 -5.069 1.00 0.00 C ATOM 1129 C TYR A 71 1.253 -6.602 -5.234 1.00 0.00 C ATOM 1130 O TYR A 71 2.095 -6.187 -4.437 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.244 -7.993 -3.825 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.960 -9.315 -3.697 1.00 0.00 C ATOM 1133 CD1 TYR A 71 -2.202 -9.503 -4.315 1.00 0.00 C ATOM 1134 CD2 TYR A 71 -0.387 -10.354 -2.945 1.00 0.00 C ATOM 1135 CE1 TYR A 71 -2.871 -10.726 -4.185 1.00 0.00 C ATOM 1136 CE2 TYR A 71 -1.057 -11.575 -2.816 1.00 0.00 C ATOM 1137 CZ TYR A 71 -2.299 -11.763 -3.435 1.00 0.00 C ATOM 1138 OH TYR A 71 -2.962 -12.964 -3.303 1.00 0.00 O ATOM 0 H TYR A 71 2.515 -8.722 -4.439 1.00 0.00 H new ATOM 0 HA TYR A 71 0.060 -8.226 -5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.360 -7.811 -2.936 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -0.970 -7.183 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.644 -8.704 -4.892 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.571 -10.210 -2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.829 -10.871 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.616 -12.374 -2.238 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.427 -13.574 -2.753 1.00 0.00 H new ATOM 1148 N GLU A 72 0.791 -5.870 -6.253 1.00 0.00 N ATOM 1149 CA GLU A 72 1.268 -4.507 -6.493 1.00 0.00 C ATOM 1150 C GLU A 72 0.400 -3.538 -5.699 1.00 0.00 C ATOM 1151 O GLU A 72 -0.751 -3.845 -5.395 1.00 0.00 O ATOM 1152 CB GLU A 72 1.210 -4.171 -8.000 1.00 0.00 C ATOM 1153 CG GLU A 72 1.372 -5.455 -8.814 1.00 0.00 C ATOM 1154 CD GLU A 72 1.790 -5.134 -10.246 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.975 -3.965 -10.546 1.00 0.00 O ATOM 1156 OE2 GLU A 72 1.923 -6.066 -11.024 1.00 0.00 O ATOM 0 H GLU A 72 0.092 -6.197 -6.920 1.00 0.00 H new ATOM 0 HA GLU A 72 2.305 -4.420 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.261 -3.692 -8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.998 -3.463 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.119 -6.097 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.434 -6.010 -8.819 1.00 0.00 H new ATOM 1163 N VAL A 73 0.950 -2.379 -5.343 1.00 0.00 N ATOM 1164 CA VAL A 73 0.200 -1.391 -4.562 1.00 0.00 C ATOM 1165 C VAL A 73 0.360 0.006 -5.150 1.00 0.00 C ATOM 1166 O VAL A 73 1.457 0.413 -5.515 1.00 0.00 O ATOM 1167 CB VAL A 73 0.696 -1.403 -3.116 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.357 -0.782 -2.192 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.981 -2.851 -2.698 1.00 0.00 C ATOM 0 H VAL A 73 1.902 -2.100 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.857 -1.655 -4.593 1.00 0.00 H new ATOM 0 HB VAL A 73 1.611 -0.815 -3.038 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.007 -0.796 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.546 0.247 -2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.282 -1.355 -2.257 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.335 -2.869 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.067 -3.439 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.743 -3.275 -3.351 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.750 0.725 -5.244 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.758 2.076 -5.798 1.00 0.00 C ATOM 1181 C GLN A 74 -1.393 3.049 -4.807 1.00 0.00 C ATOM 1182 O GLN A 74 -2.600 3.019 -4.567 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.529 2.040 -7.112 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.759 3.453 -7.660 1.00 0.00 C ATOM 1185 CD GLN A 74 -2.435 3.368 -9.023 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -2.979 2.324 -9.383 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.445 4.414 -9.805 1.00 0.00 N ATOM 0 H GLN A 74 -1.666 0.393 -4.941 1.00 0.00 H new ATOM 0 HA GLN A 74 0.259 2.422 -5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.978 1.449 -7.844 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.488 1.546 