USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 682 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 45 LYS NZ :NH3+ -161:sc= 1.26 (180deg=1.11) USER MOD Set 1.2: A 59 MET CE :methyl 155:sc= -0.239 (180deg=-1.36) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 1.25 (180deg=-0.645) USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.18) USER MOD Single : A 29 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.24) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -117:sc= 1.26 USER MOD Single : A 35 HIS : no HD1:sc= -0.171 X(o=-0.17,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 170:sc= -0.0264 (180deg=-0.244) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 156:sc= 1.14 (180deg=0.639) USER MOD Single : A 48 LYS NZ :NH3+ 161:sc= 1.25 (180deg=1.17) USER MOD Single : A 50 SER OG : rot 91:sc= 1.21 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -115:sc= -1! USER MOD Single : A 53 GLN : amide:sc= -0.275 K(o=-0.28,f=-3.1!) USER MOD Single : A 55 GLN : amide:sc= -0.0731 X(o=-0.073,f=-0.078) USER MOD Single : A 60 ASN : amide:sc= -0.133 K(o=-0.13,f=-1.1!) USER MOD Single : A 61 SER OG : rot -113:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= -0.218 K(o=-0.22,f=-1.5!) USER MOD Single : A 74 ASN : amide:sc= -0.0563 X(o=-0.056,f=-0.14) USER MOD Single : A 75 HIS : no HD1:sc= 0.298 K(o=0.3,f=-5.7!) USER MOD Single : A 76 THR OG1 : rot -59:sc= 1.05 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 1.09 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.149 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 199 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.614 -6.992 -0.620 1.00 10.00 N ATOM 2 CA TYR A 21 12.228 -6.608 -0.854 1.00 10.00 C ATOM 3 C TYR A 21 11.397 -6.763 0.412 1.00 10.00 C ATOM 4 O TYR A 21 11.609 -7.689 1.198 1.00 10.00 O ATOM 5 CB TYR A 21 11.620 -7.465 -1.966 1.00 10.00 C ATOM 6 CG TYR A 21 11.859 -6.933 -3.362 1.00 10.00 C ATOM 7 CD1 TYR A 21 10.905 -6.145 -3.995 1.00 10.00 C ATOM 8 CD2 TYR A 21 13.021 -7.240 -4.052 1.00 10.00 C ATOM 9 CE1 TYR A 21 11.107 -5.675 -5.278 1.00 10.00 C ATOM 10 CE2 TYR A 21 13.233 -6.769 -5.334 1.00 10.00 C ATOM 11 CZ TYR A 21 12.271 -5.992 -5.943 1.00 10.00 C ATOM 12 OH TYR A 21 12.471 -5.534 -7.227 1.00 10.00 O ATOM 0 HA TYR A 21 12.219 -5.560 -1.154 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.031 -8.472 -1.898 1.00 10.00 H new ATOM 0 HB3 TYR A 21 10.546 -7.547 -1.800 1.00 10.00 H new ATOM 0 HD1 TYR A 21 9.991 -5.896 -3.476 1.00 10.00 H new ATOM 0 HD2 TYR A 21 13.772 -7.857 -3.581 1.00 10.00 H new ATOM 0 HE1 TYR A 21 10.357 -5.063 -5.757 1.00 10.00 H new ATOM 0 HE2 TYR A 21 14.148 -7.009 -5.856 1.00 10.00 H new ATOM 0 HH TYR A 21 13.341 -5.845 -7.553 1.00 10.00 H new ATOM 22 N ILE A 22 10.459 -5.851 0.600 1.00 10.00 N ATOM 23 CA ILE A 22 9.569 -5.881 1.751 1.00 10.00 C ATOM 24 C ILE A 22 8.183 -6.329 1.302 1.00 10.00 C ATOM 25 O ILE A 22 7.501 -5.606 0.573 1.00 10.00 O ATOM 26 CB ILE A 22 9.458 -4.493 2.424 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.845 -3.859 2.603 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.741 -4.601 3.764 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.775 -4.647 3.502 1.00 10.00 C ATOM 0 H ILE A 22 10.292 -5.072 -0.037 1.00 10.00 H new ATOM 0 HA ILE A 22 9.982 -6.579 2.479 1.00 10.00 H new ATOM 0 HB ILE A 22 8.871 -3.847 1.771 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.311 -3.749 1.624 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.724 -2.856 3.013 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.673 -3.614 4.221 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.738 -4.999 3.609 1.00 10.00 H new ATOM 0 HG23 ILE A 22 9.298 -5.268 4.422 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.733 -4.132 3.576 1.00 10.00 H new ATOM 0 HD12 ILE A 22 11.333 -4.736 4.494 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.929 -5.642 3.084 1.00 10.00 H new ATOM 41 N LYS A 23 7.774 -7.518 1.716 1.00 10.00 N ATOM 42 CA LYS A 23 6.474 -8.042 1.329 1.00 10.00 C ATOM 43 C LYS A 23 5.426 -7.699 2.375 1.00 10.00 C ATOM 44 O LYS A 23 5.468 -8.199 3.501 1.00 10.00 O ATOM 45 CB LYS A 23 6.540 -9.558 1.117 1.00 10.00 C ATOM 46 CG LYS A 23 5.281 -10.145 0.497 1.00 10.00 C ATOM 47 CD LYS A 23 5.530 -11.534 -0.075 1.00 10.00 C ATOM 48 CE LYS A 23 5.032 -12.631 0.854 1.00 10.00 C ATOM 49 NZ LYS A 23 5.836 -12.726 2.101 1.00 10.00 N ATOM 0 H LYS A 23 8.320 -8.135 2.317 1.00 10.00 H new ATOM 0 HA LYS A 23 6.188 -7.576 0.386 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.391 -9.790 0.477 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.722 -10.042 2.076 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.495 -10.197 1.250 1.00 10.00 H new ATOM 0 HG3 LYS A 23 4.923 -9.485 -0.293 1.00 10.00 H new ATOM 0 HD2 LYS A 23 5.032 -11.623 -1.041 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.597 -11.667 -0.253 1.00 10.00 H new ATOM 0 HE2 LYS A 23 3.990 -12.441 1.110 1.00 10.00 H new ATOM 0 HE3 LYS A 23 5.062 -13.587 0.332 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.862 -13.715 2.423 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.805 -12.397 1.915 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 5.404 -12.133 2.838 1.00 10.00 H new ATOM 63 N LEU A 24 4.500 -6.832 1.998 1.00 10.00 N ATOM 64 CA LEU A 24 3.434 -6.411 2.890 1.00 10.00 C ATOM 65 C LEU A 24 2.199 -7.279 2.680 1.00 10.00 C ATOM 66 O LEU A 24 1.985 -7.816 1.589 1.00 10.00 O ATOM 67 CB LEU A 24 3.091 -4.939 2.644 1.00 10.00 C ATOM 68 CG LEU A 24 4.276 -3.972 2.726 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.902 -2.619 2.145 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.745 -3.823 4.165 1.00 10.00 C ATOM 0 H LEU A 24 4.466 -6.404 1.073 1.00 10.00 H new ATOM 0 HA LEU A 24 3.773 -6.526 3.920 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.636 -4.848 1.658 1.00 10.00 H new ATOM 0 HB3 LEU A 24 2.340 -4.631 3.371 1.00 10.00 H new ATOM 0 HG LEU A 24 5.096 -4.384 2.138 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.756 -1.945 2.212 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.615 -2.738 1.100 1.00 10.00 H new ATOM 0 HD13 LEU A 24 3.066 -2.201 2.705 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.587 -3.132 4.203 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.929 -3.435 4.775 1.00 10.00 H new ATOM 0 HD23 LEU A 24 5.055 -4.795 4.549 1.00 10.00 H new ATOM 82 N LYS A 25 1.392 -7.412 3.719 1.00 10.00 N ATOM 83 CA LYS A 25 0.184 -8.216 3.652 1.00 10.00 C ATOM 84 C LYS A 25 -1.025 -7.339 3.361 1.00 10.00 C ATOM 85 O LYS A 25 -1.496 -6.599 4.228 1.00 10.00 O ATOM 86 CB LYS A 25 -0.029 -8.978 4.960 1.00 10.00 C ATOM 87 CG LYS A 25 0.984 -10.084 5.191 1.00 10.00 C ATOM 88 CD LYS A 25 0.308 -11.393 5.567 1.00 10.00 C ATOM 89 CE LYS A 25 -0.462 -11.981 4.394 1.00 10.00 C ATOM 90 NZ LYS A 25 -1.094 -13.283 4.732 1.00 10.00 N ATOM 0 H LYS A 25 1.553 -6.970 4.624 1.00 10.00 H new ATOM 0 HA LYS A 25 0.301 -8.936 2.842 1.00 10.00 H new ATOM 0 HB2 LYS A 25 0.017 -8.275 5.792 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -1.031 -9.408 4.961 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.579 -10.227 4.289 1.00 10.00 H new ATOM 0 HG3 LYS A 25 1.672 -9.788 5.983 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.059 -12.107 5.905 1.00 10.00 H new ATOM 0 HD3 LYS A 25 -0.372 -11.226 6.402 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -1.232 -11.277 4.078 1.00 10.00 H new ATOM 0 HE3 LYS A 25 0.214 -12.116 3.549 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -1.309 -13.802 3.857 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 -0.442 -13.844 5.317 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -1.974 -13.115 5.260 1.00 10.00 H new ATOM 104 N VAL A 26 -1.514 -7.420 2.136 1.00 10.00 N ATOM 105 CA VAL A 26 -2.668 -6.646 1.723 1.00 10.00 C ATOM 106 C VAL A 26 -3.898 -7.547 1.663 1.00 10.00 C ATOM 107 O VAL A 26 -4.249 -8.079 0.606 1.00 10.00 O ATOM 108 CB VAL A 26 -2.433 -5.976 0.348 1.00 10.00 C ATOM 109 CG1 VAL A 26 -3.617 -5.112 -0.052 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.155 -5.152 0.368 1.00 10.00 C ATOM 0 H VAL A 26 -1.126 -8.018 1.407 1.00 10.00 H new ATOM 0 HA VAL A 26 -2.830 -5.857 2.457 1.00 10.00 H new ATOM 0 HB VAL A 26 -2.327 -6.766 -0.396 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -3.422 -4.655 -1.022 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -4.513 -5.729 -0.115 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -3.766 -4.331 0.694 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.006 -4.688 -0.607 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.234 -4.377 1.130 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -0.308 -5.800 0.595 1.00 10.00 H new ATOM 120 N ILE A 27 -4.530 -7.741 2.811 1.00 10.00 N ATOM 121 CA ILE A 27 -5.712 -8.581 2.897 1.00 10.00 C ATOM 122 C ILE A 27 -6.967 -7.745 2.704 1.00 10.00 C ATOM 123 O ILE A 27 -7.270 -6.864 3.510 1.00 10.00 O ATOM 124 CB ILE A 27 -5.793 -9.314 4.255 1.00 10.00 C ATOM 125 CG1 ILE A 27 -4.512 -10.113 4.519 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.009 -10.231 4.300 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.206 -11.154 3.462 1.00 10.00 C ATOM 0 H ILE A 27 -4.242 -7.326 3.697 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.639 -9.328 2.106 1.00 10.00 H new ATOM 0 HB ILE A 27 -5.897 -8.563 5.038 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -3.672 -9.421 4.587 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -4.597 -10.607 5.487 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.047 -10.737 5.264 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -7.915 -9.641 4.164 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -6.936 -10.972 3.504 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.285 -11.676 3.721 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.026 -11.870 3.408 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.087 -10.666 2.495 1.00 10.00 H new ATOM 139 N GLY A 28 -7.689 -8.017 1.631 1.00 10.00 N ATOM 140 CA GLY A 28 -8.904 -7.279 1.352 1.00 10.00 C ATOM 141 C GLY A 28 -10.055 -7.695 2.244 1.00 10.00 C ATOM 142 O GLY A 28 -10.036 -8.777 2.836 1.00 10.00 O ATOM 0 H GLY A 28 -7.457 -8.736 0.946 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -8.715 -6.213 1.482 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.184 -7.429 0.309 1.00 10.00 H new ATOM 146 N GLN A 29 -11.061 -6.831 2.331 1.00 10.00 N ATOM 147 CA GLN A 29 -12.249 -7.085 3.141 1.00 10.00 C ATOM 148 C GLN A 29 -12.966 -8.346 2.661 1.00 10.00 C ATOM 149 O GLN A 29 -13.658 -9.016 3.426 1.00 10.00 O ATOM 150 CB GLN A 29 -13.193 -5.880 3.055 1.00 10.00 C ATOM 