USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 551 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 70 SER OG : rot 180:sc=-0.00157 USER MOD Set 1.2: A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 179:sc= -0.459 (180deg=0) USER MOD Set 2.2: A 49 ASN : amide:sc= -0.708 K(o=-1.3,f=-2!) USER MOD Set 2.3: A 51 HIS : no HE2:sc= -0.161 K(o=-1.3,f=-2) USER MOD Set 3.1: A 48 THR OG1 : rot 113:sc= 0.148 USER MOD Set 3.2: A 50 THR OG1 : rot -104:sc= 1.01 USER MOD Set 4.1: A 2 SER OG : rot -37:sc=-0.00256 USER MOD Set 4.2: A 31 GLN : amide:sc= 0.566 K(o=-3.7,f=-5.9!) USER MOD Set 4.3: A 33 TYR OH : rot -94:sc= 0.64 USER MOD Set 4.4: A 43 ASN : amide:sc= -4.89! C(o=-3.7!,f=-3.3!) USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0.163 (180deg=-0.149) USER MOD Single : A 4 MET CE :methyl 153:sc= -0.254 (180deg=-1.74!) USER MOD Single : A 8 TYR OH : rot -153:sc= 0.762 USER MOD Single : A 16 TYR OH : rot 65:sc= -0.224! USER MOD Single : A 20 LYS NZ :NH3+ -150:sc= -0.0956 (180deg=-0.739) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -19:sc= 1.12 USER MOD Single : A 34 ASN : amide:sc= -8.04! C(o=-8!,f=-15!) USER MOD Single : A 35 ASN : amide:sc= -7.19! C(o=-7.2!,f=-21!) USER MOD Single : A 38 MET CE :methyl -140:sc= -0.327 (180deg=-1.66!) USER MOD Single : A 41 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-7.3!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -84:sc= 1.26 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 51:sc= 0.464 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -16.609 -12.821 7.096 1.00 0.00 N ATOM 2 CA ASP A 1 -15.461 -12.716 8.039 1.00 0.00 C ATOM 3 C ASP A 1 -14.991 -11.263 8.111 1.00 0.00 C ATOM 4 O ASP A 1 -15.420 -10.423 7.346 1.00 0.00 O ATOM 5 CB ASP A 1 -14.313 -13.600 7.549 1.00 0.00 C ATOM 6 CG ASP A 1 -14.809 -15.038 7.384 1.00 0.00 C ATOM 7 OD1 ASP A 1 -15.827 -15.364 7.973 1.00 0.00 O ATOM 8 OD2 ASP A 1 -14.164 -15.788 6.671 1.00 0.00 O ATOM 0 H1 ASP A 1 -17.047 -13.760 7.185 1.00 0.00 H new ATOM 0 H2 ASP A 1 -17.312 -12.089 7.322 1.00 0.00 H new ATOM 0 H3 ASP A 1 -16.271 -12.687 6.122 1.00 0.00 H new ATOM 0 HA ASP A 1 -15.775 -13.046 9.029 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -13.931 -13.225 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -13.487 -13.568 8.260 1.00 0.00 H new ATOM 15 N SER A 2 -14.112 -10.959 9.026 1.00 0.00 N ATOM 16 CA SER A 2 -13.613 -9.560 9.147 1.00 0.00 C ATOM 17 C SER A 2 -13.263 -9.023 7.759 1.00 0.00 C ATOM 18 O SER A 2 -13.374 -7.843 7.494 1.00 0.00 O ATOM 19 CB SER A 2 -12.367 -9.539 10.029 1.00 0.00 C ATOM 20 OG SER A 2 -12.753 -9.444 11.393 1.00 0.00 O ATOM 0 H SER A 2 -13.717 -11.620 9.696 1.00 0.00 H new ATOM 0 HA SER A 2 -14.386 -8.935 9.595 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.780 -10.443 9.868 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.732 -8.695 9.760 1.00 0.00 H new ATOM 0 HG SER A 2 -13.533 -8.856 11.472 1.00 0.00 H new ATOM 26 N GLU A 3 -12.844 -9.882 6.870 1.00 0.00 N ATOM 27 CA GLU A 3 -12.495 -9.415 5.499 1.00 0.00 C ATOM 28 C GLU A 3 -13.664 -8.601 4.950 1.00 0.00 C ATOM 29 O GLU A 3 -13.494 -7.712 4.141 1.00 0.00 O ATOM 30 CB GLU A 3 -12.236 -10.621 4.593 1.00 0.00 C ATOM 31 CG GLU A 3 -10.731 -10.892 4.521 1.00 0.00 C ATOM 32 CD GLU A 3 -10.443 -11.886 3.393 1.00 0.00 C ATOM 33 OE1 GLU A 3 -11.288 -12.028 2.525 1.00 0.00 O ATOM 34 OE2 GLU A 3 -9.383 -12.490 3.418 1.00 0.00 O ATOM 0 H GLU A 3 -12.729 -10.882 7.033 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.596 -8.800 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -12.756 -11.498 4.979 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.630 -10.431 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.191 -9.961 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -10.377 -11.292 5.471 1.00 0.00 H new ATOM 41 N MET A 4 -14.853 -8.894 5.402 1.00 0.00 N ATOM 42 CA MET A 4 -16.040 -8.133 4.924 1.00 0.00 C ATOM 43 C MET A 4 -16.066 -6.774 5.622 1.00 0.00 C ATOM 44 O MET A 4 -16.620 -5.816 5.121 1.00 0.00 O ATOM 45 CB MET A 4 -17.315 -8.907 5.261 1.00 0.00 C ATOM 46 CG MET A 4 -17.269 -10.284 4.594 1.00 0.00 C ATOM 47 SD MET A 4 -18.822 -11.158 4.909 1.00 0.00 S ATOM 48 CE MET A 4 -19.900 -10.047 3.972 1.00 0.00 C ATOM 0 H MET A 4 -15.053 -9.628 6.082 1.00 0.00 H new ATOM 0 HA MET A 4 -15.982 -7.995 3.844 1.00 0.00 H new ATOM 0 HB2 MET A 4 -17.411 -9.018 6.341 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.190 -8.354 4.918 1.00 0.00 H new ATOM 0 HG2 MET A 4 -17.112 -10.175 3.521 1.00 0.00 H new ATOM 0 HG3 MET A 4 -16.429 -10.860 4.983 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.773 -10.597 3.621 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.222 -9.226 4.613 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.355 -9.647 3.117 1.00 0.00 H new ATOM 58 N CYS A 5 -15.460 -6.685 6.775 1.00 0.00 N ATOM 59 CA CYS A 5 -15.437 -5.391 7.509 1.00 0.00 C ATOM 60 C CYS A 5 -14.352 -4.496 6.909 1.00 0.00 C ATOM 61 O CYS A 5 -14.304 -3.309 7.157 1.00 0.00 O ATOM 62 CB CYS A 5 -15.131 -5.652 8.986 1.00 0.00 C ATOM 63 SG CYS A 5 -16.318 -6.851 9.644 1.00 0.00 S ATOM 0 H CYS A 5 -14.979 -7.455 7.240 1.00 0.00 H new ATOM 0 HA CYS A 5 -16.405 -4.898 7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -14.115 -6.031 9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -15.187 -4.721 9.550 1.00 0.00 H new ATOM 68 N LYS A 6 -13.479 -5.060 6.114 1.00 0.00 N ATOM 69 CA LYS A 6 -12.399 -4.243 5.492 1.00 0.00 C ATOM 70 C LYS A 6 -13.000 -2.951 4.933 1.00 0.00 C ATOM 71 O LYS A 6 -12.342 -1.932 4.852 1.00 0.00 O ATOM 72 CB LYS A 6 -11.747 -5.036 4.357 1.00 0.00 C ATOM 73 CG LYS A 6 -10.803 -6.089 4.943 1.00 0.00 C ATOM 74 CD LYS A 6 -9.776 -6.499 3.886 1.00 0.00 C ATOM 75 CE LYS A 6 -8.962 -7.690 4.398 1.00 0.00 C ATOM 76 NZ LYS A 6 -7.524 -7.308 4.487 1.00 0.00 N ATOM 0 H LYS A 6 -13.469 -6.050 5.870 1.00 0.00 H new ATOM 0 HA LYS A 6 -11.646 -4.001 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -12.513 -5.518 3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.195 -4.364 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.297 -5.690 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.371 -6.960 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.281 -6.763 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.114 -5.662 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.328 -8.000 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.082 -8.541 3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.973 -8.112 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.175 -7.048 3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.419 -6.497 5.130 1.00 0.00 H new ATOM 90 N ASP A 7 -14.248 -2.984 4.555 1.00 0.00 N ATOM 91 CA ASP A 7 -14.896 -1.758 4.011 1.00 0.00 C ATOM 92 C ASP A 7 -15.922 -1.249 5.022 1.00 0.00 C ATOM 93 O ASP A 7 -16.921 -0.655 4.669 1.00 0.00 O ATOM 94 CB ASP A 7 -15.599 -2.092 2.693 1.00 0.00 C ATOM 95 CG ASP A 7 -14.558 -2.497 1.648 1.00 0.00 C ATOM 96 OD1 ASP A 7 -13.393 -2.197 1.854 1.00 0.00 O ATOM 97 OD2 ASP A 7 -14.942 -3.100 0.661 1.00 0.00 O ATOM 0 H ASP A 7 -14.848 -3.808 4.599 1.00 0.00 H new ATOM 0 HA ASP A 7 -14.142 -0.991 3.831 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -16.312 -2.902 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -16.166 -1.230 2.342 1.00 0.00 H new ATOM 102 N TYR A 8 -15.679 -1.488 6.281 1.00 0.00 N ATOM 103 CA TYR A 8 -16.632 -1.032 7.329 1.00 0.00 C ATOM 104 C TYR A 8 -16.417 0.454 7.618 1.00 0.00 C ATOM 105 O TYR A 8 -15.370 1.006 7.345 1.00 0.00 O ATOM 106 CB TYR A 8 -16.392 -1.835 8.608 1.00 0.00 C ATOM 107 CG TYR A 8 -17.704 -2.051 9.319 1.00 0.00 C ATOM 108 CD1 TYR A 8 -18.203 -1.066 10.179 1.00 0.00 C ATOM 109 CD2 TYR A 8 -18.420 -3.236 9.117 1.00 0.00 C ATOM 110 CE1 TYR A 8 -19.421 -1.267 10.839 1.00 0.00 C ATOM 111 CE2 TYR A 8 -19.638 -3.437 9.778 1.00 0.00 C ATOM 112 CZ TYR A 8 -20.139 -2.453 10.639 1.00 0.00 C ATOM 113 OH TYR A 8 -21.339 -2.651 11.289 1.00 0.00 O ATOM 0 H TYR A 8 -14.857 -1.982 6.630 1.00 0.00 H new ATOM 0 HA TYR A 8 -17.653 -1.185 6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.934 -2.794 8.367 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -15.697 -1.304 9.258 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -17.649 -0.152 10.333 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -18.034 -3.995 8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -19.807 -0.507 11.503 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -20.191 -4.352 9.624 1.00 0.00 H new ATOM 0 HH TYR A 8 -21.496 -3.612 11.400 1.00 0.00 H new ATOM 123 N ARG A 9 -17.402 1.102 8.176 1.00 0.00 N ATOM 124 CA ARG A 9 -17.261 2.550 8.497 1.00 0.00 C ATOM 125 C ARG A 9 -18.114 2.873 9.723 1.00 0.00 C ATOM 126 O ARG A 9 -19.327 2.800 9.686 1.00 0.00 O ATOM 127 CB ARG A 9 -17.735 3.392 7.313 1.00 0.00 C ATOM 128 CG ARG A 9 -16.529 3.826 6.477 1.00 0.00 C ATOM 129 CD ARG A 9 -16.919 5.021 5.605 1.00 0.00 C ATOM 130 NE ARG A 9 -16.345 4.851 4.241 1.00 0.00 N ATOM 131 CZ ARG A 9 -15.056 4.726 4.086 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.255 5.669 4.502 1.00 0.00 N ATOM 133 NH2 ARG A 9 -14.567 3.659 3.516 1.00 0.00 N ATOM 0 H ARG A 9 -18.301 0.690 8.424 1.00 0.00 H new ATOM 0 HA ARG A 9 -16.215 2.778 8.701 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -18.428 2.817 6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.277 4.268 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.698 4.094 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.190 3.000 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.004 5.103 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -16.553 5.945 6.052 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.960 4.832 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.637 6.503 4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.247 5.572 4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.193 2.922 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.559 3.562 3.395 1.00 0.00 H new ATOM 147 N VAL A 10 -17.491 3.226 10.810 1.00 0.00 N ATOM 148 CA VAL A 10 -18.263 3.549 12.042 1.00 0.00 C ATOM 149 C VAL A 10 -18.004 5.000 12.444 1.00 0.00 C ATOM 150 O VAL A 10 -16.960 5.557 12.168 1.00 0.00 O ATOM 151 CB VAL A 10 -17.822 2.619 13.175 1.00 0.00 C ATOM 152 CG1 VAL A 10 -18.597 2.959 14.449 1.00 0.00 C ATOM 153 CG2 VAL A 10 -18.102 1.168 12.781 1.00 0.00 C ATOM 0 H VAL A 10 -16.478 3.305 10.900 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.327 3.412 11.850 1.00 0.00 H new ATOM 0 HB VAL A 10 -16.755 2.749 13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -18.282 2.296 15.255 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -18.398 3.993 14.731 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.665 2.831 14.271 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.788 0.505 13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.169 1.040 12.600 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.548 0.924 11.874 1.00 0.00 H new ATOM 163 N LEU A 11 -18.949 5.617 13.097 1.00 0.00 N ATOM 164 CA LEU A 11 -18.767 7.031 13.525 1.00 0.00 C ATOM 165 C LEU A 11 -19.118 7.151 15.009 1.00 0.00 C ATOM 166 O LEU A 11 -19.619 6.222 15.611 1.00 0.00 O ATOM 167 CB LEU A 11 -19.694 7.928 12.701 1.00 0.00 C ATOM 168 CG LEU A 11 -18.900 8.570 11.560 1.00 0.00 C ATOM 169 CD1 LEU A 11 -19.532 8.186 10.221 1.00 0.00 C ATOM 170 CD2 LEU A 11 -18.919 10.092 11.715 1.00 0.00 C ATOM 0 H LEU A 11 -19.844 5.200 13.354 1.00 0.00 H new ATOM 0 HA LEU A 11 -17.733 7.339 13.369 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.521 7.343 12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -20.129 8.700 13.335 1.00 0.00 H new ATOM 0 HG LEU A 11 -17.870 8.216 11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.968 8.643 9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -19.517 7.102 10.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -20.563 8.540 10.190 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -18.353 10.548 10.902 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -19.949 10.448 11.685 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -18.468 10.366 12.669 1.00 0.00 H new ATOM 182 N PRO A 12 -18.853 8.320 15.611 1.00 0.00 N ATOM 183 CA PRO A 12 -19.145 8.562 17.030 1.00 0.00 C ATOM 184 C PRO A 12 -20.651 8.556 17.308 1.00 0.00 C ATOM 185 O PRO A 12 -21.087 8.328 18.418 1.00 0.00 O ATOM 186 CB PRO A 12 -18.566 9.955 17.281 1.00 0.00 C ATOM 187 CG PRO A 12 -18.560 10.600 15.937 1.00 0.00 C ATOM 188 CD PRO A 12 -18.253 9.500 14.964 1.00 0.00 C ATOM 0 HA PRO A 12 -18.723 7.791 17.675 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -19.175 10.517 17.989 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -17.561 9.898 17.699 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.524 11.059 15.718 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -17.811 11.390 15.885 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -18.691 9.692 13.985 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -17.180 9.379 14.815 1.00 0.00 H new ATOM 196 N ARG A 13 -21.449 8.801 16.304 1.00 0.00 N ATOM 197 CA ARG A 13 -22.926 8.807 16.508 1.00 0.00 C ATOM 198 C ARG A 13 -23.541 7.571 15.844 1.00 0.00 C ATOM 199 O ARG A 13 -24.588 7.100 16.240 1.00 0.00 O ATOM 200 CB ARG A 13 -23.525 10.066 15.876 1.00 0.00 C ATOM 201 CG ARG A 13 -23.036 11.302 16.632 1.00 0.00 C ATOM 202 CD ARG A 13 -23.693 12.551 16.040 1.00 0.00 C ATOM 203 NE ARG A 13 -23.078 13.768 16.641 1.00 0.00 N ATOM 204 CZ ARG A 13 -23.582 14.946 16.390 1.00 0.00 C ATOM 205 NH1 ARG A 13 -24.339 15.122 15.342 1.00 0.00 N ATOM 206 NH2 ARG A 13 -23.328 15.947 17.188 1.00 0.00 N ATOM 0 H ARG A 13 -21.142 8.997 15.351 1.00 0.00 H new ATOM 0 HA ARG A 13 -23.141 8.794 17.577 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -23.236 10.131 14.827 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -24.614 10.017 15.905 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -23.281 11.215 17.691 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -21.951 11.380 16.561 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -23.566 12.563 14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -24.765 12.538 16.235 1.00 0.00 H new ATOM 0 HE ARG A 13 -22.263 13.681 17.248 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -24.537 14.339 14.719 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -24.733 16.042 15.146 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -22.736 15.809 18.007 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -23.721 16.868 16.993 1.00 0.00 H new ATOM 220 N ILE A 14 -22.902 7.045 14.835 1.00 0.00 N ATOM 221 CA ILE A 14 -23.457 5.845 14.147 1.00 0.00 C ATOM 222 C ILE A 14 -23.122 4.589 14.953 1.00 0.00 C ATOM 223 O ILE A 14 -23.984 3.790 15.262 1.00 0.00 O ATOM 224 CB ILE A 14 -22.846 5.730 12.747 1.00 0.00 C ATOM 225 CG1 ILE A 14 -23.194 6.981 11.935 1.00 0.00 C ATOM 226 CG2 ILE A 14 -23.411 4.494 12.044 1.00 0.00 C ATOM 227 CD1 ILE A 14 -24.692 7.270 12.061 1.00 0.00 C ATOM 0 H ILE A 14 -22.021 7.394 14.458 1.00 0.00 H new ATOM 0 HA ILE A 14 -24.539 5.945 14.065 1.00 0.00 H new ATOM 0 HB ILE A 14 -21.763 5.638 12.829 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -22.617 7.833 12.294 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -22.928 6.834 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -22.977 4.412 11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -23.166 3.603 12.622 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -24.494 4.586 11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -24.941 8.160 11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -25.260 6.421 11.681 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -24.944 7.435 13.109 1.00 0.00 H new ATOM 239 N GLY A 15 -21.876 4.407 15.296 1.00 0.00 N ATOM 240 CA GLY A 15 -21.490 3.201 16.080 1.00 0.00 C ATOM 241 C GLY A 15 -21.268 2.024 15.128 1.00 0.00 C ATOM 242 O GLY A 15 -21.174 2.194 13.929 1.00 0.00 O ATOM 0 H GLY A 15 -21.110 5.041 15.067 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.581 3.399 16.649 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.270 2.957 16.801 1.00 0.00 H new ATOM 246 N TYR A 16 -21.185 0.830 15.651 1.00 0.00 N ATOM 247 CA TYR A 16 -20.970 -0.354 14.770 1.00 0.00 C ATOM 248 C TYR A 16 -22.308 -1.057 14.526 1.00 0.00 C ATOM 249 O TYR A 16 -23.186 -1.052 15.366 1.00 0.00 O ATOM 250 CB TYR A 16 -19.998 -1.326 15.444 1.00 0.00 C ATOM 251 CG TYR A 16 -19.116 -1.960 14.393 1.00 0.00 C ATOM 252 CD1 TYR A 16 -19.547 -3.110 13.720 1.00 0.00 C ATOM 253 CD2 TYR A 16 -17.872 -1.397 14.090 1.00 0.00 C ATOM 254 CE1 TYR A 16 -18.733 -3.695 12.742 1.00 0.00 C ATOM 255 CE2 TYR A 16 -17.057 -1.982 13.114 1.00 0.00 C ATOM 256 CZ TYR A 16 -17.488 -3.131 12.439 1.00 0.00 C ATOM 257 OH TYR A 16 -16.687 -3.706 11.473 1.00 0.00 O ATOM 0 H TYR A 16 -21.257 0.624 16.647 1.00 0.00 H new ATOM 0 HA TYR A 16 -20.552 -0.026 13.818 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -19.388 -0.798 16.177 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -20.551 -2.095 15.984 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.507 -3.546 13.955 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.540 -0.510 14.610 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -19.066 -4.581 12.222 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -16.096 -1.547 12.881 1.00 0.00 H new ATOM 0 HH TYR A 16 -17.126 -3.636 10.600 1.00 0.00 H new ATOM 267 N LEU A 17 -22.470 -1.662 13.380 1.00 0.00 N ATOM 268 CA LEU A 17 -23.751 -2.365 13.081 1.00 0.00 C ATOM 269 C LEU A 17 -23.505 -3.874 13.019 1.00 0.00 C ATOM 270 O LEU A 17 -22.721 -4.352 12.223 1.00 0.00 O ATOM 271 CB LEU A 17 -24.296 -1.881 11.736 1.00 0.00 C ATOM 272 CG LEU A 17 -25.766 -2.285 11.602 1.00 0.00 C ATOM 273 CD1 LEU A 17 -25.873 -3.809 11.515 1.00 0.00 C ATOM 274 CD2 LEU A 17 -26.547 -1.789 12.822 1.00 0.00 C ATOM 0 H LEU A 17 -21.771 -1.700 12.638 1.00 0.00 H new ATOM 0 HA LEU A 17 -24.475 -2.148 13.866 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -24.198 -0.798 11.661 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.714 -2.311 10.921 1.00 0.00 H new ATOM 0 HG LEU A 17 -26.182 -1.839 10.698 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -26.920 -4.095 11.420 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -25.319 -4.164 10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -25.456 -4.255 12.418 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -27.594 -2.077 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -26.130 -2.233 13.726 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.474 -0.703 12.884 1.00 0.00 H new ATOM 286 N CYS A 18 -24.172 -4.627 13.851 1.00 0.00 N ATOM 287 CA CYS A 18 -23.982 -6.105 13.839 1.00 0.00 C ATOM 288 C CYS A 18 -25.347 -6.792 13.887 1.00 0.00 C ATOM 289 O CYS A 18 -26.323 -6.223 14.336 1.00 0.00 O ATOM 290 CB CYS A 18 -23.157 -6.525 15.057 1.00 0.00 C ATOM 291 SG CYS A 18 -21.541 -5.711 14.997 1.00 0.00 S ATOM 0 H CYS A 18 -24.841 -4.282 14.539 1.00 0.00 H new ATOM 0 HA CYS A 18 -23.458 -6.397 12.929 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -23.679 -6.254 15.975 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -23.031 -7.608 15.069 1.00 0.00 H new ATOM 296 N PRO A 19 -25.411 -8.044 13.412 1.00 0.00 N ATOM 297 CA PRO A 19 -26.655 -8.824 13.395 1.00 0.00 C ATOM 298 C PRO A 19 -27.088 -9.231 14.805 1.00 0.00 C ATOM 299 O PRO A 19 -26.334 -9.124 15.752 1.00 0.00 O ATOM 300 CB PRO A 19 -26.287 -10.065 12.583 1.00 0.00 C ATOM 301 CG PRO A 19 -24.810 -10.195 12.743 1.00 0.00 C ATOM 302 CD PRO A 19 -24.275 -8.796 12.856 1.00 0.00 C ATOM 0 HA PRO A 19 -27.488 -8.258 12.979 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -26.805 -10.949 12.954 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -26.564 -9.949 11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -24.565 -10.778 13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -24.370 -10.712 11.890 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -23.404 -8.750 13.509 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -23.968 -8.403 11.887 1.00 0.00 H new ATOM 310 N LYS A 20 -28.297 -9.698 14.952 1.00 0.00 N ATOM 311 CA LYS A 20 -28.775 -10.111 16.301 1.00 0.00 C ATOM 312 C LYS A 20 -28.515 -11.606 16.499 1.00 0.00 C ATOM 313 O LYS A 20 -28.726 -12.145 17.568 1.00 0.00 O ATOM 314 CB LYS A 20 -30.276 -9.832 16.419 1.00 0.00 C ATOM 315 CG LYS A 20 -30.533 -8.338 16.215 1.00 0.00 C ATOM 316 CD LYS A 20 -32.029 -8.052 16.360 1.00 0.00 C ATOM 317 CE LYS A 20 -32.302 -6.582 16.030 1.00 0.00 C ATOM 318 NZ LYS A 20 -31.402 -5.715 16.842 1.00 0.00 N ATOM 0 H LYS A 20 -28.974 -9.811 14.197 1.00 0.00 H new ATOM 0 HA LYS A 20 -28.240 -9.546 17.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -30.824 -10.411 15.676 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -30.639 -10.144 17.398 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -29.969 -7.758 16.946 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -30.187 -8.030 15.228 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -32.600 -8.698 15.693 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -32.356 -8.275 17.376 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -32.138 -6.400 14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -33.344 -6.339 16.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -31.871 -4.806 17.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -31.187 -6.186 17.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -30.518 -5.547 16.320 1.00 0.00 H new ATOM 332 N ASP A 21 -28.056 -12.282 15.481 1.00 0.00 N ATOM 333 CA ASP A 21 -27.781 -13.739 15.619 1.00 0.00 C ATOM 334 C ASP A 21 -26.481 -13.937 16.401 1.00 0.00 C ATOM 335 O ASP A 21 -25.406 -13.644 15.917 1.00 0.00 O ATOM 336 CB ASP A 21 -27.642 -14.369 14.234 1.00 0.00 C ATOM 337 CG ASP A 21 -27.569 -15.891 14.372 1.00 0.00 C ATOM 338 OD1 ASP A 21 -27.722 -16.372 15.483 1.00 0.00 O ATOM 339 OD2 ASP A 21 -27.361 -16.549 13.366 1.00 0.00 O ATOM 0 H ASP A 21 -27.860 -11.888 14.561 1.00 0.00 H new ATOM 0 HA ASP A 21 -28.605 -14.215 16.151 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -28.490 -14.090 13.609 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -26.745 -13.994 13.740 1.00 0.00 H new ATOM 344 N LEU A 22 -26.571 -14.431 17.603 1.00 0.00 N ATOM 345 CA LEU A 22 -25.340 -14.646 18.412 1.00 0.00 C ATOM 346 C LEU A 22 -24.584 -15.862 17.876 1.00 0.00 C ATOM 347 O LEU A 22 -25.107 -16.958 17.825 1.00 0.00 O ATOM 348 CB LEU A 22 -25.728 -14.884 19.873 1.00 0.00 C ATOM 349 CG LEU A 22 -24.470 -14.920 20.747 1.00 0.00 C ATOM 350 CD1 LEU A 22 -23.725 -16.237 20.518 1.00 0.00 C ATOM 351 CD2 LEU A 22 -23.558 -13.746 20.382 1.00 0.00 C ATOM 0 H LEU A 22 -27.444 -14.695 18.060 1.00 0.00 H new ATOM 0 HA LEU A 22 -24.700 -13.766 18.346 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -26.396 -14.093 20.214 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -26.273 -15.824 19.965 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.756 -14.843 21.796 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.830 -16.262 21.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.374 -17.072 20.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.440 -16.316 19.469 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.664 -13.773 21.004 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.272 -13.820 19.333 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.088 -12.808 20.549 1.00 0.00 H new ATOM 363 N LYS A 23 -23.356 -15.678 17.472 1.00 0.00 N ATOM 364 CA LYS A 23 -22.568 -16.826 16.940 1.00 0.00 C ATOM 365 C LYS A 23 -21.097 -16.657 17.322 1.00 0.00 C ATOM 366 O LYS A 23 -20.418 -15.774 16.838 1.00 0.00 O ATOM 367 CB LYS A 23 -22.700 -16.874 15.417 1.00 0.00 C ATOM 368 CG LYS A 23 -24.152 -17.179 15.039 1.00 0.00 C ATOM 369 CD LYS A 23 -24.259 -17.359 13.523 1.00 0.00 C ATOM 370 CE LYS A 23 -23.453 -18.587 13.097 1.00 0.00 C ATOM 371 NZ LYS A 23 -22.357 -18.167 12.178 1.00 0.00 N ATOM 0 H LYS A 23 -22.865 -14.784 17.487 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.948 -17.755 17.366 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -22.393 -15.922 14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -22.039 -17.638 15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.489 -18.082 15.548 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -24.802 -16.368 15.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -25.303 -17.478 13.233 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.885 -16.471 13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -23.037 -19.084 13.973 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -24.103 -19.307 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.808 -19.001 11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -22.765 -17.711 11.