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.379 4.025 -6.970 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.809 3.980 -7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -1.994 5.279 -9.506 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.904 4.366 -10.715 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.554 3.896 -4.220 1.00 0.00 N ATOM 1197 CA ILE A 75 -1.000 4.875 -3.229 1.00 0.00 C ATOM 1198 C ILE A 75 -1.243 6.238 -3.874 1.00 0.00 C ATOM 1199 O ILE A 75 -0.413 6.736 -4.620 1.00 0.00 O ATOM 1200 CB ILE A 75 0.085 4.992 -2.121 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.175 3.981 -0.997 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.129 6.401 -1.515 1.00 0.00 C ATOM 1203 CD1 ILE A 75 0.025 2.564 -1.530 1.00 0.00 C ATOM 0 H ILE A 75 0.447 3.926 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.943 4.541 -2.796 1.00 0.00 H new ATOM 0 HB ILE A 75 1.043 4.782 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.502 4.166 -0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.190 4.098 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.899 6.442 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.358 7.126 -2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.839 6.637 -1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.160 1.845 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.670 2.382 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.048 2.452 -1.890 1.00 0.00 H new ATOM 1215 N THR A 76 -2.360 6.863 -3.535 1.00 0.00 N ATOM 1216 CA THR A 76 -2.656 8.204 -4.037 1.00 0.00 C ATOM 1217 C THR A 76 -3.184 9.032 -2.882 1.00 0.00 C ATOM 1218 O THR A 76 -4.147 8.648 -2.224 1.00 0.00 O ATOM 1219 CB THR A 76 -3.674 8.170 -5.179 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.323 7.142 -6.094 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.669 9.517 -5.906 1.00 0.00 C ATOM 0 H THR A 76 -3.073 6.471 -2.920 1.00 0.00 H new ATOM 0 HA THR A 76 -1.745 8.646 -4.440 1.00 0.00 H new ATOM 0 HB THR A 76 -4.667 7.976 -4.774 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.975 7.118 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.394 9.494 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.934 10.309 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.675 9.708 -6.311 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.546 10.161 -2.621 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.955 11.026 -1.518 1.00 0.00 C ATOM 1231 C ALA A 77 -3.824 12.160 -2.065 1.00 0.00 C ATOM 1232 O ALA A 77 -3.411 12.864 -2.980 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.691 11.583 -0.839 1.00 0.00 C ATOM 0 H ALA A 77 -1.746 10.502 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.537 10.468 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.978 12.232 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.088 10.758 -0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.110 12.154 -1.563 1.00 0.00 H new ATOM 1239 N ALA A 78 -5.035 12.327 -1.529 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.936 13.380 -2.026 1.00 0.00 C ATOM 1241 C ALA A 78 -5.911 14.631 -1.154 1.00 0.00 C ATOM 1242 O ALA A 78 -6.363 14.624 -0.011 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.371 12.855 -2.102 1.00 0.00 C ATOM 0 H ALA A 78 -5.412 11.763 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.579 13.655 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.028 13.643 -2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.411 12.002 -2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.698 12.545 -1.109 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.412 15.725 -1.738 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.351 17.020 -1.055 1.00 0.00 C ATOM 1251 C ASN A 79 -6.116 18.055 -1.868 1.00 0.00 C ATOM 1252 O ASN A 79 -6.731 17.725 -2.881 1.00 0.00 O ATOM 1253 CB ASN A 79 -3.890 17.473 -0.886 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.056 17.033 -2.085 