151 CG GLN A 29 -14.379 -5.948 4.001 1.00 10.00 C ATOM 152 CD GLN A 29 -13.972 -5.821 5.454 1.00 10.00 C ATOM 153 OE1 GLN A 29 -13.883 -4.720 5.988 1.00 10.00 O ATOM 154 NE2 GLN A 29 -13.728 -6.947 6.101 1.00 10.00 N ATOM 0 H GLN A 29 -11.077 -5.936 1.843 1.00 10.00 H new ATOM 0 HA GLN A 29 -11.945 -7.236 4.177 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -12.626 -4.973 3.266 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -13.562 -5.795 2.033 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.083 -5.153 3.754 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -14.902 -6.893 3.855 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.814 -7.841 5.618 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -13.454 -6.922 7.083 1.00 10.00 H new ATOM 163 N ASP A 30 -12.757 -8.672 1.392 1.00 10.00 N ATOM 164 CA ASP A 30 -13.371 -9.834 0.762 1.00 10.00 C ATOM 165 C ASP A 30 -12.531 -11.094 0.969 1.00 10.00 C ATOM 166 O ASP A 30 -12.774 -12.120 0.331 1.00 10.00 O ATOM 167 CB ASP A 30 -13.549 -9.573 -0.735 1.00 10.00 C ATOM 168 CG ASP A 30 -12.227 -9.455 -1.475 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.323 -8.734 -0.994 1.00 10.00 O ATOM 170 OD2 ASP A 30 -12.090 -10.073 -2.551 1.00 10.00 O ATOM 0 H ASP A 30 -12.154 -8.136 0.768 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.342 -9.997 1.229 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.134 -10.382 -1.173 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.120 -8.655 -0.873 1.00 10.00 H new ATOM 175 N SER A 31 -11.541 -10.999 1.853 1.00 10.00 N ATOM 176 CA SER A 31 -10.660 -12.119 2.172 1.00 10.00 C ATOM 177 C SER A 31 -9.819 -12.529 0.959 1.00 10.00 C ATOM 178 O SER A 31 -9.895 -13.658 0.477 1.00 10.00 O ATOM 179 CB SER A 31 -11.472 -13.305 2.709 1.00 10.00 C ATOM 180 OG SER A 31 -12.387 -12.881 3.712 1.00 10.00 O ATOM 0 H SER A 31 -11.327 -10.145 2.368 1.00 10.00 H new ATOM 0 HA SER A 31 -9.971 -11.796 2.952 1.00 10.00 H new ATOM 0 HB2 SER A 31 -12.016 -13.778 1.892 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.798 -14.056 3.120 1.00 10.00 H new ATOM 0 HG SER A 31 -12.895 -13.653 4.039 1.00 10.00 H new ATOM 186 N SER A 32 -9.033 -11.583 0.472 1.00 10.00 N ATOM 187 CA SER A 32 -8.146 -11.801 -0.664 1.00 10.00 C ATOM 188 C SER A 32 -6.697 -11.665 -0.199 1.00 10.00 C ATOM 189 O SER A 32 -6.381 -10.775 0.594 1.00 10.00 O ATOM 190 CB SER A 32 -8.454 -10.769 -1.750 1.00 10.00 C ATOM 191 OG SER A 32 -8.775 -9.513 -1.174 1.00 10.00 O ATOM 0 H SER A 32 -8.990 -10.638 0.853 1.00 10.00 H new ATOM 0 HA SER A 32 -8.298 -12.800 -1.073 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.594 -10.662 -2.411 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.286 -11.116 -2.363 1.00 10.00 H new ATOM 0 HG SER A 32 -9.699 -9.277 -1.398 1.00 10.00 H new ATOM 197 N GLU A 33 -5.824 -12.549 -0.663 1.00 10.00 N ATOM 198 CA GLU A 33 -4.424 -12.500 -0.268 1.00 10.00 C ATOM 199 C GLU A 33 -3.581 -11.838 -1.350 1.00 10.00 C ATOM 200 O GLU A 33 -3.222 -12.459 -2.353 1.00 10.00 O ATOM 201 CB GLU A 33 -3.899 -13.902 0.038 1.00 10.00 C ATOM 202 CG GLU A 33 -4.434 -14.475 1.342 1.00 10.00 C ATOM 203 CD GLU A 33 -3.336 -14.905 2.295 1.00 10.00 C ATOM 204 OE1 GLU A 33 -2.352 -14.156 2.466 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.460 -15.992 2.892 1.00 10.00 O ATOM 0 H GLU A 33 -6.059 -13.303 -1.309 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.349 -11.900 0.639 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.167 -14.569 -0.781 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -2.810 -13.873 0.082 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -5.060 -13.728 1.831 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -5.072 -15.331 1.122 1.00 10.00 H new ATOM 212 N ILE A 34 -3.289 -10.563 -1.151 1.00 10.00 N ATOM 213 CA ILE A 34 -2.493 -9.801 -2.097 1.00 10.00 C ATOM 214 C ILE A 34 -1.108 -9.522 -1.518 1.00 10.00 C ATOM 215 O ILE A 34 -0.975 -8.927 -0.446 1.00 10.00 O ATOM 216 CB ILE A 34 -3.182 -8.467 -2.476 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.618 -8.716 -2.958 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.380 -7.730 -3.543 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.708 -9.570 -4.207 1.00 10.00 C ATOM 0 H ILE A 34 -3.594 -10.031 -0.336 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.394 -10.400 -3.003 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.223 -7.841 -1.585 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.180 -9.199 -2.159 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.098 -7.756 -3.151 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.882 -6.796 -3.795 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.381 -7.515 -3.163 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.303 -8.352 -4.435 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.754 -9.700 -4.484 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.175 -9.080 -5.022 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.259 -10.545 -4.014 1.00 10.00 H new ATOM 231 N HIS A 35 -0.085 -9.968 -2.225 1.00 10.00 N ATOM 232 CA HIS A 35 1.293 -9.787 -1.799 1.00 10.00 C ATOM 233 C HIS A 35 1.925 -8.602 -2.511 1.00 10.00 C ATOM 234 O HIS A 35 2.276 -8.688 -3.690 1.00 10.00 O ATOM 235 CB HIS A 35 2.122 -11.041 -2.093 1.00 10.00 C ATOM 236 CG HIS A 35 1.736 -12.240 -1.282 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.634 -13.488 -1.856 1.00 10.00 N ATOM 238 CD2 HIS A 35 1.467 -12.338 0.042 1.00 10.00 C ATOM 239 CE1 HIS A 35 1.305 -14.311 -0.872 1.00 10.00 C ATOM 240 NE2 HIS A 35 1.193 -13.656 0.292 1.00 10.00 N ATOM 0 H HIS A 35 -0.185 -10.465 -3.110 1.00 10.00 H new ATOM 0 HA HIS A 35 1.283 -9.603 -0.725 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.026 -11.286 -3.151 1.00 10.00 H new ATOM 0 HB3 HIS A 35 3.173 -10.818 -1.912 1.00 10.00 H new ATOM 0 HD2 HIS A 35 1.468 -11.532 0.761 1.00 10.00 H new ATOM 0 HE1 HIS A 35 1.147 -15.373 -0.992 1.00 10.00 H new ATOM 0 HE2 HIS A 35 0.949 -14.063 1.195 1.00 10.00 H new ATOM 248 N PHE A 36 2.067 -7.496 -1.802 1.00 10.00 N ATOM 249 CA PHE A 36 2.675 -6.310 -2.376 1.00 10.00 C ATOM 250 C PHE A 36 4.102 -6.176 -1.864 1.00 10.00 C ATOM 251 O PHE A 36 4.324 -5.887 -0.687 1.00 10.00 O ATOM 252 CB PHE A 36 1.860 -5.059 -2.030 1.00 10.00 C ATOM 253 CG PHE A 36 1.880 -4.003 -3.102 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.043 -3.733 -3.803 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.732 -3.289 -3.408 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.062 -2.771 -4.791 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.745 -2.321 -4.395 1.00 10.00 C ATOM 258 CZ PHE A 36 1.912 -2.063 -5.090 1.00 10.00 C ATOM 0 H PHE A 36 1.771 -7.395 -0.831 1.00 10.00 H new ATOM 0 HA PHE A 36 2.690 -6.409 -3.461 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.827 -5.351 -1.841 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.245 -4.631 -1.105 1.00 10.00 H new ATOM 0 HD1 PHE A 36 3.945 -4.281 -3.574 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.182 -3.491 -2.870 1.00 10.00 H new ATOM 0 HE1 PHE A 36 3.975 -2.570 -5.332 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -0.154 -1.768 -4.623 1.00 10.00 H new ATOM 0 HZ PHE A 36 1.926 -1.310 -5.865 1.00 10.00 H new ATOM 268 N LYS A 37 5.064 -6.410 -2.745 1.00 10.00 N ATOM 269 CA LYS A 37 6.465 -6.315 -2.372 1.00 10.00 C ATOM 270 C LYS A 37 7.048 -4.979 -2.808 1.00 10.00 C ATOM 271 O LYS A 37 7.061 -4.639 -3.994 1.00 10.00 O ATOM 272 CB LYS A 37 7.273 -7.487 -2.944 1.00 10.00 C ATOM 273 CG LYS A 37 7.073 -7.729 -4.431 1.00 10.00 C ATOM 274 CD LYS A 37 7.632 -9.080 -4.850 1.00 10.00 C ATOM 275 CE LYS A 37 9.146 -9.126 -4.731 1.00 10.00 C ATOM 276 NZ LYS A 37 9.670 -10.507 -4.870 1.00 10.00 N ATOM 0 H LYS A 37 4.900 -6.666 -3.719 1.00 10.00 H new ATOM 0 HA LYS A 37 6.530 -6.373 -1.285 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.332 -7.306 -2.758 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.005 -8.394 -2.403 1.00 10.00 H new ATOM 0 HG2 LYS A 37 6.010 -7.683 -4.670 1.00 10.00 H new ATOM 0 HG3 LYS A 37 7.562 -6.938 -5.000 1.00 10.00 H new ATOM 0 HD2 LYS A 37 7.195 -9.862 -4.230 1.00 10.00 H new ATOM 0 HD3 LYS A 37 7.342 -9.290 -5.879 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.590 -8.490 -5.497 1.00 10.00 H new ATOM 0 HE3 LYS A 37 9.447 -8.719 -3.766 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 10.706 -10.496 -4.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.266 -11.108 -4.123 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 9.405 -10.887 -5.801 1.00 10.00 H new ATOM 290 N VAL A 38 7.513 -4.223 -1.828 1.00 10.00 N ATOM 291 CA VAL A 38 8.086 -2.910 -2.063 1.00 10.00 C ATOM 292 C VAL A 38 9.554 -2.881 -1.661 1.00 10.00 C ATOM 293 O VAL A 38 10.113 -3.897 -1.245 1.00 10.00 O ATOM 294 CB VAL A 38 7.325 -1.825 -1.268 1.00 10.00 C ATOM 295 CG1 VAL A 38 5.857 -1.810 -1.660 1.00 10.00 C ATOM 296 CG2 VAL A 38 7.473 -2.050 0.233 1.00 10.00 C ATOM 0 H VAL A 38 7.504 -4.503 -0.847 1.00 10.00 H new ATOM 0 HA VAL A 38 7.998 -2.702 -3.129 1.00 10.00 H new ATOM 0 HB VAL A 38 7.760 -0.856 -1.513 1.00 10.00 H new ATOM 0 HG11 VAL A 38 5.336 -1.040 -1.091 1.00 10.00 H new ATOM 0 HG12 VAL A 38 5.767 -1.597 -2.725 1.00 10.00 H new ATOM 0 HG13 VAL A 38 5.413 -2.782 -1.446 1.00 10.00 H new ATOM 0 HG21 VAL A 38 6.929 -1.275 0.773 1.00 10.00 H new ATOM 0 HG22 VAL A 38 7.068 -3.027 0.496 1.00 10.00 H new ATOM 0 HG23 VAL A 38 8.528 -2.009 0.505 1.00 10.00 H new ATOM 306 N LYS A 39 10.168 -1.718 -1.785 1.00 10.00 N ATOM 307 CA LYS A 39 11.563 -1.545 -1.425 1.00 10.00 C ATOM 308 C LYS A 39 11.696 -0.426 -0.398 1.00 10.00 C ATOM 309 O LYS A 39 10.697 0.146 0.039 1.00 10.00 O ATOM 310 CB LYS A 39 12.404 -1.203 -2.654 1.00 10.00 C ATOM 311 CG LYS A 39 12.778 -2.388 -3.524 1.00 10.00 C ATOM 312 CD LYS A 39 13.615 -1.917 -4.699 1.00 10.00 C ATOM 313 CE LYS A 39 14.159 -3.068 -5.524 1.00 10.00 C ATOM 314 NZ LYS A 39 14.767 -2.576 -6.786 1.00 10.00 N ATOM 0 H LYS A 39 9.717 -0.873 -2.135 1.00 10.00 H new ATOM 0 HA LYS A 39 11.925 -2.482 -1.002 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.856 -0.483 -3.262 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.319 -0.710 -2.324 1.00 10.00 H new ATOM 0 HG2 LYS A 39 13.335 -3.120 -2.939 1.00 10.00 H new ATOM 0 HG3 LYS A 39 11.877 -2.886 -3.883 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.010 -1.272 -5.336 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.445 -1.314 -4.331 1.00 10.00 H new ATOM 0 HE2 LYS A 39 14.904 -3.614 -4.946 1.00 10.00 H new ATOM 0 HE3 LYS A 39 13.356 -3.769 -5.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.132 -3.382 -7.333 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.048 -2.075 -7.