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.732 -17.495 12.667 1.00 0.00 H new ATOM 385 N PRO A 24 -20.600 -17.528 18.213 1.00 0.00 N ATOM 386 CA PRO A 24 -19.204 -17.492 18.678 1.00 0.00 C ATOM 387 C PRO A 24 -18.211 -17.807 17.558 1.00 0.00 C ATOM 388 O PRO A 24 -18.290 -18.833 16.916 1.00 0.00 O ATOM 389 CB PRO A 24 -19.158 -18.590 19.744 1.00 0.00 C ATOM 390 CG PRO A 24 -20.269 -19.511 19.372 1.00 0.00 C ATOM 391 CD PRO A 24 -21.357 -18.627 18.836 1.00 0.00 C ATOM 0 HA PRO A 24 -18.923 -16.505 19.045 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -18.197 -19.105 19.743 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -19.299 -18.180 20.744 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.946 -20.234 18.623 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.614 -20.079 20.236 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -21.984 -19.149 18.113 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -22.015 -18.268 19.628 1.00 0.00 H new ATOM 399 N VAL A 25 -17.273 -16.929 17.320 1.00 0.00 N ATOM 400 CA VAL A 25 -16.271 -17.183 16.244 1.00 0.00 C ATOM 401 C VAL A 25 -14.879 -17.298 16.861 1.00 0.00 C ATOM 402 O VAL A 25 -14.600 -16.739 17.904 1.00 0.00 O ATOM 403 CB VAL A 25 -16.276 -16.029 15.242 1.00 0.00 C ATOM 404 CG1 VAL A 25 -17.667 -15.887 14.625 1.00 0.00 C ATOM 405 CG2 VAL A 25 -15.897 -14.731 15.957 1.00 0.00 C ATOM 0 H VAL A 25 -17.157 -16.049 17.823 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.529 -18.110 15.732 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.553 -16.234 14.453 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -17.666 -15.063 13.911 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.934 -16.811 14.112 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.395 -15.685 15.411 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -15.900 -13.908 15.243 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -16.618 -14.528 16.749 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.902 -14.831 16.390 1.00 0.00 H new ATOM 415 N CYS A 26 -13.997 -18.010 16.217 1.00 0.00 N ATOM 416 CA CYS A 26 -12.616 -18.155 16.756 1.00 0.00 C ATOM 417 C CYS A 26 -11.689 -17.184 16.023 1.00 0.00 C ATOM 418 O CYS A 26 -11.537 -17.250 14.821 1.00 0.00 O ATOM 419 CB CYS A 26 -12.129 -19.590 16.544 1.00 0.00 C ATOM 420 SG CYS A 26 -10.439 -19.746 17.168 1.00 0.00 S ATOM 0 H CYS A 26 -14.173 -18.499 15.339 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.613 -17.931 17.823 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -12.786 -20.289 17.061 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.163 -19.845 15.485 1.00 0.00 H new ATOM 425 N GLY A 27 -11.077 -16.276 16.732 1.00 0.00 N ATOM 426 CA GLY A 27 -10.170 -15.295 16.068 1.00 0.00 C ATOM 427 C GLY A 27 -8.835 -15.964 15.727 1.00 0.00 C ATOM 428 O GLY A 27 -8.302 -16.738 16.497 1.00 0.00 O ATOM 0 H GLY A 27 -11.165 -16.170 17.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.637 -14.912 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.001 -14.441 16.724 1.00 0.00 H new ATOM 432 N ASP A 28 -8.290 -15.666 14.578 1.00 0.00 N ATOM 433 CA ASP A 28 -6.987 -16.279 14.188 1.00 0.00 C ATOM 434 C ASP A 28 -5.874 -15.707 15.065 1.00 0.00 C ATOM 435 O ASP A 28 -4.765 -16.203 15.080 1.00 0.00 O ATOM 436 CB ASP A 28 -6.692 -15.968 12.718 1.00 0.00 C ATOM 437 CG ASP A 28 -6.595 -14.454 12.525 1.00 0.00 C ATOM 438 OD1 ASP A 28 -6.518 -13.752 13.521 1.00 0.00 O ATOM 439 OD2 ASP A 28 -6.597 -14.020 11.385 1.00 0.00 O ATOM 0 H ASP A 28 -8.690 -15.025 13.893 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.039 -17.359 14.324 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.760 -16.444 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.479 -16.376 12.084 1.00 0.00 H new ATOM 444 N ASP A 29 -6.163 -14.668 15.798 1.00 0.00 N ATOM 445 CA ASP A 29 -5.123 -14.066 16.678 1.00 0.00 C ATOM 446 C ASP A 29 -5.043 -14.855 17.986 1.00 0.00 C ATOM 447 O ASP A 29 -4.365 -14.466 18.915 1.00 0.00 O ATOM 448 CB ASP A 29 -5.494 -12.614 16.980 1.00 0.00 C ATOM 449 CG ASP A 29 -5.279 -11.763 15.727 1.00 0.00 C ATOM 450 OD1 ASP A 29 -4.881 -12.320 14.718 1.00 0.00 O ATOM 451 OD2 ASP A 29 -5.515 -10.568 15.798 1.00 0.00 O ATOM 0 H ASP A 29 -7.074 -14.210 15.826 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.156 -14.098 16.176 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.534 -12.552 17.301 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.884 -12.234 17.800 1.00 0.00 H new ATOM 456 N GLY A 30 -5.731 -15.962 18.066 1.00 0.00 N ATOM 457 CA GLY A 30 -5.695 -16.774 19.314 1.00 0.00 C ATOM 458 C GLY A 30 -6.786 -16.284 20.268 1.00 0.00 C ATOM 459 O GLY A 30 -6.809 -16.633 21.431 1.00 0.00 O ATOM 0 H GLY A 30 -6.316 -16.338 17.320 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.847 -17.828 19.080 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.717 -16.690 19.788 1.00 0.00 H new ATOM 463 N GLN A 31 -7.689 -15.476 19.784 1.00 0.00 N ATOM 464 CA GLN A 31 -8.777 -14.963 20.661 1.00 0.00 C ATOM 465 C GLN A 31 -10.130 -15.431 20.124 1.00 0.00 C ATOM 466 O GLN A 31 -10.228 -15.969 19.040 1.00 0.00 O ATOM 467 CB GLN A 31 -8.734 -13.433 20.681 1.00 0.00 C ATOM 468 CG GLN A 31 -7.457 -12.969 21.383 1.00 0.00 C ATOM 469 CD GLN A 31 -7.326 -11.450 21.257 1.00 0.00 C ATOM 470 OE1 GLN A 31 -8.061 -10.824 20.517 1.00 0.00 O ATOM 471 NE2 GLN A 31 -6.415 -10.826 21.952 1.00 0.00 N ATOM 0 H GLN A 31 -7.720 -15.149 18.818 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.640 -15.344 21.673 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.764 -13.044 19.663 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.609 -13.040 21.198 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.483 -13.256 22.434 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.589 -13.457 20.941 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.799 -11.351 22.573 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.319 -9.813 21.875 1.00 0.00 H new ATOM 480 N THR A 32 -11.175 -15.229 20.878 1.00 0.00 N ATOM 481 CA THR A 32 -12.525 -15.662 20.417 1.00 0.00 C ATOM 482 C THR A 32 -13.509 -14.501 20.576 1.00 0.00 C ATOM 483 O THR A 32 -13.536 -13.834 21.591 1.00 0.00 O ATOM 484 CB THR A 32 -12.994 -16.846 21.266 1.00 0.00 C ATOM 485 OG1 THR A 32 -12.078 -17.922 21.123 1.00 0.00 O ATOM 486 CG2 THR A 32 -14.382 -17.289 20.806 1.00 0.00 C ATOM 0 H THR A 32 -11.153 -14.782 21.795 1.00 0.00 H new ATOM 0 HA THR A 32 -12.477 -15.960 19.370 1.00 0.00 H new ATOM 0 HB THR A 32 -13.041 -16.546 22.313 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.548 -17.794 20.309 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.714 -18.132 21.412 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.084 -16.463 20.919 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.340 -17.589 19.759 1.00 0.00 H new ATOM 494 N TYR A 33 -14.317 -14.252 19.583 1.00 0.00 N ATOM 495 CA TYR A 33 -15.294 -13.133 19.687 1.00 0.00 C ATOM 496 C TYR A 33 -16.713 -13.702 19.734 1.00 0.00 C ATOM 497 O TYR A 33 -17.110 -14.482 18.890 1.00 0.00 O ATOM 498 CB TYR A 33 -15.143 -12.212 18.476 1.00 0.00 C ATOM 499 CG TYR A 33 -13.713 -11.735 18.389 1.00 0.00 C ATOM 500 CD1 TYR A 33 -12.728 -12.571 17.849 1.00 0.00 C ATOM 501 CD2 TYR A 33 -13.369 -10.459 18.853 1.00 0.00 C ATOM 502 CE1 TYR A 33 -11.400 -12.133 17.772 1.00 0.00 C ATOM 503 CE2 TYR A 33 -12.040 -10.020 18.775 1.00 0.00 C ATOM 504 CZ TYR A 33 -11.056 -10.857 18.236 1.00 0.00 C ATOM 505 OH TYR A 33 -9.748 -10.425 18.160 1.00 0.00 O ATOM 0 H TYR A 33 -14.343 -14.773 18.707 1.00 0.00 H new ATOM 0 HA TYR A 33 -15.105 -12.563 20.597 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -15.418 -12.742 17.564 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -15.818 -11.361 18.565 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -12.993 -13.555 17.491 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -14.127 -9.814 19.271 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.641 -12.779 17.355 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.775 -9.035 19.131 1.00 0.00 H new ATOM 0 HH TYR A 33 -9.292 -10.613 19.007 1.00 0.00 H new ATOM 515 N ASN A 34 -17.476 -13.325 20.722 1.00 