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -3.133 15.880 -2.509 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.263 17.891 -2.667 1.00 0.00 N ATOM 0 H ASN A 79 -5.042 15.738 -2.689 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.801 16.920 -0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.848 18.557 -0.784 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.475 17.050 0.029 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.707 17.606 -3.473 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.199 18.846 -2.316 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.077 19.307 -1.422 1.00 0.00 N ATOM 1264 CA ARG A 80 -6.770 20.386 -2.133 1.00 0.00 C ATOM 1265 C ARG A 80 -6.620 20.211 -3.644 1.00 0.00 C ATOM 1266 O ARG A 80 -7.515 20.557 -4.415 1.00 0.00 O ATOM 1267 CB ARG A 80 -6.194 21.745 -1.718 1.00 0.00 C ATOM 1268 CG ARG A 80 -6.988 22.869 -2.392 1.00 0.00 C ATOM 1269 CD ARG A 80 -6.414 24.224 -1.971 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.238 25.305 -2.497 1.00 0.00 N ATOM 1271 CZ ARG A 80 -6.920 26.578 -2.276 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -5.876 26.870 -1.551 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -7.647 27.531 -2.793 1.00 0.00 N ATOM 0 H ARG A 80 -5.580 19.602 -0.581 1.00 0.00 H new ATOM 0 HA ARG A 80 -7.828 20.346 -1.873 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.238 21.854 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -5.143 21.808 -2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -6.940 22.763 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -8.039 22.805 -2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.370 24.287 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -5.392 24.324 -2.338 1.00 0.00 H new ATOM 0 HE ARG A 80 -8.071 25.082 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.305 26.123 -1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -5.630 27.845 -1.380 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.458 27.300 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.404 28.507 -2.624 1.00 0.00 H new ATOM 1287 N LEU A 81 -5.475 19.672 -4.052 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.197 19.445 -5.468 1.00 0.00 C ATOM 1289 C LEU A 81 -6.197 18.435 -6.026 1.00 0.00 C ATOM 1290 O LEU A 81 -6.711 18.586 -7.135 1.00 0.00 O ATOM 1291 CB LEU A 81 -3.776 18.881 -5.626 1.00 0.00 C ATOM 1292 CG LEU A 81 -2.735 20.005 -5.549 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -2.890 20.769 -4.234 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -1.337 19.390 -5.621 1.00 0.00 C ATOM 0 H LEU A 81 -4.725 19.384 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.283 20.387 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.583 18.145 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.689 18.363 -6.581 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.881 20.696 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.148 21.566 -4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.889 21.201 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.744 20.086 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.589 20.181 -5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.199 18.702 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.226 18.848 -6.560 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.442 17.394 -5.233 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.356 16.313 -5.602 1.00 0.00 C ATOM 1308 C GLY A 82 -6.633 14.984 -5.485 1.00 0.00 C ATOM 1309 O GLY A 82 -7.117 14.046 -4.853 1.00 0.00 O ATOM 0 H GLY A 82 -6.012 17.275 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.231 16.323 -4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.715 16.457 -6.621 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.457 14.929 -6.088 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.626 13.736 -6.044 1.00 0.00 C ATOM 1315 C TYR A 83 -3.171 