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 15.548 -1.926 -6.565 1.00 10.00 H new ATOM 328 N MET A 40 12.925 -0.109 -0.028 1.00 10.00 N ATOM 329 CA MET A 40 13.177 0.945 0.944 1.00 10.00 C ATOM 330 C MET A 40 13.365 2.300 0.253 1.00 10.00 C ATOM 331 O MET A 40 13.065 3.346 0.828 1.00 10.00 O ATOM 332 CB MET A 40 14.410 0.599 1.784 1.00 10.00 C ATOM 333 CG MET A 40 14.551 1.435 3.048 1.00 10.00 C ATOM 334 SD MET A 40 13.053 1.458 4.055 1.00 10.00 S ATOM 335 CE MET A 40 12.849 -0.287 4.412 1.00 10.00 C ATOM 0 H MET A 40 13.765 -0.565 -0.385 1.00 10.00 H new ATOM 0 HA MET A 40 12.309 1.021 1.599 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.365 -0.454 2.060 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.303 0.730 1.172 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.376 1.045 3.644 1.00 10.00 H new ATOM 0 HG3 MET A 40 14.812 2.457 2.773 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.074 -0.416 5.167 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.560 -0.813 3.502 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.789 -0.695 4.784 1.00 10.00 H new ATOM 345 N THR A 41 13.846 2.272 -0.989 1.00 10.00 N ATOM 346 CA THR A 41 14.089 3.492 -1.752 1.00 10.00 C ATOM 347 C THR A 41 12.807 4.059 -2.350 1.00 10.00 C ATOM 348 O THR A 41 12.692 5.262 -2.582 1.00 10.00 O ATOM 349 CB THR A 41 15.094 3.244 -2.903 1.00 10.00 C ATOM 350 OG1 THR A 41 15.554 4.492 -3.434 1.00 10.00 O ATOM 351 CG2 THR A 41 14.468 2.413 -4.029 1.00 10.00 C ATOM 0 H THR A 41 14.076 1.413 -1.489 1.00 10.00 H new ATOM 0 HA THR A 41 14.502 4.212 -1.045 1.00 10.00 H new ATOM 0 HB THR A 41 15.934 2.685 -2.490 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.190 4.324 -4.160 1.00 10.00 H new ATOM 0 HG21 THR A 41 15.203 2.259 -4.819 1.00 10.00 H new ATOM 0 HG22 THR A 41 14.151 1.447 -3.635 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.605 2.941 -4.434 1.00 10.00 H new ATOM 359 N THR A 42 11.849 3.185 -2.584 1.00 10.00 N ATOM 360 CA THR A 42 10.597 3.569 -3.196 1.00 10.00 C ATOM 361 C THR A 42 9.807 4.551 -2.341 1.00 10.00 C ATOM 362 O THR A 42 9.821 4.470 -1.108 1.00 10.00 O ATOM 363 CB THR A 42 9.726 2.337 -3.427 1.00 10.00 C ATOM 364 OG1 THR A 42 9.512 1.676 -2.174 1.00 10.00 O ATOM 365 CG2 THR A 42 10.370 1.374 -4.413 1.00 10.00 C ATOM 0 H THR A 42 11.917 2.193 -2.356 1.00 10.00 H new ATOM 0 HA THR A 42 10.850 4.053 -4.139 1.00 10.00 H new ATOM 0 HB THR A 42 8.776 2.660 -3.852 1.00 10.00 H new ATOM 0 HG1 THR A 42 8.828 0.982 -2.283 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.722 0.509 -4.553 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.516 1.876 -5.369 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.334 1.046 -4.024 1.00 10.00 H new ATOM 373 N HIS A 43 9.105 5.462 -2.997 1.00 10.00 N ATOM 374 CA HIS A 43 8.279 6.436 -2.305 1.00 10.00 C ATOM 375 C HIS A 43 6.883 5.852 -2.129 1.00 10.00 C ATOM 376 O HIS A 43 6.404 5.115 -2.996 1.00 10.00 O ATOM 377 CB HIS A 43 8.178 7.740 -3.109 1.00 10.00 C ATOM 378 CG HIS A 43 9.474 8.470 -3.327 1.00 10.00 C ATOM 379 ND1 HIS A 43 9.524 9.572 -4.150 1.00 10.00 N ATOM 380 CD2 HIS A 43 10.712 8.265 -2.795 1.00 10.00 C ATOM 381 CE1 HIS A 43 10.766 10.007 -4.096 1.00 10.00 C ATOM 382 NE2 HIS A 43 11.507 9.257 -3.277 1.00 10.00 N ATOM 0 H HIS A 43 9.092 5.546 -4.013 1.00 10.00 H new ATOM 0 HA HIS A 43 8.731 6.659 -1.339 1.00 10.00 H new ATOM 0 HB2 HIS A 43 7.741 7.513 -4.082 1.00 10.00 H new ATOM 0 HB3 HIS A 43 7.486 8.409 -2.597 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.004 7.471 -2.123 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.137 10.861 -4.644 1.00 10.00 H new ATOM 0 HE2 HIS A 43 12.492 9.402 -3.053 1.00 10.00 H new ATOM 390 N LEU A 44 6.215 6.170 -1.030 1.00 10.00 N ATOM 391 CA LEU A 44 4.868 5.654 -0.813 1.00 10.00 C ATOM 392 C LEU A 44 3.884 6.395 -1.710 1.00 10.00 C ATOM 393 O LEU A 44 2.725 6.001 -1.851 1.00 10.00 O ATOM 394 CB LEU A 44 4.451 5.760 0.657 1.00 10.00 C ATOM 395 CG LEU A 44 4.997 4.653 1.566 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.472 4.812 2.981 1.00 10.00 C ATOM 397 CD2 LEU A 44 4.633 3.280 1.020 1.00 10.00 C ATOM 0 H LEU A 44 6.573 6.770 -0.287 1.00 10.00 H new ATOM 0 HA LEU A 44 4.862 4.595 -1.072 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.782 6.724 1.044 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.362 5.751 0.712 1.00 10.00 H new ATOM 0 HG LEU A 44 6.083 4.740 1.588 1.00 10.00 H new ATOM 0 HD11 LEU A 44 4.872 4.016 3.609 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.783 5.778 3.378 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.383 4.756 2.974 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.030 2.509 1.680 1.00 10.00 H new ATOM 0 HD22 LEU A 44 3.548 3.186 0.964 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.059 3.160 0.024 1.00 10.00 H new ATOM 409 N LYS A 45 4.375 7.469 -2.319 1.00 10.00 N ATOM 410 CA LYS A 45 3.588 8.279 -3.232 1.00 10.00 C ATOM 411 C LYS A 45 3.119 7.440 -4.421 1.00 10.00 C ATOM 412 O LYS A 45 1.925 7.391 -4.733 1.00 10.00 O ATOM 413 CB LYS A 45 4.428 9.463 -3.725 1.00 10.00 C ATOM 414 CG LYS A 45 3.747 10.312 -4.789 1.00 10.00 C ATOM 415 CD LYS A 45 2.560 11.066 -4.222 1.00 10.00 C ATOM 416 CE LYS A 45 1.713 11.686 -5.320 1.00 10.00 C ATOM 417 NZ LYS A 45 0.572 12.459 -4.765 1.00 10.00 N ATOM 0 H LYS A 45 5.331 7.800 -2.191 1.00 10.00 H new ATOM 0 HA LYS A 45 2.711 8.654 -2.705 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.676 10.097 -2.874 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.369 9.085 -4.125 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.464 11.020 -5.205 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.416 9.674 -5.609 1.00 10.00 H new ATOM 0 HD2 LYS A 45 1.947 10.387 -3.629 1.00 10.00 H new ATOM 0 HD3 LYS A 45 2.913 11.848 -3.549 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.333 12.341 -5.931 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.336 10.901 -5.976 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 -0.149 12.592 -5.503 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.157 11.940 -3.965 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.908 13.387 -4.438 1.00 10.00 H new ATOM 431 N LYS A 46 4.062 6.760 -5.065 1.00 10.00 N ATOM 432 CA LYS A 46 3.743 5.935 -6.219 1.00 10.00 C ATOM 433 C LYS A 46 3.032 4.657 -5.790 1.00 10.00 C ATOM 434 O LYS A 46 2.281 4.059 -6.560 1.00 10.00 O ATOM 435 CB LYS A 46 5.003 5.591 -7.013 1.00 10.00 C ATOM 436 CG LYS A 46 4.697 4.972 -8.365 1.00 10.00 C ATOM 437 CD LYS A 46 5.912 4.948 -9.268 1.00 10.00 C ATOM 438 CE LYS A 46 5.505 5.041 -10.729 1.00 10.00 C ATOM 439 NZ LYS A 46 4.896 6.359 -11.051 1.00 10.00 N ATOM 0 H LYS A 46 5.049 6.765 -4.807 1.00 10.00 H new ATOM 0 HA LYS A 46 3.075 6.509 -6.862 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.593 6.496 -7.158 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.615 4.901 -6.433 1.00 10.00 H new ATOM 0 HG2 LYS A 46 4.331 3.955 -8.223 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.898 5.534 -8.848 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.573 5.778 -9.017 1.00 10.00 H new ATOM 0 HD3 LYS A 46 6.476 4.030 -9.101 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.379 4.881 -11.360 1.00 10.00 H new ATOM 0 HE3 LYS A 46 4.795 4.247 -10.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 5.003 6.552 -12.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 3.885 6.344 -10.806 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 5.373 7.105 -10.505 1.00 10.00 H new ATOM 453 N LEU A 47 3.263 4.251 -4.551 1.00 10.00 N ATOM 454 CA LEU A 47 2.642 3.048 -4.011 1.00 10.00 C ATOM 455 C LEU A 47 1.122 3.179 -4.002 1.00 10.00 C ATOM 456 O LEU A 47 0.400 2.224 -4.294 1.00 10.00 O ATOM 457 CB LEU A 47 3.138 2.787 -2.588 1.00 10.00 C ATOM 458 CG LEU A 47 4.055 1.575 -2.417 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.387 0.325 -2.968 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.395 1.810 -3.093 1.00 10.00 C ATOM 0 H LEU A 47 3.877 4.737 -3.898 1.00 10.00 H new ATOM 0 HA LEU A 47 2.920 2.211 -4.651 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.669 3.673 -2.240 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.272 2.659 -1.939 1.00 10.00 H new ATOM 0 HG LEU A 47 4.237 1.430 -1.352 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.051 -0.529 -2.839 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.455 0.144 -2.432 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.175 0.463 -4.028 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.029 0.934 -2.957 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.240 1.984 -4.158 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.879 2.680 -2.650 1.00 10.00 H new ATOM 472 N LYS A 48 0.651 4.375 -3.677 1.00 10.00 N ATOM 473 CA LYS A 48 -0.775 4.645 -3.608 1.00 10.00 C ATOM 474 C LYS A 48 -1.433 4.587 -4.984 1.00 10.00 C ATOM 475 O LYS A 48 -2.456 3.922 -5.157 1.00 10.00 O ATOM 476 CB LYS A 48 -1.024 6.006 -2.959 1.00 10.00 C ATOM 477 CG LYS A 48 -0.526 6.089 -1.524 1.00 10.00 C ATOM 478 CD LYS A 48 -0.903 7.410 -0.872 1.00 10.00 C ATOM 479 CE LYS A 48 -2.399 7.508 -0.621 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.761 8.763 0.087 1.00 10.00 N ATOM 0 H LYS A 48 1.241 5.177 -3.456 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.228 3.866 -2.995 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.534 6.778 -3.552 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.093 6.220 -2.978 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.945 5.265 -0.946 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.558 5.972 -1.508 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.368 7.515 0.072 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.587 8.234 -1.511 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.930 7.461 -1.572 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.725 6.651 -0.