0.00 N ATOM 516 CA ASN A 34 -18.866 -13.849 20.836 1.00 0.00 C ATOM 517 C ASN A 34 -19.588 -13.716 19.493 1.00 0.00 C ATOM 518 O ASN A 34 -19.701 -14.665 18.745 1.00 0.00 O ATOM 519 CB ASN A 34 -19.620 -13.066 21.915 1.00 0.00 C ATOM 520 CG ASN A 34 -20.979 -13.720 22.165 1.00 0.00 C ATOM 521 OD1 ASN A 34 -21.319 -14.701 21.534 1.00 0.00 O ATOM 522 ND2 ASN A 34 -21.776 -13.215 23.066 1.00 0.00 N ATOM 0 H ASN A 34 -17.196 -12.675 21.457 1.00 0.00 H new ATOM 0 HA ASN A 34 -18.832 -14.903 21.113 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -19.039 -13.046 22.837 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -19.755 -12.031 21.601 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -22.685 -13.644 23.241 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -21.490 -12.391 23.596 1.00 0.00 H new ATOM 529 N ASN A 35 -20.080 -12.554 19.176 1.00 0.00 N ATOM 530 CA ASN A 35 -20.794 -12.377 17.881 1.00 0.00 C ATOM 531 C ASN A 35 -19.769 -12.192 16.757 1.00 0.00 C ATOM 532 O ASN A 35 -18.692 -11.674 16.971 1.00 0.00 O ATOM 533 CB ASN A 35 -21.709 -11.150 17.981 1.00 0.00 C ATOM 534 CG ASN A 35 -22.103 -10.658 16.587 1.00 0.00 C ATOM 535 OD1 ASN A 35 -21.270 -10.195 15.835 1.00 0.00 O ATOM 536 ND2 ASN A 35 -23.351 -10.740 16.210 1.00 0.00 N ATOM 0 H ASN A 35 -20.019 -11.718 19.757 1.00 0.00 H new ATOM 0 HA ASN A 35 -21.399 -13.256 17.660 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -22.604 -11.402 18.550 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -21.200 -10.353 18.524 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -23.626 -10.415 15.283 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -24.050 -11.129 16.842 1.00 0.00 H new ATOM 543 N PRO A 36 -20.114 -12.631 15.533 1.00 0.00 N ATOM 544 CA PRO A 36 -19.223 -12.521 14.369 1.00 0.00 C ATOM 545 C PRO A 36 -18.918 -11.062 14.020 1.00 0.00 C ATOM 546 O PRO A 36 -17.772 -10.664 13.941 1.00 0.00 O ATOM 547 CB PRO A 36 -20.020 -13.193 13.247 1.00 0.00 C ATOM 548 CG PRO A 36 -21.438 -13.081 13.688 1.00 0.00 C ATOM 549 CD PRO A 36 -21.398 -13.261 15.178 1.00 0.00 C ATOM 0 HA PRO A 36 -18.251 -12.982 14.546 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -19.860 -12.694 12.291 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -19.724 -14.234 13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -21.860 -12.113 13.419 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -22.059 -13.842 13.215 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -22.240 -12.774 15.670 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -21.428 -14.313 15.462 1.00 0.00 H new ATOM 557 N CYS A 37 -19.925 -10.257 13.823 1.00 0.00 N ATOM 558 CA CYS A 37 -19.670 -8.827 13.498 1.00 0.00 C ATOM 559 C CYS A 37 -18.951 -8.181 14.684 1.00 0.00 C ATOM 560 O CYS A 37 -18.188 -7.248 14.531 1.00 0.00 O ATOM 561 CB CYS A 37 -21.002 -8.116 13.250 1.00 0.00 C ATOM 562 SG CYS A 37 -20.751 -6.323 13.241 1.00 0.00 S ATOM 0 H CYS A 37 -20.908 -10.526 13.873 1.00 0.00 H new ATOM 0 HA CYS A 37 -19.054 -8.747 12.602 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -21.424 -8.438 12.298 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -21.719 -8.388 14.025 1.00 0.00 H new ATOM 567 N MET A 38 -19.186 -8.683 15.865 1.00 0.00 N ATOM 568 CA MET A 38 -18.514 -8.117 17.066 1.00 0.00 C ATOM 569 C MET A 38 -17.003 -8.302 16.921 1.00 0.00 C ATOM 570 O MET A 38 -16.219 -7.706 17.634 1.00 0.00 O ATOM 571 CB MET A 38 -19.004 -8.856 18.314 1.00 0.00 C ATOM 572 CG MET A 38 -20.295 -8.210 18.821 1.00 0.00 C ATOM 573 SD MET A 38 -19.949 -6.520 19.371 1.00 0.00 S ATOM 574 CE MET A 38 -18.828 -6.946 20.727 1.00 0.00 C ATOM 0 H MET A 38 -19.817 -9.463 16.049 1.00 0.00 H new ATOM 0 HA MET A 38 -18.747 -7.056 17.159 1.00 0.00 H new ATOM 0 HB2 MET A 38 -19.178 -9.907 18.082 1.00 0.00 H new ATOM 0 HB3 MET A 38 -18.240 -8.824 19.091 1.00 0.00 H new ATOM 0 HG2 MET A 38 -21.044 -8.200 18.030 1.00 0.00 H new ATOM 0 HG3 MET A 38 -20.708 -8.794 19.643 1.00 0.00 H new ATOM 0 HE1 MET A 38 -19.026 -6.297 21.580 1.00 0.00 H new ATOM 0 HE2 MET A 38 -18.985 -7.985 21.017 1.00 0.00 H new ATOM 0 HE3 MET A 38 -17.796 -6.812 20.402 1.00 0.00 H new ATOM 584 N LEU A 39 -16.591 -9.128 15.998 1.00 0.00 N ATOM 585 CA LEU A 39 -15.137 -9.364 15.792 1.00 0.00 C ATOM 586 C LEU A 39 -14.492 -8.102 15.229 1.00 0.00 C ATOM 587 O LEU A 39 -13.513 -7.609 15.754 1.00 0.00 O ATOM 588 CB LEU A 39 -14.957 -10.521 14.807 1.00 0.00 C ATOM 589 CG LEU A 39 -13.503 -10.582 14.339 1.00 0.00 C ATOM 590 CD1 LEU A 39 -12.609 -11.017 15.501 1.00 0.00 C ATOM 591 CD2 LEU A 39 -13.375 -11.590 13.194 1.00 0.00 C ATOM 0 H LEU A 39 -17.205 -9.652 15.375 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.663 -9.614 16.741 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -15.235 -11.462 15.282 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.619 -10.388 13.951 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.194 -9.596 13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.573 -11.060 15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.697 -10.299 16.317 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -12.919 -12.002 15.850 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.338 -11.633 12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -13.686 -12.576 13.541 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -14.010 -11.280 12.364 1.00 0.00 H new ATOM 603 N CYS A 40 -15.035 -7.562 14.178 1.00 0.00 N ATOM 604 CA CYS A 40 -14.444 -6.322 13.613 1.00 0.00 C ATOM 605 C CYS A 40 -14.669 -5.187 14.612 1.00 0.00 C ATOM 606 O CYS A 40 -14.014 -4.165 14.571 1.00 0.00 O ATOM 607 CB CYS A 40 -15.101 -5.980 12.273 1.00 0.00 C ATOM 608 SG CYS A 40 -15.473 -7.499 11.361 1.00 0.00 S ATOM 0 H CYS A 40 -15.855 -7.921 13.689 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.378 -6.465 13.439 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -16.017 -5.414 12.442 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.438 -5.346 11.685 1.00 0.00 H new ATOM 613 N HIS A 41 -15.586 -5.375 15.524 1.00 0.00 N ATOM 614 CA HIS A 41 -15.854 -4.328 16.547 1.00 0.00 C ATOM 615 C HIS A 41 -14.704 -4.311 17.551 1.00 0.00 C ATOM 616 O HIS A 41 -14.070 -3.297 17.767 1.00 0.00 O ATOM 617 CB HIS A 41 -17.155 -4.659 17.275 1.00 0.00 C ATOM 618 CG HIS A 41 -17.654 -3.439 17.999 1.00 0.00 C ATOM 619 ND1 HIS A 41 -17.942 -2.253 17.341 1.00 0.00 N ATOM 620 CD2 HIS A 41 -17.918 -3.204 19.326 1.00 0.00 C ATOM 621 CE1 HIS A 41 -18.359 -1.367 18.265 1.00 0.00 C ATOM 622 NE2 HIS A 41 -18.363 -1.896 19.492 1.00 0.00 N ATOM 0 H HIS A 41 -16.162 -6.213 15.603 1.00 0.00 H new ATOM 0 HA HIS A 41 -15.941 -3.353 16.068 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -17.905 -5.003 16.562 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -16.991 -5.472 17.982 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -17.854 -2.083 16.339 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -17.798 -3.925 20.121 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -18.654 -0.352 18.042 1.00 0.00 H new ATOM 630 N GLU A 42 -14.418 -5.431 18.159 1.00 0.00 N ATOM 631 CA GLU A 42 -13.296 -5.473 19.134 1.00 0.00 C ATOM 632 C GLU A 42 -12.000 -5.175 18.386 1.00 0.00 C ATOM 633 O GLU A 42 -10.998 -4.805 18.968 1.00 0.00 O ATOM 634 CB GLU A 42 -13.220 -6.863 19.770 1.00 0.00 C ATOM 635 CG GLU A 42 -12.155 -6.864 20.868 1.00 0.00 C ATOM 636 CD GLU A 42 -12.052 -8.265 21.474 1.00 0.00 C ATOM 637 OE1 GLU A 42 -12.818 -9.122 21.067 1.00 0.00 O ATOM 638 OE2 GLU A 42 -11.208 -8.457 22.334 1.00 0.00 O ATOM 0 H GLU A 42 -14.911 -6.313 18.022 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.452 -4.735 19.921 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.189 -7.137 20.188 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.977 -7.608 19.013 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.192 -6.562 20.456 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.413 -6.140 21.641 1.00 0.00 H new ATOM 645 N ASN A 43 -12.020 -5.324 17.089 1.00 0.00 N ATOM 646 CA ASN A 43 -10.799 -5.041 16.288 1.00 0.00 C ATOM 647 C ASN A 43 -10.614 -3.527 16.196 1.00 0.00 C ATOM 648 O ASN A 43 -9.508 -3.023 16.224 1.00 0.00 O ATOM 649 CB ASN A 43 -10.960 -5.630 14.885 1.00 0.00 C ATOM 650 CG ASN A 43 -11.003 -7.158 