14.142 -6.217 1.00 0.00 C ATOM 1316 O TYR A 83 -2.808 14.767 -7.214 1.00 0.00 O ATOM 1317 CB TYR A 83 -5.028 12.764 -7.145 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.530 12.635 -7.188 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -7.291 13.555 -7.915 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -7.158 11.587 -6.506 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.684 13.430 -7.955 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.549 11.460 -6.549 1.00 0.00 C ATOM 1323 CZ TYR A 83 -9.313 12.381 -7.273 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.686 12.255 -7.312 1.00 0.00 O ATOM 0 H TYR A 83 -5.054 15.702 -6.617 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.761 13.239 -5.083 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.656 13.116 -8.107 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.575 11.789 -6.966 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.805 14.361 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.568 10.876 -5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.274 14.143 -8.512 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.034 10.651 -6.023 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.958 11.473 -6.787 1.00 0.00 H new ATOM 1334 N SER A 84 -2.339 13.795 -5.241 1.00 0.00 N ATOM 1335 CA SER A 84 -0.927 14.146 -5.299 1.00 0.00 C ATOM 1336 C SER A 84 -0.151 13.069 -6.031 1.00 0.00 C ATOM 1337 O SER A 84 -0.709 12.045 -6.424 1.00 0.00 O ATOM 1338 CB SER A 84 -0.368 14.314 -3.886 1.00 0.00 C ATOM 1339 OG SER A 84 -0.316 13.049 -3.241 1.00 0.00 O ATOM 0 H SER A 84 -2.616 13.276 -4.408 1.00 0.00 H new ATOM 0 HA SER A 84 -0.824 15.088 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.629 14.753 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.995 14.999 -3.315 1.00 0.00 H new ATOM 0 HG SER A 84 0.435 13.034 -2.611 1.00 0.00 H new ATOM 1345 N GLU A 85 1.139 13.300 -6.208 1.00 0.00 N ATOM 1346 CA GLU A 85 1.981 12.329 -6.891 1.00 0.00 C ATOM 1347 C GLU A 85 1.730 10.945 -6.276 1.00 0.00 C ATOM 1348 O GLU A 85 2.048 10.731 -5.105 1.00 0.00 O ATOM 1349 CB GLU A 85 3.461 12.726 -6.719 1.00 0.00 C ATOM 1350 CG GLU A 85 3.950 13.505 -7.952 1.00 0.00 C ATOM 1351 CD GLU A 85 3.994 12.581 -9.165 1.00 0.00 C ATOM 1352 OE1 GLU A 85 4.867 11.728 -9.204 1.00 0.00 O ATOM 1353 OE2 GLU A 85 3.159 12.741 -10.040 1.00 0.00 O ATOM 0 H GLU A 85 1.623 14.141 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 85 1.745 12.304 -7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.579 13.337 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.070 11.833 -6.579 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.286 14.346 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.941 13.919 -7.763 1.00 0.00 H new ATOM 1360 N PRO A 86 1.155 10.011 -6.996 1.00 0.00 N ATOM 1361 CA PRO A 86 0.867 8.675 -6.425 1.00 0.00 C ATOM 1362 C PRO A 86 2.134 7.859 -6.241 1.00 0.00 C ATOM 1363 O PRO A 86 3.160 8.126 -6.871 1.00 0.00 O ATOM 1364 CB PRO A 86 -0.094 8.038 -7.436 1.00 0.00 C ATOM 1365 CG PRO A 86 0.253 8.674 -8.747 1.00 0.00 C ATOM 1366 CD PRO A 86 0.727 10.095 -8.418 1.00 0.00 C ATOM 0 HA PRO A 86 0.432 8.730 -5.427 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.033 6.956 -7.475 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.133 8.227 -7.167 1.00 0.00 H new ATOM 0 HG2 PRO A 86 1.034 8.111 -9.259 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.611 8.695 -9.411 1.00 0.00 H new ATOM 0 HD2 PRO A 86 1.549 10.401 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.073 10.824 -8.552 1.00 0.00 H new ATOM 1374 N THR A 87 2.054 6.860 -5.375 1.00 0.00 N ATOM 1375 CA THR A 87 3.178 5.990 -5.098 1.00 0.00 C ATOM 1376 C THR A 87 2.877 4.600 -5.605 1.00 0.00 C ATOM 1377 O THR A 87 1.997 3.910 -5.094 1.00 0.00 O ATOM 1378 CB THR A 87 3.472 5.952 -3.583 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.736 6.972 -2.934 