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.775 8.953 -0.041 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.553 8.662 1.101 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -2.209 9.553 -0.303 1.00 10.00 H new ATOM 494 N GLU A 49 -0.844 5.266 -5.967 1.00 10.00 N ATOM 495 CA GLU A 49 -1.416 5.280 -7.314 1.00 10.00 C ATOM 496 C GLU A 49 -1.345 3.899 -7.961 1.00 10.00 C ATOM 497 O GLU A 49 -2.254 3.508 -8.694 1.00 10.00 O ATOM 498 CB GLU A 49 -0.737 6.329 -8.207 1.00 10.00 C ATOM 499 CG GLU A 49 0.759 6.139 -8.376 1.00 10.00 C ATOM 500 CD GLU A 49 1.334 7.003 -9.483 1.00 10.00 C ATOM 501 OE1 GLU A 49 0.623 7.905 -9.963 1.00 10.00 O ATOM 502 OE2 GLU A 49 2.497 6.779 -9.878 1.00 10.00 O ATOM 0 H GLU A 49 0.015 5.806 -5.861 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.466 5.556 -7.213 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.206 6.309 -9.191 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -0.920 7.318 -7.787 1.00 10.00 H new ATOM 0 HG2 GLU A 49 1.260 6.376 -7.437 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.967 5.091 -8.593 1.00 10.00 H new ATOM 509 N SER A 50 -0.283 3.154 -7.667 1.00 10.00 N ATOM 510 CA SER A 50 -0.111 1.817 -8.224 1.00 10.00 C ATOM 511 C SER A 50 -1.251 0.901 -7.791 1.00 10.00 C ATOM 512 O SER A 50 -1.750 0.098 -8.581 1.00 10.00 O ATOM 513 CB SER A 50 1.233 1.224 -7.802 1.00 10.00 C ATOM 514 OG SER A 50 2.306 2.006 -8.296 1.00 10.00 O ATOM 0 H SER A 50 0.470 3.453 -7.047 1.00 10.00 H new ATOM 0 HA SER A 50 -0.127 1.900 -9.311 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.287 1.171 -6.715 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.319 0.204 -8.176 1.00 10.00 H new ATOM 0 HG SER A 50 2.544 2.689 -7.635 1.00 10.00 H new ATOM 520 N TYR A 51 -1.670 1.034 -6.537 1.00 10.00 N ATOM 521 CA TYR A 51 -2.757 0.220 -6.017 1.00 10.00 C ATOM 522 C TYR A 51 -4.065 0.607 -6.698 1.00 10.00 C ATOM 523 O TYR A 51 -4.893 -0.251 -7.006 1.00 10.00 O ATOM 524 CB TYR A 51 -2.879 0.371 -4.499 1.00 10.00 C ATOM 525 CG TYR A 51 -3.766 -0.679 -3.866 1.00 10.00 C ATOM 526 CD1 TYR A 51 -3.356 -2.005 -3.796 1.00 10.00 C ATOM 527 CD2 TYR A 51 -5.014 -0.350 -3.352 1.00 10.00 C ATOM 528 CE1 TYR A 51 -4.163 -2.973 -3.228 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.825 -1.312 -2.782 1.00 10.00 C ATOM 530 CZ TYR A 51 -5.396 -2.620 -2.724 1.00 10.00 C ATOM 531 OH TYR A 51 -6.206 -3.580 -2.162 1.00 10.00 O ATOM 0 H TYR A 51 -1.275 1.694 -5.867 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.539 -0.826 -6.232 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.886 0.315 -4.054 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.276 1.360 -4.269 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -2.391 -2.284 -4.192 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.355 0.674 -3.399 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -3.829 -3.999 -3.180 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.791 -1.040 -2.384 1.00 10.00 H new ATOM 0 HH TYR A 51 -7.039 -3.166 -1.854 1.00 10.00 H new ATOM 541 N CYS A 52 -4.233 1.902 -6.946 1.00 10.00 N ATOM 542 CA CYS A 52 -5.428 2.405 -7.609 1.00 10.00 C ATOM 543 C CYS A 52 -5.515 1.855 -9.027 1.00 10.00 C ATOM 544 O CYS A 52 -6.579 1.435 -9.479 1.00 10.00 O ATOM 545 CB CYS A 52 -5.417 3.935 -7.642 1.00 10.00 C ATOM 546 SG CYS A 52 -6.069 4.711 -6.148 1.00 10.00 S ATOM 0 H CYS A 52 -3.555 2.622 -6.697 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.300 2.073 -7.046 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.394 4.277 -7.799 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.001 4.273 -8.498 1.00 10.00 H new ATOM 0 HG CYS A 52 -7.154 5.365 -6.437 1.00 10.00 H new ATOM 552 N GLN A 53 -4.379 1.845 -9.713 1.00 10.00 N ATOM 553 CA GLN A 53 -4.306 1.339 -11.078 1.00 10.00 C ATOM 554 C GLN A 53 -4.566 -0.166 -11.107 1.00 10.00 C ATOM 555 O GLN A 53 -5.168 -0.687 -12.044 1.00 10.00 O ATOM 556 CB GLN A 53 -2.933 1.654 -11.678 1.00 10.00 C ATOM 557 CG GLN A 53 -2.702 3.138 -11.923 1.00 10.00 C ATOM 558 CD GLN A 53 -1.236 3.488 -12.092 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.359 2.840 -11.524 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.959 4.520 -12.876 1.00 10.00 N ATOM 0 H GLN A 53 -3.491 2.184 -9.344 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.074 1.830 -11.675 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.159 1.280 -11.008 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -2.826 1.117 -12.621 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.248 3.443 -12.816 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -3.112 3.707 -11.089 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.715 5.033 -13.330 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.010 4.801 -13.025 1.00 10.00 H new ATOM 569 N ARG A 54 -4.120 -0.855 -10.063 1.00 10.00 N ATOM 570 CA ARG A 54 -4.301 -2.299 -9.955 1.00 10.00 C ATOM 571 C ARG A 54 -5.778 -2.657 -9.786 1.00 10.00 C ATOM 572 O ARG A 54 -6.253 -3.653 -10.334 1.00 10.00 O ATOM 573 CB ARG A 54 -3.491 -2.840 -8.775 1.00 10.00 C ATOM 574 CG ARG A 54 -3.398 -4.359 -8.733 1.00 10.00 C ATOM 575 CD ARG A 54 -2.581 -4.906 -9.896 1.00 10.00 C ATOM 576 NE ARG A 54 -2.303 -6.332 -9.744 1.00 10.00 N ATOM 577 CZ ARG A 54 -1.852 -7.115 -10.723 1.00 10.00 C ATOM 578 NH1 ARG A 54 -1.618 -6.615 -11.929 1.00 10.00 N ATOM 579 NH2 ARG A 54 -1.630 -8.401 -10.494 1.00 10.00 N ATOM 0 H ARG A 54 -3.628 -0.435 -9.275 1.00 10.00 H new ATOM 0 HA ARG A 54 -3.944 -2.758 -10.877 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.484 -2.426 -8.818 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.941 -2.488 -7.847 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -2.945 -4.670 -7.792 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -4.401 -4.786 -8.760 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.120 -4.739 -10.829 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -1.641 -4.359 -9.968 1.00 10.00 H new ATOM 0 HE ARG A 54 -2.464 -6.755 -8.830 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -1.783 -5.625 -12.112 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -1.273 -7.220 -12.674 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -1.804 -8.792 -9.568 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -1.285 -9.000 -11.244 1.00 10.00 H new ATOM 593 N GLN A 55 -6.500 -1.839 -9.027 1.00 10.00 N ATOM 594 CA GLN A 55 -7.923 -2.070 -8.787 1.00 10.00 C ATOM 595 C GLN A 55 -8.772 -1.439 -9.890 1.00 10.00 C ATOM 596 O GLN A 55 -9.959 -1.741 -10.027 1.00 10.00 O ATOM 597 CB GLN A 55 -8.338 -1.496 -7.428 1.00 10.00 C ATOM 598 CG GLN A 55 -7.650 -2.153 -6.242 1.00 10.00 C ATOM 599 CD GLN A 55 -7.975 -3.628 -6.116 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.245 -4.482 -6.618 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.073 -3.938 -5.446 1.00 10.00 N ATOM 0 H GLN A 55 -6.125 -1.010 -8.567 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.091 -3.147 -8.788 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.121 -0.428 -7.415 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.417 -1.603 -7.314 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.571 -2.031 -6.340 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -7.947 -1.641 -5.327 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -9.651 -3.200 -5.045 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.341 -4.915 -5.330 1.00 10.00 H new ATOM 610 N GLY A 56 -8.157 -0.562 -10.669 1.00 10.00 N ATOM 611 CA GLY A 56 -8.868 0.108 -11.741 1.00 10.00 C ATOM 612 C GLY A 56 -9.752 1.221 -11.217 1.00 10.00 C ATOM 613 O GLY A 56 -10.901 1.367 -11.641 1.00 10.00 O ATOM 0 H GLY A 56 -7.175 -0.301 -10.578 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.151 0.517 -12.453 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.477 -0.616 -12.282 1.00 10.00 H new ATOM 617 N VAL A 57 -9.220 2.000 -10.283 1.00 10.00 N ATOM 618 CA VAL A 57 -9.956 3.104 -9.685 1.00 10.00 C ATOM 619 C VAL A 57 -9.107 4.373 -9.664 1.00 10.00 C ATOM 620 O VAL A 57 -7.876 4.300 -9.702 1.00 10.00 O ATOM 621 CB VAL A 57 -10.406 2.776 -8.240 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.514 1.734 -8.240 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.228 2.300 -7.399 1.00 10.00 C ATOM 0 H VAL A 57 -8.273 1.885 -9.922 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.841 3.264 -10.300 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.797 3.692 -7.796 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.813 1.521 -7.214 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.371 2.114 -8.796 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.153 0.819 -8.710 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.569 2.076 -6.388 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.802 1.402 -7.846 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.469 3.081 -7.361 1.00 10.00 H new ATOM 633 N PRO A 58 -9.751 5.553 -9.633 1.00 10.00 N ATOM 634 CA PRO A 58 -9.045 6.838 -9.587 1.00 10.00 C ATOM 635 C PRO A 58 -8.203 6.968 -8.320 1.00 10.00 C ATOM 636 O PRO A 58 -8.414 6.243 -7.347 1.00 10.00 O ATOM 637 CB PRO A 58 -10.173 7.879 -9.585 1.00 10.00 C ATOM 638 CG PRO A 58 -11.393 7.134 -9.165 1.00 10.00 C ATOM 639 CD PRO A 58 -11.212 5.731 -9.666 1.00 10.00 C ATOM 0 HA PRO A 58 -8.352 6.955 -10.420 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.954 8.695 -8.897 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -10.302 8.321 -10.573 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.506 7.150 -8.081 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -12.291 7.586 -9.586 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.721 5.007 -9.030 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.611 5.607 -10.673 1.00 10.00 H new ATOM 647 N MET A 59 -7.250 7.883 -8.326 1.00 10.00 N ATOM 648 CA MET A 59 -6.387 8.079 -7.172 1.00 10.00 C ATOM 649 C MET A 59 -7.127 8.803 -6.050 1.00 10.00 C ATOM 650 O MET A 59 -8.031 9.601 -6.305 1.00 10.00 O ATOM 651 CB MET A 59 -5.133 8.862 -7.565 1.00 10.00 C ATOM 652 CG MET A 59 -3.993 8.720 -6.567 1.00 10.00 C ATOM 653 SD MET A 59 -2.581 9.766 -6.963 1.00 10.00 S ATOM 654 CE MET A 59 -1.366 9.148 -5.800 1.00 10.00 C ATOM 0 H MET A 59 -7.053 8.501 -9.114 1.00 10.00 H new ATOM 0 HA MET A 59 -6.089 7.096 -6.808 1.00 10.00 H new ATOM 0 HB2 MET A 59 -4.794 8.522 -8.543 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.389 9.917 -7.665 1.00 10.00 H new ATOM 0 HG2 MET A 59 -4.356 8.970 -5.570 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.671 7.679 -6.537 1.00 10.00 H new ATOM 0 HE1 MET A 59 -0.364 9.344 -6.182 1.00 10.00 H new ATOM 0 HE2 MET A 59 -1.493 9.649 -4.840 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.501 8.074 -5.669 1.00 10.00 H new ATOM 664 N ASN A 60 -6.751 8.481 -4.811 1.00 10.00 N ATOM 665 CA ASN A 60 -7.330 9.084 -3.604 1.00 10.00 C ATOM 666 C ASN A 60 -8.755 8.592 -3.344 1.00 10.00 C ATOM 667 O ASN A 60 -9.509 9.209 -2.589 1.00 10.00 O ATOM 668 CB ASN A 60 -7.303 10.614 -3.677 1.00 10.00 C ATOM 669 CG ASN A 60 -7.242 11.253 -2.301 1.00 10.00 C ATOM 670 OD1 ASN A 60 -6.603 10.729 -1.388 1.00 10.00 O ATOM 671 ND2 ASN A 60 -7.919 12.377 -2.139 1.00 10.00 N ATOM 0 H ASN A 60 -6.029 7.788 -4.613 1.00 10.00 H new ATOM 0 HA ASN A 60 -6.709 8.765 -2.767 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -6.441 10.933 -4.262 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.192 