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.947 6.187 -3.343 1.00 0.00 C ATOM 0 H THR A 87 1.210 6.633 -4.849 1.00 0.00 H new ATOM 0 HA THR A 87 4.060 6.377 -5.608 1.00 0.00 H new ATOM 0 HB THR A 87 3.186 4.977 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.921 6.947 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.150 6.159 -2.272 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.525 5.410 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.230 7.162 -3.741 1.00 0.00 H new ATOM 1388 N VAL A 88 3.630 4.195 -6.601 1.00 0.00 N ATOM 1389 CA VAL A 88 3.472 2.873 -7.175 1.00 0.00 C ATOM 1390 C VAL A 88 4.501 1.958 -6.548 1.00 0.00 C ATOM 1391 O VAL A 88 5.667 1.952 -6.944 1.00 0.00 O ATOM 1392 CB VAL A 88 3.666 2.922 -8.693 1.00 0.00 C ATOM 1393 CG1 VAL A 88 3.363 1.546 -9.288 1.00 0.00 C ATOM 1394 CG2 VAL A 88 2.713 3.959 -9.293 1.00 0.00 C ATOM 0 H VAL A 88 4.360 4.761 -7.033 1.00 0.00 H new ATOM 0 HA VAL A 88 2.467 2.501 -6.976 1.00 0.00 H new ATOM 0 HB VAL A 88 4.695 3.198 -8.922 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.500 1.579 -10.369 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.039 0.807 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.333 1.270 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.849 3.996 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.684 3.681 -9.066 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.927 4.939 -8.867 1.00 0.00 H new ATOM 1404 N TYR A 89 4.075 1.195 -5.550 1.00 0.00 N ATOM 1405 CA TYR A 89 4.981 0.283 -4.848 1.00 0.00 C ATOM 1406 C TYR A 89 4.731 -1.151 -5.316 1.00 0.00 C ATOM 1407 O TYR A 89 3.583 -1.552 -5.506 1.00 0.00 O ATOM 1408 CB TYR A 89 4.762 0.399 -3.329 1.00 0.00 C ATOM 1409 CG TYR A 89 5.781 -0.443 -2.577 1.00 0.00 C ATOM 1410 CD1 TYR A 89 7.158 -0.212 -2.748 1.00 0.00 C ATOM 1411 CD2 TYR A 89 5.350 -1.455 -1.705 1.00 0.00 C ATOM 1412 CE1 TYR A 89 8.091 -0.990 -2.052 1.00 0.00 C ATOM 1413 CE2 TYR A 89 6.286 -2.231 -1.012 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.656 -2.000 -1.187 1.00 0.00 C ATOM 1415 OH TYR A 89 8.577 -2.766 -0.502 1.00 0.00 O ATOM 0 H TYR A 89 3.115 1.186 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 89 6.013 0.551 -5.073 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.846 1.442 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.754 0.072 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.496 0.566 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 89 4.294 -1.635 -1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.148 -0.810 -2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.951 -3.009 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 89 8.108 -3.421 0.056 1.00 0.00 H new ATOM 1425 N GLU A 90 5.804 -1.920 -5.529 1.00 0.00 N ATOM 1426 CA GLU A 90 5.668 -3.303 -5.998 1.00 0.00 C ATOM 1427 C GLU A 90 6.584 -4.247 -5.218 1.00 0.00 C ATOM 1428 O GLU A 90 7.760 -3.959 -4.999 1.00 0.00 O ATOM 1429 CB GLU A 90 5.998 -3.374 -7.498 1.00 0.00 C ATOM 1430 CG GLU A 90 7.107 -2.371 -7.826 1.00 0.00 C ATOM 1431 CD GLU A 90 7.567 -2.567 -9.265 1.00 0.00 C ATOM 1432 OE1 GLU A 90 7.618 -3.706 -9.698 1.00 0.00 O ATOM 1433 OE2 GLU A 90 7.858 -1.575 -9.914 1.00 0.00 O ATOM 0 H GLU A 90 6.766 -1.613 -5.386 1.00 0.00 H new ATOM 0 HA GLU A 90 4.638 -3.620 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.315 -4.382 -7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.108 -3.154 -8.088 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.743 -1.353 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.946 -2.506 -7.144 1.00 0.00 H new ATOM 1440 N PHE A 91 6.027 -5.381 -4.811 1.00 0.00 N ATOM 1441 CA PHE A 91 6.788 -6.377 -4.063 1.00 0.00 C ATOM 1442 C PHE A 91 5.984 -7.658 -3.908 1.00 0.00 C ATOM 1443 O PHE A 91 4.832 -7.627 -3.476 1.00 0.00 O ATOM 1444 CB PHE A 91 7.148 -5.818 -2.678 1.00 0.00 C ATOM 1445 CG PHE A 91 5.915 -5.804 -1.798 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.967 -4.789 -1.941 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.726 -6.815 -0.841 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.825 -4.779 -1.132 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.582 -6.802 -0.033 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.633 -5.786 -0.178 1.00 0.00 C ATOM 0 H PHE A 91 5.054 -5.634 -4.985 1.00 0.00 H new ATOM 0 HA PHE A 91 7.701 -6.605 -4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.927 -6.428 -2.220 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.549 -4.809 -2.775 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.115 -4.012 -2.676 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.460 -7.599 -0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.091 -3.994 -1.244 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.433 -7.578 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.751 -5.778 0.446 1.00 0.00 H new ATOM 1460 N SER A 92 6.594 -8.789 -4.243 1.00 0.00 N ATOM 1461 CA SER A 92 5.909 -10.065 -4.110 1.00 0.00 C ATOM 1462 C SER A 92 5.998 -10.573 -2.674 1.00 0.00 C ATOM 1463 O SER A 92 6.788 -10.071 -1.876 1.00 0.00 O ATOM 1464 CB SER A 92 6.486 -11.099 -5.072 1.00 0.00 C ATOM 1465 OG SER A 92 7.906 -11.092 -4.994 1.00 0.00 O ATOM 0 H SER A 92 7.547 -8.848 -4.603 1.00 0.00 H new ATOM 0 HA SER A 92 4.860 -9.911 -4.363 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.104 -12.090 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.168 -10.878 -6.091 1.00 0.00 H new ATOM 0 HG SER A 92 8.271 -11.759 -5.612 1.00 0.00 H new ATOM 1471 N MET A 93 5.168 -11.567 -2.349 1.00 0.00 N ATOM 1472 CA MET A 93 5.144 -12.130 -0.999 1.00 0.00 C ATOM 1473 C MET A 93 6.121 -13.308 -0.883 1.00 0.00 C ATOM 1474 O MET A 93 6.298 -14.060 -1.842 1.00 0.00 O ATOM 1475 CB MET A 93 3.730 -12.622 -0.675 1.00 0.00 C ATOM 1476 CG MET A 93 2.761 -11.435 -0.667 1.00 0.00 C ATOM 1477 SD MET A 93 3.081 -10.406 0.788 1.00 0.00 S ATOM 1478 CE MET A 93 2.487 -11.558 2.059 1.00 0.00 C ATOM 0 H MET A 93 4.508 -11.996 -2.998 1.00 0.00 H new ATOM 0 HA MET A 93 5.443 -11.352 -0.296 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.412 -13.358 -1.413 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.720 -13.119 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.883 -10.846 -1.576 1.00 0.00 H new ATOM 0 HG3 MET A 93 1.731 -11.792 -0.654 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.837 -11.028 2.755 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.929 -12.366 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.337 -11.972 2.600 1.00 0.00 H new ATOM 1488 N PRO A 94 6.739 -13.502 0.264 1.00 0.00 N ATOM 1489 CA PRO A 94 7.687 -14.640 0.481 1.00 0.00 C ATOM 1490 C PRO A 94 6.936 -15.952 0.693 1.00 0.00 C ATOM 1491 O PRO A 94 5.740 -15.939 0.961 1.00 0.00 O ATOM 1492 CB PRO A 94 8.440 -14.228 1.755 1.00 0.00 C ATOM 1493 CG PRO A 94 7.458 -13.408 2.522 1.00 0.00 C ATOM 1494 CD PRO A 94 6.622 -12.664 1.480 1.00 0.00 C ATOM 0 HA PRO A 94 8.344 -14.815 -0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 94 8.761 -15.100 2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.336 -13.655 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.828 -14.039 3.149 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.968 -12.708 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.584 -12.564 1.798 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.001 -11.657 1.309 1.00 0.00 H new ATOM 1502 N PRO A 95 7.608 -17.071 0.592 1.00 0.00 N ATOM 1503 CA PRO A 95 6.973 -18.409 0.809 1.00 0.00 C ATOM 1504 C PRO A 95 6.489 -18.574 2.255 1.00 0.00 C ATOM 1505 O PRO A 95 6.933 -17.859 3.154 1.00 0.00 O ATOM 1506 CB PRO A 95 8.090 -19.412 0.462 1.00 0.00 C ATOM 1507 CG PRO A 95 9.366 -18.646 0.610 1.00 0.00 C ATOM 1508 CD PRO A 95 9.039 -17.200 0.250 1.00 0.00 C ATOM 0 HA PRO A 95 6.082 -18.554 0.197 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.068 -20.273 1.130 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.975 -19.793 -0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.747 -18.717 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.138 -19.046 -0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.651 -16.498 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.218 -17.000 -0.806 1.00 0.00 H new ATOM 1516 N LYS A 96 5.569 -19.512 2.467 1.00 0.00 N ATOM 1517 CA LYS A 96 5.020 -19.758 3.801 1.00 0.00 C ATOM 1518 C LYS A 96 6.127 -19.680 4.867 1.00 0.00 C ATOM 1519 O LYS A 96 7.183 -20.288 4.696 1.00 0.00 O ATOM 1520 CB LYS A 96 4.376 -21.153 3.839 1.00 0.00 C ATOM 1521 CG LYS A 96 3.740 -21.442 5.219 1.00 0.00 C ATOM 1522 CD LYS A 96 2.310 -20.866 5.287 1.00 0.00 C ATOM 1523 CE LYS A 96 1.305 -21.895 4.754 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.241 -23.052 5.691 1.00 0.00 N ATOM 0 H LYS A 96 5.188 -20.113 1.736 1.00 0.00 H new ATOM 0 HA LYS A 96 4.272 -18.995 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.614 -21.225 3.063 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.129 -21.909 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.714 -22.517 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.353 -21.004 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.063 -20.603 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.250 -19.949 4.701 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.320 -21.440 4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.604 -22.232 3.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.290 -23.472 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.944 -23.765 5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.443 -22.727 6.658 1.00 0.00 H new ATOM 1538 N PRO A 97 5.913 -18.975 5.961 1.00 0.00 N ATOM 1539 CA PRO A 97 6.938 -18.873 7.043 1.00 0.00 C ATOM 1540 C PRO A 97 7.093 -20.170 7.834 1.00 0.00 C ATOM 1541 O PRO A 97 6.149 -20.642 8.466 1.00 0.00 O ATOM 1542 CB PRO A 97 6.407 -17.752 7.948 1.00 0.00 C ATOM 1543 CG PRO A 97 4.929 -17.742 7.736 1.00 0.00 C ATOM 1544 CD PRO A 97 4.703 -18.186 6.292 1.00 0.00 C ATOM 0 HA PRO A 97 7.929 -18.673 6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.653 -17.940 8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.849 -16.791 7.684 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.431 -18.416 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.518 -16.747 7.906 1.00 0.00 H new ATOM 0 HD2 PRO A 97 3.798 -18.786 6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 97 4.590 -17.331 5.625 1.00 0.00 H new ATOM 1552 N ASN A 98 8.310 -20.710 7.832 1.00 0.00 N ATOM 1553 CA ASN A 98 8.602 -21.918 8.595 1.00 0.00 C ATOM 1554 C ASN A 98 9.088 -21.488 9.971 1.00 0.00 C ATOM 1555 O ASN A 98 8.994 -22.223 10.952 1.00 0.00 O ATOM 1556 CB ASN A 98 9.670 -22.756 7.886 1.00 0.00 C ATOM 1557 CG ASN A 98 9.766 -24.145 8.512 1.00 0.00 C ATOM 1558 OD1 ASN A 98 10.702 -24.890 8.221 1.00 0.00 O ATOM 1559 ND2 ASN A 98 8.860 -24.539 9.366 1.00 0.00 N ATOM 0 H ASN A 98 9.103 -20.332 7.314 1.00 0.00 H new ATOM 0 HA ASN A 98 7.708 -22.535 8.684 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.427 -22.844 6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 98 10.636 -22.255 7.951 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.928 -25.463 9.792 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.084 -23.922 9.608 1.00 0.00 H new ATOM 1566 N ILE A 99 9.572 -20.250 10.007 1.00 0.00 N ATOM 1567 CA ILE A 99 10.055 -19.611 11.214 1.00 0.00 C ATOM 1568 C ILE A 99 9.635 -18.151 11.141 1.00 0.00 C ATOM 1569 O ILE A 99 8.735 -17.810 10.373 1.00 0.00 O ATOM 1570 CB ILE A 99 11.577 -19.733 11.309 1.00 0.00 C ATOM 1571 CG1 ILE A 99 12.217 -19.234 10.009 1.00 0.00 C ATOM 1572 CG2 ILE A 99 11.953 -21.200 11.530 1.00 0.00 C ATOM 1573 CD1 ILE A 99 13.735 -19.165 10.181 1.00 0.00 C ATOM 0 H ILE A 99 9.638 -19.657 9.180 1.00 0.00 H new ATOM 0 HA ILE A 99 9.638 -20.087 12.101 1.00 0.00 H new ATOM 0 HB ILE A 99 11.938 -19.131 12.143 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.964 -19.903 9.186 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.824 -18.250 9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.037 -21.291 11.598 1.00 0.00 H new ATOM 0 HG22 ILE A 99 11.500 -21.556 12.455 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.590 -21.798 10.694 1.00 0.00 H new ATOM 0 HD11 ILE A 99 14.190 -18.810 9.256 1.00 0.00 H new ATOM 0 HD12 ILE A 99 13.978 -18.479 10.992 1.00 0.00 H new ATOM 0 HD13 ILE A 99 14.120 -20.157 10.417 1.00 0.00 H new ATOM 1585 N ILE A 100 10.277 -17.282 11.907 1.00 0.00 N ATOM 1586 CA ILE A 100 9.925 -15.859 11.865 1.00 0.00 C ATOM 1587 C ILE A 100 11.142 -14.970 12.103 1.00 0.00 C ATOM 1588 O ILE A 100 11.971 -15.234 12.974 1.00 0.00 O ATOM 1589 CB ILE A 100 8.822 -15.552 12.881 1.00 0.00 C ATOM 1590 CG1 ILE A 100 9.293 -15.922 14.289 1.00 0.00 C ATOM 1591 CG2 ILE A 100 7.576 -16.368 12.532 1.00 0.00 C ATOM 1592 CD1 ILE A 100 8.248 -15.472 15.313 1.00 0.00 C ATOM 0 H ILE A 100 11.028 -17.523 12.553 1.00 0.00 H new ATOM 0 HA ILE A 100 9.551 -15.638 10.865 1.00 0.00 H new ATOM 0 HB ILE A 100 8.589 -14.488 12.850 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.448 -16.999 14.361 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.251 -15.448 14.500 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.787 -16.153 13.253 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.236 -16.102 11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.816 -17.431 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.584 -15.736 16.316 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.116 -14.392 15.247 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.299 -15.967 15.106 1.00 0.00 H new ATOM 1604 N LYS A 101 11.223 -13.912 11.307 1.00 0.00 N ATOM 1605 CA LYS A 101 12.315 -12.948 11.389 1.00 0.00 C ATOM 1606 C LYS A 101 12.079 -11.821 10.388 1.00 0.00 C ATOM 1607 O LYS A 101 12.231 -10.643 10.707 1.00 0.00 O ATOM 1608 CB LYS A 101 13.652 -13.623 11.077 1.00 0.00 C ATOM 1609 CG LYS A 101 14.781 -12.633 11.366 1.00 0.00 C ATOM 1610 CD LYS A 101 16.138 -13.320 11.188 1.00 0.00 C ATOM 1611 CE LYS A 101 16.447 -13.513 9.698 1.00 0.00 C ATOM 1612 NZ LYS A 101 17.895 -13.819 9.530 1.00 0.00 N ATOM 0 H LYS A 101 10.534 -13.697 10.586 1.00 0.00 H new ATOM 0 HA LYS A 101 12.347 -12.546 12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.772 -14.521 11.683 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.682 -13.937 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.706 -11.777 10.695 1.00 0.00 H new ATOM 0 HG3 LYS A 101 14.689 -12.250 12.382 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.920 -12.721 11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.133 -14.286 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.843 -14.324 9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 101 16.187 -12.613 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 18.107 -13.950 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 18.462 -13.031 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 18.128 -14.690 10.049 1.00 0.00 H new ATOM 1626 N ASP A 102 11.702 -12.205 9.172 1.00 0.00 N ATOM 1627 CA ASP A 102 11.436 -11.239 8.112 1.00 0.00 C ATOM 1628 C ASP A 102 10.685 -11.906 6.964 1.00 0.00 C ATOM 1629 O ASP A 102 9.623 -12.448 7.216 1.00 0.00 O ATOM 1630 CB ASP A 102 12.746 -10.647 7.589 1.00 0.00 C ATOM 1631 CG ASP A 102 12.449 -9.443 6.700 1.00 0.00 C ATOM 1632 OD1 ASP A 102 11.433 -8.806 6.923 1.00 0.00 O ATOM 1633 OD2 ASP A 102 13.246 -9.170 5.817 1.00 0.00 O ATOM 0 H ASP A 102 11.574 -13.179 8.897 1.00 0.00 H new ATOM 0 HA ASP A 102 10.822 -10.439 8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 102 13.379 -10.347 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.297 -11.400 7.025 1.00 0.00 H new TER 1638 ASP A 102