10.967 -4.200 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -7.925 12.843 -1.232 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -8.436 12.778 -2.921 1.00 10.00 H new ATOM 678 N SER A 61 -9.118 7.476 -3.961 1.00 10.00 N ATOM 679 CA SER A 61 -10.445 6.904 -3.772 1.00 10.00 C ATOM 680 C SER A 61 -10.423 5.906 -2.620 1.00 10.00 C ATOM 681 O SER A 61 -11.461 5.559 -2.050 1.00 10.00 O ATOM 682 CB SER A 61 -10.915 6.217 -5.054 1.00 10.00 C ATOM 683 OG SER A 61 -9.946 5.293 -5.513 1.00 10.00 O ATOM 0 H SER A 61 -8.516 6.950 -4.594 1.00 10.00 H new ATOM 0 HA SER A 61 -11.142 7.707 -3.532 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.858 5.701 -4.871 1.00 10.00 H new ATOM 0 HB3 SER A 61 -11.105 6.965 -5.824 1.00 10.00 H new ATOM 0 HG SER A 61 -9.572 5.606 -6.363 1.00 10.00 H new ATOM 689 N LEU A 62 -9.221 5.460 -2.282 1.00 10.00 N ATOM 690 CA LEU A 62 -9.023 4.506 -1.207 1.00 10.00 C ATOM 691 C LEU A 62 -8.081 5.088 -0.162 1.00 10.00 C ATOM 692 O LEU A 62 -7.160 5.840 -0.496 1.00 10.00 O ATOM 693 CB LEU A 62 -8.433 3.204 -1.758 1.00 10.00 C ATOM 694 CG LEU A 62 -9.227 2.546 -2.889 1.00 10.00 C ATOM 695 CD1 LEU A 62 -8.347 1.583 -3.666 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.443 1.819 -2.337 1.00 10.00 C ATOM 0 H LEU A 62 -8.360 5.750 -2.746 1.00 10.00 H new ATOM 0 HA LEU A 62 -9.988 4.295 -0.746 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.424 3.406 -2.116 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.343 2.491 -0.938 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.569 3.329 -3.566 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -8.928 1.124 -4.466 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -7.504 2.125 -4.094 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -7.977 0.807 -2.996 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -10.994 1.358 -3.157 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.120 1.048 -1.638 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.088 2.530 -1.820 1.00 10.00 H new ATOM 708 N ARG A 63 -8.313 4.758 1.097 1.00 10.00 N ATOM 709 CA ARG A 63 -7.464 5.243 2.173 1.00 10.00 C ATOM 710 C ARG A 63 -6.790 4.075 2.883 1.00 10.00 C ATOM 711 O ARG A 63 -7.446 3.108 3.277 1.00 10.00 O ATOM 712 CB ARG A 63 -8.256 6.104 3.170 1.00 10.00 C ATOM 713 CG ARG A 63 -9.416 5.390 3.850 1.00 10.00 C ATOM 714 CD ARG A 63 -10.106 6.300 4.857 1.00 10.00 C ATOM 715 NE ARG A 63 -11.186 5.624 5.579 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.483 5.902 5.421 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.875 6.842 4.569 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.389 5.239 6.127 1.00 10.00 N ATOM 0 H ARG A 63 -9.080 4.158 1.399 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.693 5.876 1.734 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.572 6.468 3.937 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.643 6.978 2.646 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -10.135 5.062 3.099 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -9.051 4.495 4.354 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.370 6.668 5.572 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.509 7.170 4.338 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.932 4.894 6.245 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -12.183 7.360 4.027 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.868 7.046 4.456 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -13.094 4.520 6.788 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.380 5.448 6.009 1.00 10.00 H new ATOM 732 N PHE A 64 -5.478 4.168 3.020 1.00 10.00 N ATOM 733 CA PHE A 64 -4.696 3.128 3.675 1.00 10.00 C ATOM 734 C PHE A 64 -4.585 3.426 5.160 1.00 10.00 C ATOM 735 O PHE A 64 -4.193 4.525 5.551 1.00 10.00 O ATOM 736 CB PHE A 64 -3.304 3.033 3.049 1.00 10.00 C ATOM 737 CG PHE A 64 -3.326 2.754 1.574 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.255 3.792 0.657 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.425 1.457 1.102 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.280 3.540 -0.699 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.449 1.196 -0.254 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.379 2.241 -1.157 1.00 10.00 C ATOM 0 H PHE A 64 -4.927 4.958 2.684 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.200 2.171 3.541 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.771 3.967 3.226 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.742 2.245 3.551 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.179 4.810 1.009 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.484 0.638 1.803 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.222 4.358 -1.402 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.522 0.178 -0.608 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.402 2.042 -2.218 1.00 10.00 H new ATOM 752 N LEU A 65 -4.930 2.448 5.980 1.00 10.00 N ATOM 753 CA LEU A 65 -4.893 2.615 7.422 1.00 10.00 C ATOM 754 C LEU A 65 -3.843 1.716 8.056 1.00 10.00 C ATOM 755 O LEU A 65 -3.927 0.486 7.980 1.00 10.00 O ATOM 756 CB LEU A 65 -6.268 2.320 8.025 1.00 10.00 C ATOM 757 CG LEU A 65 -7.402 3.218 7.531 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.738 2.710 8.037 1.00 10.00 C ATOM 759 CD2 LEU A 65 -7.177 4.654 7.977 1.00 10.00 C ATOM 0 H LEU A 65 -5.240 1.527 5.670 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.624 3.650 7.632 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.527 1.283 7.809 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -6.199 2.412 9.109 1.00 10.00 H new ATOM 0 HG LEU A 65 -7.412 3.193 6.441 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -9.535 3.360 7.676 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.904 1.696 7.672 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.737 2.707 9.127 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -7.994 5.279 7.616 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -7.141 4.696 9.066 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -6.234 5.018 7.569 1.00 10.00 H new ATOM 771 N PHE A 66 -2.867 2.341 8.688 1.00 10.00 N ATOM 772 CA PHE A 66 -1.791 1.637 9.358 1.00 10.00 C ATOM 773 C PHE A 66 -1.769 2.037 10.827 1.00 10.00 C ATOM 774 O PHE A 66 -1.472 3.187 11.158 1.00 10.00 O ATOM 775 CB PHE A 66 -0.450 1.965 8.698 1.00 10.00 C ATOM 776 CG PHE A 66 0.724 1.283 9.340 1.00 10.00 C ATOM 777 CD1 PHE A 66 1.025 -0.035 9.042 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.529 1.962 10.243 1.00 10.00 C ATOM 779 CE1 PHE A 66 2.105 -0.661 9.630 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.609 1.338 10.836 1.00 10.00 C ATOM 781 CZ PHE A 66 2.898 0.025 10.528 1.00 10.00 C ATOM 0 H PHE A 66 -2.799 3.357 8.751 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.957 0.563 9.278 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.494 1.680 7.647 1.00 10.00 H new ATOM 0 HB3 PHE A 66 -0.294 3.043 8.730 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.408 -0.579 8.342 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.308 2.991 10.485 1.00 10.00 H new ATOM 0 HE1 PHE A 66 2.330 -1.689 9.387 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.226 1.877 11.540 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.743 -0.465 10.988 1.00 10.00 H new ATOM 791 N GLU A 67 -2.114 1.089 11.695 1.00 10.00 N ATOM 792 CA GLU A 67 -2.151 1.319 13.137 1.00 10.00 C ATOM 793 C GLU A 67 -3.132 2.436 13.483 1.00 10.00 C ATOM 794 O GLU A 67 -2.919 3.203 14.424 1.00 10.00 O ATOM 795 CB GLU A 67 -0.752 1.643 13.669 1.00 10.00 C ATOM 796 CG GLU A 67 0.167 0.433 13.730 1.00 10.00 C ATOM 797 CD GLU A 67 -0.425 -0.700 14.543 1.00 10.00 C ATOM 798 OE1 GLU A 67 -0.817 -1.726 13.950 1.00 10.00 O ATOM 799 OE2 GLU A 67 -0.502 -0.569 15.783 1.00 10.00 O ATOM 0 H GLU A 67 -2.375 0.142 11.420 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.496 0.404 13.618 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.297 2.403 13.034 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.841 2.073 14.667 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.370 0.083 12.718 1.00 10.00 H new ATOM 0 HG3 GLU A 67 1.123 0.727 14.164 1.00 10.00 H new ATOM 806 N GLY A 68 -4.206 2.524 12.708 1.00 10.00 N ATOM 807 CA GLY A 68 -5.216 3.541 12.938 1.00 10.00 C ATOM 808 C GLY A 68 -4.980 4.800 12.124 1.00 10.00 C ATOM 809 O GLY A 68 -5.928 5.479 11.727 1.00 10.00 O ATOM 0 H GLY A 68 -4.397 1.906 11.920 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -6.197 3.134 12.693 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -5.233 3.797 13.997 1.00 10.00 H new ATOM 813 N GLN A 69 -3.716 5.104 11.866 1.00 10.00 N ATOM 814 CA GLN A 69 -3.348 6.292 11.108 1.00 10.00 C ATOM 815 C GLN A 69 -3.480 6.047 9.611 1.00 10.00 C ATOM 816 O GLN A 69 -3.373 4.913 9.146 1.00 10.00 O ATOM 817 CB GLN A 69 -1.912 6.704 11.428 1.00 10.00 C ATOM 818 CG GLN A 69 -1.741 7.336 12.800 1.00 10.00 C ATOM 819 CD GLN A 69 -1.291 8.781 12.715 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.623 9.181 11.764 1.00 10.00 O ATOM 821 NE2 GLN A 69 -1.660 9.575 13.705 1.00 10.00 N ATOM 0 H GLN A 69 -2.923 4.540 12.173 1.00 10.00 H new ATOM 0 HA GLN A 69 -4.029 7.093 11.395 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -1.270 5.826 11.361 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -1.569 7.408 10.670 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -2.685 7.283 13.342 1.00 10.00 H new ATOM 0 HG3 GLN A 69 -1.012 6.764 13.373 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -2.215 9.204 14.477 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -1.390 10.559 13.697 1.00 10.00 H new ATOM 830 N ARG A 70 -3.711 7.107 8.856 1.00 10.00 N ATOM 831 CA ARG A 70 -3.839 6.989 7.415 1.00 10.00 C ATOM 832 C ARG A 70 -2.510 7.320 6.742 1.00 10.00 C ATOM 833 O ARG A 70 -1.796 8.228 7.175 1.00 10.00 O ATOM 834 CB ARG A 70 -4.958 7.893 6.884 1.00 10.00 C ATOM 835 CG ARG A 70 -4.714 9.380 7.092 1.00 10.00 C ATOM 836 CD ARG A 70 -5.857 10.214 6.533 1.00 10.00 C ATOM 837 NE ARG A 70 -6.100 9.936 5.118 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.310 9.903 4.559 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.396 10.127 5.293 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.436 9.646 3.262 1.00 10.00 N ATOM 0 H ARG A 70 -3.813 8.056 9.216 1.00 10.00 H new ATOM 0 HA ARG A 70 -4.105 5.959 7.177 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -5.087 7.704 5.818 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.893 7.619 7.372 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.598 9.586 8.156 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.781 9.668 6.608 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.764 10.013 7.103 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -5.629 11.272 6.660 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.293 9.756 4.521 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.306 10.325 6.289 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.319 10.100 4.860 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.607 9.474 2.693 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -8.362 9.621 2.835 1.00 10.00 H new ATOM 854 N ILE A 71 -2.173 6.570 5.703 1.00 10.00 N ATOM 855 CA ILE A 71 -0.928 6.778 4.978 1.00 10.00 C ATOM 856 C ILE A 71 -1.026 7.985 4.051 1.00 10.00 C ATOM 857 O ILE A 71 -1.932 8.075 3.215 1.00 10.00 O ATOM 858 CB ILE A 71 -0.539 5.530 4.157 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.423 4.300 5.067 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.767 5.760 3.407 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.583 4.462 6.188 1.00 10.00 C ATOM 0 H ILE A 71 -2.747 5.808 5.342 1.00 10.00 H new ATOM 0 HA ILE A 71 -0.154 6.964 5.722 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.326 5.347 3.426 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.401 4.084 5.497 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.144 3.437 4.462 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.021 4.867 2.836 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.653 6.605 2.728 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.563 5.973 4.120 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.609 3.552 6.788 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.571 4.647 5.766 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.294 5.304 6.817 1.00 10.00 H new ATOM 873 N ALA A 72 -0.091 8.908 4.208 1.00 10.00 N ATOM 874 CA ALA A 72 -0.057 10.113 3.397 1.00 10.00 C ATOM 875 C ALA A 72 0.776 9.891 2.140 1.00 10.00 C ATOM 876 O ALA A 72 1.526 8.921 2.043 1.00 10.00 O ATOM 877 CB ALA A 72 0.495 11.278 4.203 1.00 10.00 C ATOM 0 H ALA A 72 0.660 8.844 4.895 1.00 10.00 H new ATOM 0 HA ALA A 72 -1.076 10.353 3.094 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.514 12.173 3.582 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -0.140 11.453 5.072 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.507 11.044 4.534 1.00 10.00 H new ATOM 883 N ASP A 73 0.649 10.805 1.192 1.00 10.00 N ATOM 884 CA ASP A 73 1.378 10.719 -0.071 1.00 10.00 C ATOM 885 C ASP A 73 2.845 11.083 0.119 1.00 10.00 C ATOM 886 O ASP A 73 3.677 10.836 -0.754 1.00 10.00 O ATOM 887 CB ASP A 73 0.752 11.652 -1.114 1.00 10.00 C ATOM 888 CG ASP A 73 -0.565 11.136 -1.659 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.497 10.904 -0.860 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.686 10.978 -2.892 1.00 10.00 O ATOM 0 H ASP A 73 0.044 11.622 1.271 1.00 10.00 H new ATOM 0 HA ASP A 73 1.315 9.689 -0.422 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.594 12.633 -0.667 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.452 11.787 -1.939 1.00 10.00 H new ATOM 895 N ASN A 74 3.156 11.679 1.259 1.00 10.00 N ATOM 896 CA ASN A 74 4.523 12.083 1.568 1.00 10.00 C ATOM 897 C ASN A 74 5.114 11.203 2.664 1.00 10.00 C ATOM 898 O ASN A 74 6.072 11.586 3.340 1.00 10.00 O ATOM 899 CB ASN A 74 4.569 13.558 1.986 1.00 10.00 C ATOM 900 CG ASN A 74 3.599 13.891 3.105 1.00 10.00 C ATOM 901 OD1 ASN A 74 2.420 14.159 2.863 1.00 10.00 O ATOM 902 ND2 ASN A 74 4.086 13.882 4.337 1.00 10.00 N ATOM 0 H ASN A 74 2.479 11.896 1.990 1.00 10.00 H new ATOM 0 HA ASN A 74 5.124 11.959 0.667 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.581 13.808 2.304 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.344 14.182 1.121 1.00 10.00 H new ATOM 0 HD21 ASN A 74 3.479 14.102 5.127 1.00 10.00 H new ATOM 0 HD22 ASN A 74 5.068 13.655 4.496 1.00 10.00 H new ATOM 909 N HIS A 75 4.539 10.021 2.834 1.00 10.00 N ATOM 910 CA HIS A 75 5.014 9.075 3.838 1.00 10.00 C ATOM 911 C HIS A 75 6.077 8.163 3.236 1.00 10.00 C ATOM 912 O HIS A 75 6.190 8.049 2.016 1.00 10.00 O ATOM 913 CB HIS A 75 3.856 8.234 4.385 1.00 10.00 C ATOM 914 CG HIS A 75 3.136 8.853 5.547 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.023 8.260 6.096 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.404 9.997 6.223 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.641 9.048 7.084 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.445 10.111 7.198 1.00 10.00 N ATOM 0 H HIS A 75 3.742 9.692 2.290 1.00 10.00 H new ATOM 0 HA HIS A 75 5.450 9.641 4.662 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.140 8.057 3.582 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.241 7.261 4.689 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.214 10.685 6.032 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.788 8.859 7.719 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.361 10.864 7.881 1.00 10.00 H new ATOM 926 N THR A 76 6.860 7.527 4.089 1.00 10.00 N ATOM 927 CA THR A 76 7.904 6.616 3.644 1.00 10.00 C ATOM 928 C THR A 76 7.797 5.283 4.383 1.00 10.00 C ATOM 929 O THR A 76 7.326 5.244 5.517 1.00 10.00 O ATOM 930 CB THR A 76 9.307 7.221 3.877 1.00 10.00 C ATOM 931 OG1 THR A 76 9.378 7.821 5.179 1.00 10.00 O ATOM 932 CG2 THR A 76 9.635 8.263 2.818 1.00 10.00 C ATOM 0 H THR A 76 6.793 7.625 5.102 1.00 10.00 H new ATOM 0 HA THR A 76 7.767 6.451 2.575 1.00 10.00 H new ATOM 0 HB THR A 76 10.036 6.414 3.809 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.698 8.523 5.253 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.628 8.673 3.006 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.615 7.799 1.832 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.898 9.065 2.857 1.00 10.00 H new ATOM 940 N PRO A 77 8.223 4.170 3.757 1.00 10.00 N ATOM 941 CA PRO A 77 8.169 2.842 4.386 1.00 10.00 C ATOM 942 C PRO A 77 9.135 2.722 5.568 1.00 10.00 C ATOM 943 O PRO A 77 9.089 1.758 6.335 1.00 10.00 O ATOM 944 CB PRO A 77 8.586 1.882 3.261 1.00 10.00 C ATOM 945 CG PRO A 77 8.512 2.679 2.002 1.00 10.00 C ATOM 946 CD PRO A 77 8.769 4.104 2.391 1.00 10.00 C ATOM 0 HA PRO A 77 7.181 2.631 4.794 1.00 10.00 H new ATOM 0 HB2 PRO A 77 9.594 1.501 3.425 1.00 10.00 H new ATOM 0 HB3 PRO A 77 7.922 1.018 3.217 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.251 2.334 1.279 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.534 2.574 1.532 1.00 10.00 H new ATOM 0 HD2 PRO A 77 9.832 4.345 2.368 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.269 4.803 1.721 1.00 10.00 H new ATOM 954 N LYS A 78 10.011 3.708 5.703 1.00 10.00 N ATOM 955 CA LYS A 78 10.989 3.728 6.782 1.00 10.00 C ATOM 956 C LYS A 78 10.363 4.207 8.090 1.00 10.00 C ATOM 957 O LYS A 78 10.650 3.667 9.158 1.00 10.00 O ATOM 958 CB LYS A 78 12.167 4.628 6.401 1.00 10.00 C ATOM 959 CG LYS A 78 13.212 4.781 7.497 1.00 10.00 C ATOM 960 CD LYS A 78 13.929 3.471 7.788 1.00 10.00 C ATOM 961 CE LYS A 78 14.789 3.030 6.614 1.00 10.00 C ATOM 962 NZ LYS A 78 15.583 1.815 6.935 1.00 10.00 N ATOM 0 H LYS A 78 10.064 4.509 5.074 1.00 10.00 H new ATOM 0 HA LYS A 78 11.347 2.710 6.935 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.647 4.223 5.510 1.00 10.00 H new ATOM 0 HB3 LYS A 78 11.786 5.614 6.137 1.00 10.00 H new ATOM 0 HG2 LYS A 78 13.941 5.535 7.200 1.00 10.00 H new ATOM 0 HG3 LYS A 78 12.733 5.142 8.407 1.00 10.00 H new ATOM 0 HD2 LYS A 78 14.553 3.586 8.674 1.00 10.00 H new ATOM 0 HD3 LYS A 78 13.196 2.697 8.014 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.152 2.830 5.752 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.462 3.840 6.332 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 16.156 1.546 6.109 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 16.209 2.013 7.741 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 14.940 1.035 7.179 1.00 10.00 H new ATOM 976 N GLU A 79 9.505 5.218 8.006 1.00 10.00 N ATOM 977 CA GLU A 79 8.859 5.758 9.194 1.00 10.00 C ATOM 978 C GLU A 79 7.699 4.867 9.634 1.00 10.00 C ATOM 979 O GLU A 79 7.331 3.922 8.928 1.00 10.00 O ATOM 980 CB GLU A 79 8.374 7.188 8.940 1.00 10.00 C ATOM 981 CG GLU A 79 7.269 7.286 7.906 1.00 10.00 C ATOM 982 CD GLU A 79 7.010 8.708 7.470 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.459 9.489 8.271 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.358 9.051 6.323 1.00 10.00 O ATOM 0 H GLU A 79 9.243 5.677 7.133 1.00 10.00 H new ATOM 0 HA GLU A 79 9.593 5.782 9.999 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.019 7.613 9.879 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.218 7.795 8.614 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.535 6.685 7.036 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.353 6.863 8.317 1.00 10.00 H new ATOM 991 N LEU A 80 7.148 5.171 10.810 1.00 10.00 N ATOM 992 CA LEU A 80 6.031 4.423 11.403 1.00 10.00 C ATOM 993 C LEU A 80 6.484 3.057 11.922 1.00 10.00 C ATOM 994 O LEU A 80 6.286 2.739 13.096 1.00 10.00 O ATOM 995 CB LEU A 80 4.864 4.276 10.418 1.00 10.00 C ATOM 996 CG LEU A 80 3.780 5.353 10.533 1.00 10.00 C ATOM 997 CD1 LEU A 80 2.801 5.254 9.374 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.046 5.231 11.861 1.00 10.00 C ATOM 0 H LEU A 80 7.466 5.951 11.386 1.00 10.00 H new ATOM 0 HA LEU A 80 5.674 5.002 12.255 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.261 4.288 9.403 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.403 3.300 10.568 1.00 10.00 H new ATOM 0 HG LEU A 80 4.262 6.330 10.493 1.00 10.00 H new ATOM 0 HD11 LEU A 80 2.039 6.027 9.474 1.00 10.00 H new ATOM 0 HD12 LEU A 80 3.335 5.391 8.434 1.00 10.00 H new ATOM 0 HD13 LEU A 80 2.326 4.273 9.382 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.280 6.004 11.926 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.578 4.249 11.929 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.754 5.353 12.681 1.00 10.00 H new ATOM 1010 N GLY A 81 7.098 2.260 11.061 1.00 10.00 N ATOM 1011 CA GLY A 81 7.570 0.951 11.470 1.00 10.00 C ATOM 1012 C GLY A 81 6.957 -0.170 10.660 1.00 10.00 C ATOM 1013 O GLY A 81 6.160 -0.953 11.176 1.00 10.00 O ATOM 0 H GLY A 81 7.279 2.495 10.085 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.655 0.913 11.372 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.340 0.800 12.525 1.00 10.00 H new ATOM 1017 N MET A 82 7.328 -0.247 9.391 1.00 10.00 N ATOM 1018 CA MET A 82 6.813 -1.284 8.503 1.00 10.00 C ATOM 1019 C MET A 82 7.860 -2.372 8.293 1.00 10.00 C ATOM 1020 O MET A 82 9.011 -2.080 7.952 1.00 10.00 O ATOM 1021 CB MET A 82 6.408 -0.676 7.160 1.00 10.00 C ATOM 1022 CG MET A 82 5.282 0.339 7.277 1.00 10.00 C ATOM 1023 SD MET A 82 5.080 1.332 5.786 1.00 10.00 S ATOM 1024 CE MET A 82 3.784 2.453 6.311 1.00 10.00 C ATOM 0 H MET A 82 7.985 0.397 8.950 1.00 10.00 H new ATOM 0 HA MET A 82 5.934 -1.732 8.966 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.276 -0.195 6.710 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.100 -1.475 6.485 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.349 -0.183 7.490 1.00 10.00 H new ATOM 0 HG3 MET A 82 5.479 0.998 8.123 1.00 10.00 H new ATOM 0 HE1 MET A 82 3.542 3.136 5.497 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.896 1.882 6.581 1.00 10.00 H new ATOM 0 HE3 MET A 82 4.125 3.024 7.175 1.00 10.00 H new ATOM 1034 N GLU A 83 7.466 -3.618 8.512 1.00 10.00 N ATOM 1035 CA GLU A 83 8.370 -4.751 8.356 1.00 10.00 C ATOM 1036 C GLU A 83 7.801 -5.787 7.388 1.00 10.00 C ATOM 1037 O GLU A 83 6.840 -5.520 6.667 1.00 10.00 O ATOM 1038 CB GLU A 83 8.633 -5.399 9.719 1.00 10.00 C ATOM 1039 CG GLU A 83 9.864 -4.852 10.424 1.00 10.00 C ATOM 1040 CD GLU A 83 11.141 -5.119 9.654 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.153 -6.038 8.807 1.00 10.00 O ATOM 1042 OE2 GLU A 83 12.146 -4.416 9.898 1.00 10.00 O ATOM 0 H GLU A 83 6.521 -3.872 8.800 1.00 10.00 H new ATOM 0 HA GLU A 83 9.308 -4.381 7.941 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.762 -5.250 10.357 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.749 -6.474 9.585 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.749 -3.778 10.568 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.941 -5.300 11.415 1.00 10.00 H new ATOM 1049 N GLU A 84 8.417 -6.964 7.365 1.00 10.00 N ATOM 1050 CA GLU A 84 7.979 -8.048 6.496 1.00 10.00 C ATOM 1051 C GLU A 84 6.697 -8.673 7.039 1.00 10.00 C ATOM 1052 O GLU A 84 6.543 -8.821 8.255 1.00 10.00 O ATOM 1053 CB GLU A 84 9.076 -9.110 6.390 1.00 10.00 C ATOM 1054 CG GLU A 84 8.765 -10.225 5.401 1.00 10.00 C ATOM 1055 CD GLU A 84 9.082 -9.859 3.962 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.418 -8.689 3.694 1.00 10.00 O ATOM 1057 OE2 GLU A 84 9.003 -10.755 3.091 1.00 10.00 O ATOM 0 H GLU A 84 9.226 -7.192 7.943 1.00 10.00 H new ATOM 0 HA GLU A 84 7.780 -7.644 5.503 1.00 10.00 H new ATOM 0 HB2 GLU A 84 10.008 -8.627 6.096 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.241 -9.547 7.375 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.333 -11.114 5.676 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.709 -10.485 5.478 1.00 10.00 H new ATOM 1064 N GLU A 85 5.785 -9.029 6.131 1.00 10.00 N ATOM 1065 CA GLU A 85 4.501 -9.637 6.491 1.00 10.00 C ATOM 1066 C GLU A 85 3.652 -8.653 7.290 1.00 10.00 C ATOM 1067 O GLU A 85 2.770 -9.048 8.058 1.00 10.00 O ATOM 1068 CB GLU A 85 4.704 -10.932 7.293 1.00 10.00 C ATOM 1069 CG GLU A 85 5.340 -12.060 6.496 1.00 10.00 C ATOM 1070 CD GLU A 85 4.443 -12.578 5.391 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.494 -12.033 4.268 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.695 -13.551 5.630 1.00 10.00 O ATOM 0 H GLU A 85 5.915 -8.904 5.127 1.00 10.00 H new ATOM 0 HA GLU A 85 3.979 -9.888 5.567 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.329 -10.716 8.160 1.00 10.00 H new ATOM 0 HB3 GLU A 85 3.739 -11.268 7.672 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.277 -11.709 6.063 1.00 10.00 H new ATOM 0 HG3 GLU A 85 5.588 -12.880 7.170 1.00 10.00 H new ATOM 1079 N ASP A 86 3.925 -7.369 7.089 1.00 10.00 N ATOM 1080 CA ASP A 86 3.211 -6.300 7.780 1.00 10.00 C ATOM 1081 C ASP A 86 1.776 -6.200 7.282 1.00 10.00 C ATOM 1082 O ASP A 86 1.537 -6.098 6.079 1.00 10.00 O ATOM 1083 CB ASP A 86 3.923 -4.970 7.556 1.00 10.00 C ATOM 1084 CG ASP A 86 3.836 -4.061 8.758 1.00 10.00 C ATOM 1085 OD1 ASP A 86 2.734 -3.555 9.046 1.00 10.00 O ATOM 1086 OD2 ASP A 86 4.877 -3.845 9.415 1.00 10.00 O ATOM 0 H ASP A 86 4.644 -7.040 6.445 1.00 10.00 H new ATOM 0 HA ASP A 86 3.196 -6.531 8.845 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.971 -5.157 7.320 1.00 10.00 H new ATOM 0 HB3 ASP A 86 3.487 -4.468 6.692 1.00 10.00 H new ATOM 1091 N VAL A 87 0.829 -6.220 8.206 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.584 -6.146 7.861 1.00 10.00 C ATOM 1093 C VAL A 87 -1.062 -4.699 7.785 1.00 10.00 C ATOM 1094 O VAL A 87 -0.861 -3.917 8.715 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.444 -6.919 8.886 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -2.917 -6.875 8.506 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -0.967 -8.357 9.006 1.00 10.00 C ATOM 0 H VAL A 87 1.014 -6.287 9.207 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.700 -6.605 6.879 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.331 -6.434 9.856 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.500 -7.427 9.244 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.255 -5.839 8.478 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -3.053 -7.328 7.524 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -1.584 -8.886 9.732 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -1.046 -8.849 8.036 1.00 10.00 H new ATOM 0 HG23 VAL A 87 0.072 -8.369 9.336 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.683 -4.348 6.667 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.203 -3.004 6.465 1.00 10.00 C ATOM 1109 C ILE A 88 -3.599 -3.077 5.847 1.00 10.00 C ATOM 1110 O ILE A 88 -3.891 -3.991 5.072 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.258 -2.157 5.574 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.831 -0.751 5.367 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.013 -2.847 4.236 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -0.828 0.240 4.819 1.00 10.00 C ATOM 0 H ILE A 88 -1.839 -4.980 5.882 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.265 -2.513 7.436 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.299 -2.063 6.084 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -2.679 -0.811 4.685 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -2.212 -0.380 6.318 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.347 -2.235 3.627 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -0.555 -3.821 4.407 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -1.962 -2.979 3.716 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.306 1.212 4.699 1.00 10.00 H new ATOM 0 HD12 ILE A 88 0.010 0.330 5.511 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.464 -0.107 3.852 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.466 -2.135 6.197 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.827 -2.130 5.677 1.00 10.00 C ATOM 1128 C GLU A 89 -6.050 -0.967 4.719 1.00 10.00 C ATOM 1129 O GLU A 89 -5.371 0.057 4.798 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.839 -2.045 6.823 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.463 -2.882 8.034 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.627 -3.108 8.976 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.455 -2.187 9.147 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.711 -4.209 9.560 1.00 10.00 O ATOM 0 H GLU A 89 -4.252 -1.369 6.835 1.00 10.00 H new ATOM 0 HA GLU A 89 -5.972 -3.063 5.132 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.941 -1.004 7.129 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.815 -2.367 6.459 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.080 -3.846 7.699 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.655 -2.389 8.574 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.003 -1.136 3.816 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.348 -0.108 2.847 1.00 10.00 C ATOM 1143 C VAL A 90 -8.853 -0.130 2.596 1.00 10.00 C ATOM 1144 O VAL A 90 -9.421 -1.164 2.241 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.576 -0.274 1.513 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -6.700 -1.692 0.977 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.056 0.738 0.481 1.00 10.00 C ATOM 0 H VAL A 90 -7.558 -1.988 3.734 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.056 0.856 3.264 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.521 -0.085 1.713 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.148 -1.777 0.041 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.291 -2.393 1.704 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -7.750 -1.924 0.801 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.500 0.603 -0.447 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.119 0.589 0.292 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -6.892 1.748 0.858 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.502 1.004 2.807 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.942 1.094 2.620 1.00 10.00 C ATOM 1159 C TYR A 91 -11.294 2.238 1.685 1.00 10.00 C ATOM 1160 O TYR A 91 -10.492 3.150 1.484 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.642 1.278 3.970 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.376 0.149 4.939 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -11.971 -1.097 4.773 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.511 0.324 6.010 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.716 -2.132 5.653 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.254 -0.704 6.895 1.00 10.00 C ATOM 1167 CZ TYR A 91 -10.853 -1.930 6.709 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.588 -2.959 7.586 1.00 10.00 O ATOM 0 H TYR A 91 -9.057 1.872 3.107 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.287 0.164 2.168 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.314 2.216 4.417 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.716 1.362 3.806 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.643 -1.259 3.943 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -10.031 1.281 6.154 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.190 -3.093 5.514 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.586 -0.547 7.729 1.00 10.00 H new ATOM 0 HH TYR A 91 -9.959 -2.651 8.272 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.490 2.181 1.116 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.948 3.209 0.194 1.00 10.00 C ATOM 1180 C GLN A 92 -13.286 4.491 0.939 1.00 10.00 C ATOM 1181 O GLN A 92 -13.876 4.461 2.023 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.167 2.722 -0.597 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.645 3.719 -1.641 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.855 3.234 -2.408 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.731 2.607 -3.460 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -17.035 3.516 -1.882 1.00 10.00 N ATOM 0 H GLN A 92 -13.162 1.431 1.278 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.139 3.418 -0.506 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -13.920 1.782 -1.089 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -14.982 2.514 0.096 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.886 4.663 -1.151 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.834 3.921 -2.341 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.092 4.038 -1.008 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.888 3.211 -2.351 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.891 5.611 0.353 1.00 10.00 N ATOM 1196 CA GLU A 93 -13.142 6.923 0.927 1.00 10.00 C ATOM 1197 C GLU A 93 -14.583 7.358 0.681 1.00 10.00 C ATOM 1198 O GLU A 93 -15.402 6.591 0.172 1.00 10.00 O ATOM 1199 CB GLU A 93 -12.187 7.946 0.312 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.792 7.910 0.900 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.673 8.767 2.139 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -11.434 8.541 3.103 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.820 9.678 2.154 1.00 10.00 O ATOM 0 H GLU A 93 -12.388 5.635 -0.534 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.977 6.865 2.003 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -12.123 7.770 -0.762 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.603 8.945 0.447 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.529 6.881 1.145 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -10.076 8.252 0.153 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.891 8.588 1.057 1.00 10.00 N ATOM 1211 CA GLN A 94 -16.224 9.131 0.863 1.00 10.00 C ATOM 1212 C GLN A 94 -16.203 10.157 -0.266 1.00 10.00 C ATOM 1213 O GLN A 94 -17.241 10.509 -0.824 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.732 9.768 2.160 1.00 10.00 C ATOM 1215 CG GLN A 94 -18.168 10.264 2.079 1.00 10.00 C ATOM 1216 CD GLN A 94 -18.648 10.893 3.370 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -17.865 11.458 4.132 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -19.943 10.803 3.624 1.00 10.00 N ATOM 0 H GLN A 94 -14.234 9.230 1.499 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.903 8.323 0.591 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -16.654 9.039 2.967 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -16.083 10.604 2.422 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -18.250 10.993 1.273 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -18.821 9.430 1.822 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -20.560 10.326 2.966 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -20.325 11.211 4.477 1.00 10.00 H new ATOM 1227 N THR A 95 -15.001 10.609 -0.610 1.00 10.00 N ATOM 1228 CA THR A 95 -14.810 11.599 -1.660 1.00 10.00 C ATOM 1229 C THR A 95 -15.183 11.050 -3.036 1.00 10.00 C ATOM 1230 O THR A 95 -15.762 11.758 -3.862 1.00 10.00 O ATOM 1231 CB THR A 95 -13.345 12.063 -1.684 1.00 10.00 C ATOM 1232 OG1 THR A 95 -12.580 11.258 -0.771 1.00 10.00 O ATOM 1233 CG2 THR A 95 -13.232 13.530 -1.298 1.00 10.00 C ATOM 0 H THR A 95 -14.135 10.299 -0.169 1.00 10.00 H new ATOM 0 HA THR A 95 -15.468 12.439 -1.438 1.00 10.00 H new ATOM 0 HB THR A 95 -12.957 11.948 -2.696 1.00 10.00 H new ATOM 0 HG1 THR A 95 -11.644 11.549 -0.784 1.00 10.00 H new ATOM 0 HG21 THR A 95 -12.185 13.833 -1.323 1.00 10.00 H new ATOM 0 HG22 THR A 95 -13.802 14.136 -2.002 1.00 10.00 H new ATOM 0 HG23 THR A 95 -13.627 13.673 -0.292 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.846 9.792 -3.280 1.00 10.00 N ATOM 1242 CA GLY A 96 -15.150 9.180 -4.558 1.00 10.00 C ATOM 1243 C GLY A 96 -13.991 9.284 -5.530 1.00 10.00 C ATOM 1244 O GLY A 96 -14.102 8.883 -6.688 1.00 10.00 O ATOM 0 H GLY A 96 -14.367 9.184 -2.616 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -15.402 8.131 -4.406 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -16.029 9.660 -4.989 1.00 10.00 H new ATOM 1248 N GLY A 97 -12.875 9.822 -5.057 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.706 9.979 -5.902 1.00 10.00 C ATOM 1250 C GLY A 97 -11.454 11.430 -6.254 1.00 10.00 C ATOM 1251 O GLY A 97 -12.052 12.325 -5.655 1.00 10.00 O ATOM 0 H GLY A 97 -12.758 10.154 -4.100 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -10.833 9.572 -5.392 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -11.839 9.401 -6.817 1.00 10.00 H new ATOM 1256 N ASP B 195 -8.283 -20.294 -4.885 1.00 10.00 N ATOM 1257 CA ASP B 195 -8.333 -19.119 -4.018 1.00 10.00 C ATOM 1258 C ASP B 195 -7.794 -17.897 -4.742 1.00 10.00 C ATOM 1259 O ASP B 195 -7.567 -17.949 -5.953 1.00 10.00 O ATOM 1260 CB ASP B 195 -7.541 -19.370 -2.742 1.00 10.00 C ATOM 1261 CG ASP B 195 -8.334 -20.180 -1.739 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -7.932 -21.326 -1.440 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -9.365 -19.674 -1.249 1.00 10.00 O ATOM 0 HA ASP B 195 -9.373 -18.931 -3.753 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -6.617 -19.895 -2.985 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -7.258 -18.416 -2.296 1.00 10.00 H new ATOM 1268 N THR B 196 -7.554 -16.805 -4.018 1.00 10.00 N ATOM 1269 CA THR B 196 -7.054 -15.614 -4.671 1.00 10.00 C ATOM 1270 C THR B 196 -5.688 -15.200 -4.144 1.00 10.00 C ATOM 1271 O THR B 196 -5.515 -14.933 -2.955 1.00 10.00 O ATOM 1272 CB THR B 196 -8.025 -14.436 -4.472 1.00 10.00 C ATOM 1273 OG1 THR B 196 -9.378 -14.916 -4.415 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.888 -13.431 -5.599 1.00 10.00 C ATOM 0 H THR B 196 -7.695 -16.727 -3.011 1.00 10.00 H new ATOM 0 HA THR B 196 -6.964 -15.859 -5.729 1.00 10.00 H new ATOM 0 HB THR B 196 -7.776 -13.943 -3.532 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.988 -14.160 -4.287 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.583 -12.607 -5.438 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.868 -13.046 -5.622 1.00 10.00 H new ATOM 0 HG23 THR B 196 -8.114 -13.916 -6.549 1.00 10.00 H new ATOM 1282 N ALA B 197 -4.731 -15.150 -5.059 1.00 10.00 N ATOM 1283 CA ALA B 197 -3.381 -14.719 -4.755 1.00 10.00 C ATOM 1284 C ALA B 197 -2.967 -13.634 -5.729 1.00 10.00 C ATOM 1285 O ALA B 197 -3.067 -13.822 -6.940 1.00 10.00 O ATOM 1286 CB ALA B 197 -2.409 -15.886 -4.823 1.00 10.00 C ATOM 0 H ALA B 197 -4.873 -15.409 -6.035 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.360 -14.324 -3.739 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -1.403 -15.536 -4.591 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.704 -16.648 -4.101 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -2.422 -16.313 -5.826 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.517 -12.508 -5.221 1.00 10.00 N ATOM 1293 CA GLY B 198 -2.090 -11.445 -6.101 1.00 10.00 C ATOM 1294 C GLY B 198 -0.680 -11.007 -5.827 1.00 10.00 C ATOM 1295 O GLY B 198 -0.338 -10.729 -4.685 1.00 10.00 O ATOM 0 H GLY B 198 -2.438 -12.307 -4.224 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -2.169 -11.779 -7.135 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.761 -10.593 -5.989 1.00 10.00 H new ATOM 1299 N CYS B 199 0.154 -10.961 -6.854 1.00 10.00 N ATOM 1300 CA CYS B 199 1.528 -10.523 -6.660 1.00 10.00 C ATOM 1301 C CYS B 199 1.823 -9.309 -7.542 1.00 10.00 C ATOM 1302 O CYS B 199 1.691 -9.365 -8.764 1.00 10.00 O ATOM 1303 CB CYS B 199 2.491 -11.678 -6.981 1.00 10.00 C ATOM 1304 SG CYS B 199 2.179 -13.181 -6.022 1.00 10.00 S ATOM 0 H CYS B 199 -0.089 -11.216 -7.811 1.00 10.00 H new ATOM 0 HA CYS B 199 1.670 -10.230 -5.620 1.00 10.00 H new ATOM 0 HB2 CYS B 199 2.418 -11.914 -8.043 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.513 -11.347 -6.798 1.00 10.00 H new ATOM 0 HG CYS B 199 3.036 -14.098 -6.361 1.00 10.00 H new ATOM 1310 N ILE B 200 2.198 -8.205 -6.906 1.00 10.00 N ATOM 1311 CA ILE B 200 2.527 -6.974 -7.616 1.00 10.00 C ATOM 1312 C ILE B 200 3.893 -6.437 -7.180 1.00 10.00 C ATOM 1313 O ILE B 200 4.174 -6.363 -5.980 1.00 10.00 O ATOM 1314 CB ILE B 200 1.412 -5.910 -7.426 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.853 -4.521 -7.924 1.00 10.00 C ATOM 1316 CG2 ILE B 200 0.976 -5.838 -5.970 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.711 -3.528 -8.017 1.00 10.00 C ATOM 0 H ILE B 200 2.282 -8.137 -5.892 1.00 10.00 H new ATOM 0 HA ILE B 200 2.588 -7.203 -8.680 1.00 10.00 H new ATOM 0 HB ILE B 200 0.561 -6.223 -8.032 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.615 -4.126 -7.252 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.316 -4.624 -8.905 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.194 -5.086 -5.861 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.592 -6.809 -5.657 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.829 -5.567 -5.348 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.090 -2.570 -8.374 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.041 -3.902 -8.712 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.262 -3.397 -7.032 1.00 10.00 H new ATOM 1329 N VAL B 201 4.749 -6.086 -8.138 1.00 10.00 N ATOM 1330 CA VAL B 201 6.063 -5.534 -7.816 1.00 10.00 C ATOM 1331 C VAL B 201 6.160 -4.108 -8.368 1.00 10.00 C ATOM 1332 O VAL B 201 5.869 -3.853 -9.537 1.00 10.00 O ATOM 1333 CB VAL B 201 7.232 -6.401 -8.359 1.00 10.00 C ATOM 1334 CG1 VAL B 201 7.237 -6.447 -9.884 1.00 10.00 C ATOM 1335 CG2 VAL B 201 8.568 -5.888 -7.833 1.00 10.00 C ATOM 0 H VAL B 201 4.558 -6.173 -9.136 1.00 10.00 H new ATOM 0 HA VAL B 201 6.160 -5.528 -6.730 1.00 10.00 H new ATOM 0 HB VAL B 201 7.082 -7.419 -8.000 1.00 10.00 H new ATOM 0 HG11 VAL B 201 8.069 -7.063 -10.227 1.00 10.00 H new ATOM 0 HG12 VAL B 201 6.299 -6.875 -10.238 1.00 10.00 H new ATOM 0 HG13 VAL B 201 7.347 -5.437 -10.278 1.00 10.00 H new ATOM 0 HG21 VAL B 201 9.375 -6.508 -8.224 1.00 10.00 H new ATOM 0 HG22 VAL B 201 8.714 -4.857 -8.155 1.00 10.00 H new ATOM 0 HG23 VAL B 201 8.571 -5.932 -6.744 1.00 10.00 H new ATOM 1345 N ILE B 202 6.566 -3.180 -7.514 1.00 10.00 N ATOM 1346 CA ILE B 202 6.663 -1.777 -7.888 1.00 10.00 C ATOM 1347 C ILE B 202 8.082 -1.257 -7.718 1.00 10.00 C ATOM 1348 O ILE B 202 8.740 -1.546 -6.721 1.00 10.00 O ATOM 1349 CB ILE B 202 5.687 -0.914 -7.049 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.797 0.576 -7.413 1.00 10.00 C ATOM 1351 CG2 ILE B 202 5.944 -1.115 -5.557 1.00 10.00 C ATOM 1352 CD1 ILE B 202 5.378 0.907 -8.833 1.00 10.00 C ATOM 0 H ILE B 202 6.835 -3.376 -6.550 1.00 10.00 H new ATOM 0 HA ILE B 202 6.389 -1.702 -8.940 1.00 10.00 H new ATOM 0 HB ILE B 202 4.673 -1.241 -7.281 1.00 10.00 H new ATOM 0 HG12 ILE B 202 5.182 1.153 -6.722 1.00 10.00 H new ATOM 0 HG13 ILE B 202 6.828 0.898 -7.267 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.250 -0.502 -4.982 1.00 10.00 H new ATOM 0 HG22 ILE B 202 5.798 -2.164 -5.301 1.00 10.00 H new ATOM 0 HG23 ILE B 202 6.967 -0.823 -5.321 1.00 10.00 H new ATOM 0 HD11 ILE B 202 5.487 1.978 -9.004 1.00 10.00 H new ATOM 0 HD12 ILE B 202 6.008 0.361 -9.535 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.337 0.620 -8.981 1.00 10.00 H new