14.977 1.00 0.00 C ATOM 651 OD1 ASN A 43 -10.589 -7.730 15.966 1.00 0.00 O ATOM 652 ND2 ASN A 43 -11.491 -7.845 13.982 1.00 0.00 N ATOM 0 H ASN A 43 -12.831 -5.630 16.551 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.927 -5.491 16.763 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.875 -5.256 14.425 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.132 -5.316 14.250 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.525 -8.863 14.034 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.838 -7.364 13.152 1.00 0.00 H new ATOM 659 N LEU A 44 -11.692 -2.796 16.103 1.00 0.00 N ATOM 660 CA LEU A 44 -11.583 -1.314 16.028 1.00 0.00 C ATOM 661 C LEU A 44 -10.916 -0.803 17.306 1.00 0.00 C ATOM 662 O LEU A 44 -10.198 0.177 17.297 1.00 0.00 O ATOM 663 CB LEU A 44 -12.980 -0.701 15.906 1.00 0.00 C ATOM 664 CG LEU A 44 -13.562 -1.007 14.523 1.00 0.00 C ATOM 665 CD1 LEU A 44 -14.815 -0.158 14.301 1.00 0.00 C ATOM 666 CD2 LEU A 44 -12.527 -0.678 13.446 1.00 0.00 C ATOM 0 H LEU A 44 -12.643 -3.163 16.076 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.990 -1.032 15.158 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.632 -1.102 16.682 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.929 0.377 16.059 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.821 -2.064 14.464 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.231 -0.374 13.317 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -15.554 -0.393 15.067 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.554 0.899 14.360 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.943 -0.897 12.463 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.266 0.379 13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.633 -1.281 13.604 1.00 0.00 H new ATOM 678 N ILE A 45 -11.145 -1.469 18.406 1.00 0.00 N ATOM 679 CA ILE A 45 -10.523 -1.033 19.685 1.00 0.00 C ATOM 680 C ILE A 45 -9.048 -1.428 19.678 1.00 0.00 C ATOM 681 O ILE A 45 -8.188 -0.664 20.070 1.00 0.00 O ATOM 682 CB ILE A 45 -11.229 -1.715 20.861 1.00 0.00 C ATOM 683 CG1 ILE A 45 -12.728 -1.823 20.566 1.00 0.00 C ATOM 684 CG2 ILE A 45 -11.020 -0.885 22.128 1.00 0.00 C ATOM 685 CD1 ILE A 45 -13.251 -0.469 20.087 1.00 0.00 C ATOM 0 H ILE A 45 -11.737 -2.297 18.472 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.617 0.048 19.790 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.814 -2.713 21.004 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.906 -2.583 19.806 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -13.264 -2.136 21.462 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.522 -1.368 22.966 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.954 -0.806 22.340 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.436 0.112 21.982 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -14.318 -0.545 19.877 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.086 0.280 20.862 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.722 -0.175 19.180 1.00 0.00 H new ATOM 697 N ARG A 46 -8.748 -2.614 19.226 1.00 0.00 N ATOM 698 CA ARG A 46 -7.327 -3.054 19.182 1.00 0.00 C ATOM 699 C ARG A 46 -6.655 -2.449 17.947 1.00 0.00 C ATOM 700 O ARG A 46 -5.445 -2.390 17.850 1.00 0.00 O ATOM 701 CB ARG A 46 -7.265 -4.579 19.101 1.00 0.00 C ATOM 702 CG ARG A 46 -7.887 -5.183 20.362 1.00 0.00 C ATOM 703 CD ARG A 46 -7.714 -6.703 20.341 1.00 0.00 C ATOM 704 NE ARG A 46 -6.267 -7.040 20.458 1.00 0.00 N ATOM 705 CZ ARG A 46 -5.570 -6.586 21.464 1.00 0.00 C ATOM 706 NH1 ARG A 46 -6.177 -6.146 22.532 1.00 0.00 N ATOM 707 NH2 ARG A 46 -4.267 -6.575 21.402 1.00 0.00 N ATOM 0 H ARG A 46 -9.425 -3.296 18.886 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.811 -2.721 20.083 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.798 -4.929 18.217 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.230 -4.907 19.000 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.413 -4.765 21.250 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.945 -4.928 20.416 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.271 -7.154 21.162 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.120 -7.113 19.416 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.821 -7.626 19.752 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.196 -6.157 22.581 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.633 -5.791 23.318 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.793 -6.921 20.568 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.722 -6.220 22.188 1.00 0.00 H new ATOM 721 N GLN A 47 -7.433 -1.998 17.002 1.00 0.00 N ATOM 722 CA GLN A 47 -6.844 -1.395 15.774 1.00 0.00 C ATOM 723 C GLN A 47 -6.013 -2.448 15.039 1.00 0.00 C ATOM 724 O GLN A 47 -4.926 -2.179 14.568 1.00 0.00 O ATOM 725 CB GLN A 47 -5.953 -0.216 16.163 1.00 0.00 C ATOM 726 CG GLN A 47 -6.809 0.874 16.814 1.00 0.00 C ATOM 727 CD GLN A 47 -5.937 2.093 17.126 1.00 0.00 C ATOM 728 OE1 GLN A 47 -4.726 2.020 17.067 1.00 0.00 O ATOM 729 NE2 GLN A 47 -6.508 3.219 17.457 1.00 0.00 N ATOM 0 H GLN A 47 -8.452 -2.021 17.028 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.642 -1.044 15.120 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.176 -0.545 16.853 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.449 0.180 15.281 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.623 1.158 16.147 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.264 0.495 17.729 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.525 3.280 17.506 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.937 4.038 17.666 1.00 0.00 H new ATOM 738 N THR A 48 -6.518 -3.647 14.937 1.00 0.00 N ATOM 739 CA THR A 48 -5.762 -4.720 14.233 1.00 0.00 C ATOM 740 C THR A 48 -6.659 -5.359 13.171 1.00 0.00 C ATOM 741 O THR A 48 -7.862 -5.185 13.173 1.00 0.00 O ATOM 742 CB THR A 48 -5.326 -5.785 15.241 1.00 0.00 C ATOM 743 OG1 THR A 48 -6.444 -6.588 15.594 1.00 0.00 O ATOM 744 CG2 THR A 48 -4.766 -5.107 16.493 1.00 0.00 C ATOM 0 H THR A 48 -7.423 -3.930 15.312 1.00 0.00 H new ATOM 0 HA THR A 48 -4.881 -4.291 13.756 1.00 0.00 H new ATOM 0 HB THR A 48 -4.554 -6.413 14.795 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.312 -7.499 15.256 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.456 -5.867 17.210 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.908 -4.493 16.221 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.535 -4.478 16.941 1.00 0.00 H new ATOM 752 N ASN A 49 -6.085 -6.100 12.263 1.00 0.00 N ATOM 753 CA ASN A 49 -6.907 -6.748 11.203 1.00 0.00 C ATOM 754 C ASN A 49 -7.099 -8.227 11.541 1.00 0.00 C ATOM 755 O ASN A 49 -6.652 -9.100 10.823 1.00 0.00 O ATOM 756 CB ASN A 49 -6.195 -6.621 9.856 1.00 0.00 C ATOM 757 CG ASN A 49 -7.161 -6.996 8.731 1.00 0.00 C ATOM 758 OD1 ASN A 49 -8.359 -7.035 8.931 1.00 0.00 O ATOM 759 ND2 ASN A 49 -6.688 -7.278 7.548 1.00 0.00 N ATOM 0 H ASN A 49 -5.083 -6.284 12.210 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.879 -6.258 11.147 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.836 -5.601 9.717 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.321 -7.272 9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.324 -7.531 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.683 -7.245 7.380 1.00 0.00 H new ATOM 766 N THR A 50 -7.759 -8.516 12.630 1.00 0.00 N ATOM 767 CA THR A 50 -7.978 -9.940 13.012 1.00 0.00 C ATOM 768 C THR A 50 -9.056 -10.550 12.117 1.00 0.00 C ATOM 769 O THR A 50 -10.034 -9.912 11.782 1.00 0.00 O ATOM 770 CB THR A 50 -8.434 -10.016 14.470 1.00 0.00 C ATOM 771 OG1 THR A 50 -7.490 -9.349 15.298 1.00 0.00 O ATOM 772 CG2 THR A 50 -8.544 -11.483 14.896 1.00 0.00 C ATOM 0 H THR A 50 -8.155 -7.828 13.271 1.00 0.00 H new ATOM 0 HA THR A 50 -7.046 -10.491 12.891 1.00 0.00 H new ATOM 0 HB THR A 50 -9.407 -9.536 14.571 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.941 -10.011 15.767 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.869 -11.537 15.935 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.270 -11.993 14.262 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.572 -11.965 14.795 1.00 0.00 H new ATOM 780 N HIS A 51 -8.890 -11.785 11.736 1.00 0.00 N ATOM 781 CA HIS A 51 -9.909 -12.438 10.871 1.00 0.00 C ATOM 782 C HIS A 51 -10.508 -13.629 11.618 1.00 0.00 C ATOM 783 O HIS A 51 -10.021 -14.028 12.657 1.00 0.00 O ATOM 784 CB HIS A 51 -9.251 -12.925 9.579 1.00 0.00 C ATOM 785 CG HIS A 51 -8.606 -11.763 8.874 1.00 0.00 C ATOM 786 ND1 HIS A 51 -9.349 -10.781 8.238 1.00 0.00 N ATOM 787 CD2 HIS A 51 -7.290 -11.413 8.696 1.00 0.00 C ATOM 788 CE1 HIS A 51 -8.484 -9.896 7.712 1.00 0.00 C ATOM 789 NE2 HIS A 51 -7.216 -10.234 7.961 1.00 0.00 N ATOM 0 H HIS A 51 -8.093 -12.370 11.986 1.00 0.00 H new ATOM 0 HA HIS A 51 -10.694 -11.723 10.626 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -8.505 -13.687 9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -9.995 -13.389 8.932 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -10.366 -10.738 8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.442 -11.968 9.069 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -8.779 -9.018 7.156 1.00 0.00 H new ATOM 797 N ILE A 52 -11.556 -14.203 11.100 1.00 0.00 N ATOM 798 CA ILE A 52 -12.174 -15.369 11.789 1.00 0.00 C ATOM 799 C ILE A 52 -11.366 -16.627 11.472 1.00 0.00 C ATOM 800 O ILE A 52 -11.174 -16.986 10.328 1.00 0.00 O ATOM 801 CB ILE A 52 -13.611 -15.553 11.304 1.00 0.00 C ATOM 802 CG1 ILE A 52 -14.458 -14.356 11.746 1.00 0.00 C ATOM 803 CG2 ILE A 52 -14.185 -16.834 11.911 1.00 0.00 C ATOM 804 CD1 ILE A 52 -15.930 -14.634 11.437 1.00 0.00 C ATOM 0 H ILE A 52 -12.010 -13.917 10.233 1.00 0.00 H new ATOM 0 HA ILE A 52 -12.177 -15.194 12.865 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.624 -15.623 10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.326 -14.178 12.813 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.130 -13.454 11.229 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -15.211 -16.971 11.569 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -13.581 -17.686 11.599 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.172 -16.759 12.998 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.535 -13.783 11.751 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.053 -14.791 10.365 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -16.252 -15.526 11.974 1.00 0.00 H new ATOM 816 N ARG A 53 -10.893 -17.299 12.481 1.00 0.00 N ATOM 817 CA ARG A 53 -10.096 -18.535 12.253 1.00 0.00 C ATOM 818 C ARG A 53 -11.040 -19.698 11.961 1.00 0.00 C ATOM 819 O ARG A 53 -10.866 -20.433 11.010 1.00 0.00 O ATOM 820 CB ARG A 53 -9.279 -18.842 13.506 1.00 0.00 C ATOM 821 CG ARG A 53 -8.410 -20.075 13.263 1.00 0.00 C ATOM 822 CD ARG A 53 -7.313 -19.733 12.252 1.00 0.00 C ATOM 823 NE ARG A 53 -6.453 -20.929 12.027 1.00 0.00 N ATOM 824 CZ ARG A 53 -6.842 -21.868 11.209 1.00 0.00 C ATOM 825 NH1 ARG A 53 -6.349 -21.927 10.001 1.00 0.00 N ATOM 826 NH2 ARG A 53 -7.724 -22.748 11.597 1.00 0.00 N ATOM 0 H ARG A 53 -11.025 -17.044 13.460 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.426 -18.391 11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.652 -17.988 13.762 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.944 -19.014 14.352 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.965 -20.410 14.200 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.021 -20.896 12.889 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.759 -19.410 11.311 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.710 -18.903 12.620 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.560 -21.014 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.660 -21.239 9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.653 -22.661 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.110 -22.702 12.540 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.028 -23.482 10.957 1.00 0.00 H new ATOM 840 N SER A 54 -12.041 -19.866 12.775 1.00 0.00 N ATOM 841 CA SER A 54 -13.007 -20.976 12.554 1.00 0.00 C ATOM 842 C SER A 54 -14.338 -20.623 13.215 1.00 0.00 C ATOM 843 O SER A 54 -14.384 -19.897 14.187 1.00 0.00 O ATOM 844 CB SER A 54 -12.459 -22.264 13.172 1.00 0.00 C ATOM 845 OG SER A 54 -12.959 -23.384 12.454 1.00 0.00 O ATOM 0 H SER A 54 -12.233 -19.280 13.588 1.00 0.00 H new ATOM 0 HA SER A 54 -13.155 -21.123 11.484 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.369 -22.258 13.145 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.751 -22.330 14.220 1.00 0.00 H new ATOM 0 HG SER A 54 -12.607 -24.209 12.848 1.00 0.00 H new ATOM 851 N THR A 55 -15.423 -21.131 12.700 1.00 0.00 N ATOM 852 CA THR A 55 -16.744 -20.819 13.308 1.00 0.00 C ATOM 853 C THR A 55 -16.803 -21.413 14.716 1.00 0.00 C ATOM 854 O THR A 55 -16.211 -22.436 14.994 1.00 0.00 O ATOM 855 CB THR A 55 -17.862 -21.418 12.449 1.00 0.00 C ATOM 856 OG1 THR A 55 -17.808 -22.835 12.527 1.00 0.00 O ATOM 857 CG2 THR A 55 -17.685 -20.976 10.995 1.00 0.00 C ATOM 0 H THR A 55 -15.451 -21.747 11.887 1.00 0.00 H new ATOM 0 HA THR A 55 -16.875 -19.738 13.361 1.00 0.00 H new ATOM 0 HB THR A 55 -18.828 -21.070 12.815 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.524 -23.220 11.979 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.481 -21.403 10.385 1.00 0.00 H new ATOM 0 HG22 THR A 55 -17.728 -19.888 10.938 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.720 -21.321 10.625 1.00 0.00 H new ATOM 865 N GLY A 56 -17.503 -20.770 15.608 1.00 0.00 N ATOM 866 CA GLY A 56 -17.591 -21.289 17.001 1.00 0.00 C ATOM 867 C GLY A 56 -16.436 -20.715 17.819 1.00 0.00 C ATOM 868 O GLY A 56 -15.491 -20.173 17.281 1.00 0.00 O ATOM 0 H GLY A 56 -18.018 -19.907 15.433 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.545 -21.008 17.448 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -17.547 -22.378 17.001 1.00 0.00 H new ATOM 872 N LYS A 57 -16.506 -20.829 19.112 1.00 0.00 N ATOM 873 CA LYS A 57 -15.412 -20.289 19.966 1.00 0.00 C ATOM 874 C LYS A 57 -14.115 -21.051 19.681 1.00 0.00 C ATOM 875 O LYS A 57 -14.126 -22.138 19.139 1.00 0.00 O ATOM 876 CB LYS A 57 -15.791 -20.452 21.440 1.00 0.00 C ATOM 877 CG LYS A 57 -17.093 -19.697 21.715 1.00 0.00 C ATOM 878 CD LYS A 57 -17.373 -19.690 23.218 1.00 0.00 C ATOM 879 CE LYS A 57 -18.696 -18.969 23.485 1.00 0.00 C ATOM 880 NZ LYS A 57 -18.867 -18.767 24.951 1.00 0.00 N ATOM 0 H LYS A 57 -17.273 -21.273 19.617 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.264 -19.232 19.744 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -15.912 -21.508 21.681 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.994 -20.069 22.077 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.018 -18.675 21.344 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -17.919 -20.170 21.183 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.420 -20.712 23.595 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.561 -19.192 23.748 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -18.708 -18.008 22.971 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -19.527 -19.553 23.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -19.766 -18.277 25.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.873 -19.690 25.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.081 -18.193 25.316 1.00 0.00 H new ATOM 894 N CYS A 58 -12.995 -20.487 20.044 1.00 0.00 N ATOM 895 CA CYS A 58 -11.696 -21.177 19.797 1.00 0.00 C ATOM 896 C CYS A 58 -11.606 -22.420 20.682 1.00 0.00 C ATOM 897 O CYS A 58 -10.825 -23.317 20.437 1.00 0.00 O ATOM 898 CB CYS A 58 -10.549 -20.232 20.150 1.00 0.00 C ATOM 899 SG CYS A 58 -10.506 -18.854 18.976 1.00 0.00 S ATOM 0 H CYS A 58 -12.923 -19.578 20.501 1.00 0.00 H new ATOM 0 HA CYS A 58 -11.630 -21.465 18.748 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -10.676 -19.854 21.164 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.602 -20.771 20.127 1.00 0.00 H new ATOM 904 N GLU A 59 -12.400 -22.474 21.715 1.00 0.00 N ATOM 905 CA GLU A 59 -12.366 -23.654 22.627 1.00 0.00 C ATOM 906 C GLU A 59 -13.178 -24.789 22.010 1.00 0.00 C ATOM 907 O GLU A 59 -12.994 -25.946 22.331 1.00 0.00 O ATOM 908 CB GLU A 59 -12.971 -23.275 23.981 1.00 0.00 C ATOM 909 CG GLU A 59 -12.673 -21.804 24.279 1.00 0.00 C ATOM 910 CD GLU A 59 -13.012 -21.498 25.738 1.00 0.00 C ATOM 911 OE1 GLU A 59 -14.035 -21.978 26.201 1.00 0.00 O ATOM 912 OE2 GLU A 59 -12.247 -20.787 26.368 1.00 0.00 O ATOM 0 H GLU A 59 -13.073 -21.751 21.968 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.334 -23.974 22.769 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.048 -23.444 23.970 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.557 -23.907 24.766 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.622 -21.589 24.086 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.256 -21.163 23.617 1.00 0.00 H new ATOM 919 N GLU A 60 -14.069 -24.466 21.117 1.00 0.00 N ATOM 920 CA GLU A 60 -14.886 -25.532 20.472 1.00 0.00 C ATOM 921 C GLU A 60 -14.006 -26.279 19.474 1.00 0.00 C ATOM 922 O GLU A 60 -14.282 -27.401 19.099 1.00 0.00 O ATOM 923 CB GLU A 60 -16.074 -24.909 19.733 1.00 0.00 C ATOM 924 CG GLU A 60 -16.481 -23.602 20.415 1.00 0.00 C ATOM 925 CD GLU A 60 -17.985 -23.382 20.239 1.00 0.00 C ATOM 926 OE1 GLU A 60 -18.461 -23.542 19.127 1.00 0.00 O ATOM 927 OE2 GLU A 60 -18.635 -23.057 21.219 1.00 0.00 O ATOM 0 H GLU A 60 -14.267 -23.515 20.806 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.264 -26.216 21.232 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.808 -24.720 18.693 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.914 -25.603 19.726 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.230 -23.639 21.475 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.928 -22.767 19.985 1.00 0.00 H new ATOM 934 N SER A 61 -12.943 -25.659 19.047 1.00 0.00 N ATOM 935 CA SER A 61 -12.032 -26.323 18.074 1.00 0.00 C ATOM 936 C SER A 61 -11.175 -27.357 18.806 1.00 0.00 C ATOM 937 O SER A 61 -10.506 -28.167 18.196 1.00 0.00 O ATOM 938 CB SER A 61 -11.125 -25.274 17.427 1.00 0.00 C ATOM 939 OG SER A 61 -10.244 -24.743 18.406 1.00 0.00 O ATOM 0 H SER A 61 -12.665 -24.719 19.330 1.00 0.00 H new ATOM 0 HA SER A 61 -12.621 -26.819 17.302 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.555 -25.723 16.614 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.727 -24.476 16.992 1.00 0.00 H new ATOM 0 HG SER A 61 -10.696 -24.027 18.899 1.00 0.00 H new ATOM 945 N SER A 62 -11.190 -27.334 20.112 1.00 0.00 N ATOM 946 CA SER A 62 -10.375 -28.315 20.882 1.00 0.00 C ATOM 947 C SER A 62 -11.012 -29.701 20.778 1.00 0.00 C ATOM 948 O SER A 62 -12.164 -29.841 20.418 1.00 0.00 O ATOM 949 CB SER A 62 -10.317 -27.888 22.351 1.00 0.00 C ATOM 950 OG SER A 62 -9.887 -26.537 22.435 1.00 0.00 O ATOM 0 H SER A 62 -11.731 -26.679 20.677 1.00 0.00 H new ATOM 0 HA SER A 62 -9.365 -28.349 20.473 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.299 -27.998 22.812 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.633 -28.533 22.902 1.00 0.00 H new ATOM 0 HG SER A 62 -9.851 -26.263 23.375 1.00 0.00 H new ATOM 956 N THR A 63 -10.271 -30.729 21.090 1.00 0.00 N ATOM 957 CA THR A 63 -10.835 -32.107 21.008 1.00 0.00 C ATOM 958 C THR A 63 -10.486 -32.876 22.283 1.00 0.00 C ATOM 959 O THR A 63 -9.458 -33.519 22.369 1.00 0.00 O ATOM 960 CB THR A 63 -10.241 -32.828 19.795 1.00 0.00 C ATOM 961 OG1 THR A 63 -8.826 -32.697 19.814 1.00 0.00 O ATOM 962 CG2 THR A 63 -10.796 -32.211 18.511 1.00 0.00 C ATOM 0 H THR A 63 -9.300 -30.675 21.398 1.00 0.00 H new ATOM 0 HA THR A 63 -11.919 -32.053 20.903 1.00 0.00 H new ATOM 0 HB THR A 63 -10.508 -33.884 19.832 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.485 -32.958 20.695 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.373 -32.725 17.648 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.881 -32.313 18.498 1.00 0.00 H new ATOM 0 HG23 THR A 63 -10.530 -31.155 18.471 1.00 0.00 H new ATOM 970 N PRO A 64 -11.365 -32.807 23.292 1.00 0.00 N ATOM 971 CA PRO A 64 -11.159 -33.493 24.574 1.00 0.00 C ATOM 972 C PRO A 64 -11.302 -35.012 24.434 1.00 0.00 C ATOM 973 O PRO A 64 -12.145 -35.502 23.709 1.00 0.00 O ATOM 974 CB PRO A 64 -12.276 -32.942 25.458 1.00 0.00 C ATOM 975 CG PRO A 64 -13.339 -32.515 24.503 1.00 0.00 C ATOM 976 CD PRO A 64 -12.630 -32.051 23.262 1.00 0.00 C ATOM 0 HA PRO A 64 -10.159 -33.324 24.974 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.645 -33.700 26.148 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.926 -32.105 26.062 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -14.015 -33.340 24.279 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -13.944 -31.714 24.928 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -13.208 -32.269 22.364 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -12.456 -30.975 23.276 1.00 0.00 H new ATOM 984 N GLY A 65 -10.487 -35.760 25.125 1.00 0.00 N ATOM 985 CA GLY A 65 -10.578 -37.245 25.032 1.00 0.00 C ATOM 986 C GLY A 65 -11.742 -37.738 25.895 1.00 0.00 C ATOM 987 O GLY A 65 -12.506 -36.958 26.428 1.00 0.00 O ATOM 0 H GLY A 65 -9.762 -35.408 25.750 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.726 -37.547 23.995 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.645 -37.699 25.366 1.00 0.00 H new ATOM 991 N THR A 66 -11.882 -39.028 26.036 1.00 0.00 N ATOM 992 CA THR A 66 -12.997 -39.569 26.864 1.00 0.00 C ATOM 993 C THR A 66 -12.822 -39.113 28.315 1.00 0.00 C ATOM 994 O THR A 66 -13.776 -38.985 29.055 1.00 0.00 O ATOM 995 CB THR A 66 -12.982 -41.099 26.805 1.00 0.00 C ATOM 996 OG1 THR A 66 -13.056 -41.519 25.450 1.00 0.00 O ATOM 997 CG2 THR A 66 -14.177 -41.654 27.580 1.00 0.00 C ATOM 0 H THR A 66 -11.273 -39.730 25.614 1.00 0.00 H new ATOM 0 HA THR A 66 -13.948 -39.200 26.479 1.00 0.00 H new ATOM 0 HB THR A 66 -12.060 -41.471 27.251 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.045 -42.498 25.410 1.00 0.00 H new ATOM 0 HG21 THR A 66 -14.165 -42.743 27.537 1.00 0.00 H new ATOM 0 HG22 THR A 66 -14.118 -41.331 28.619 1.00 0.00 H new ATOM 0 HG23 THR A 66 -15.102 -41.284 27.137 1.00 0.00 H new ATOM 1005 N THR A 67 -11.609 -38.867 28.726 1.00 0.00 N ATOM 1006 CA THR A 67 -11.373 -38.420 30.127 1.00 0.00 C ATOM 1007 C THR A 67 -10.261 -37.369 30.146 1.00 0.00 C ATOM 1008 O THR A 67 -9.463 -37.279 29.234 1.00 0.00 O ATOM 1009 CB THR A 67 -10.957 -39.618 30.984 1.00 0.00 C ATOM 1010 OG1 THR A 67 -10.972 -39.247 32.355 1.00 0.00 O ATOM 1011 CG2 THR A 67 -9.548 -40.065 30.590 1.00 0.00 C ATOM 0 H THR A 67 -10.771 -38.956 28.152 1.00 0.00 H new ATOM 0 HA THR A 67 -12.290 -37.988 30.529 1.00 0.00 H new ATOM 0 HB THR A 67 -11.655 -40.439 30.823 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.707 -40.014 32.904 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.253 -40.918 31.201 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.538 -40.351 29.538 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.848 -39.245 30.750 1.00 0.00 H new ATOM 1019 N ALA A 68 -10.201 -36.572 31.178 1.00 0.00 N ATOM 1020 CA ALA A 68 -9.140 -35.529 31.253 1.00 0.00 C ATOM 1021 C ALA A 68 -7.770 -36.201 31.367 1.00 0.00 C ATOM 1022 O ALA A 68 -6.780 -35.702 30.868 1.00 0.00 O ATOM 1023 CB ALA A 68 -9.379 -34.647 32.480 1.00 0.00 C ATOM 0 H ALA A 68 -10.841 -36.598 31.972 1.00 0.00 H new ATOM 0 HA ALA A 68 -9.169 -34.916 30.352 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.603 -33.883 32.536 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -10.355 -34.168 32.399 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.350 -35.261 33.380 1.00 0.00 H new ATOM 1029 N ALA A 69 -7.705 -37.329 32.019 1.00 0.00 N ATOM 1030 CA ALA A 69 -6.399 -38.031 32.164 1.00 0.00 C ATOM 1031 C ALA A 69 -5.877 -38.431 30.782 1.00 0.00 C ATOM 1032 O ALA A 69 -6.623 -38.867 29.928 1.00 0.00 O ATOM 1033 CB ALA A 69 -6.585 -39.285 33.020 1.00 0.00 C ATOM 0 H ALA A 69 -8.500 -37.795 32.457 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.682 -37.366 32.645 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.629 -39.798 33.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.956 -39.001 34.005 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.303 -39.950 32.540 1.00 0.00 H new ATOM 1039 N SER A 70 -4.600 -38.285 30.554 1.00 0.00 N ATOM 1040 CA SER A 70 -4.032 -38.656 29.228 1.00 0.00 C ATOM 1041 C SER A 70 -4.268 -40.146 28.971 1.00 0.00 C ATOM 1042 O SER A 70 -4.435 -40.574 27.846 1.00 0.00 O ATOM 1043 CB SER A 70 -2.529 -38.369 29.218 1.00 0.00 C ATOM 1044 OG SER A 70 -1.867 -39.280 30.084 1.00 0.00 O ATOM 0 H SER A 70 -3.926 -37.925 31.229 1.00 0.00 H new ATOM 0 HA SER A 70 -4.519 -38.071 28.448 1.00 0.00 H new ATOM 0 HB2 SER A 70 -2.137 -38.463 28.205 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.341 -37.344 29.539 1.00 0.00 H new ATOM 0 HG SER A 70 -0.904 -39.098 30.076 1.00 0.00 H new ATOM 1050 N MET A 71 -4.281 -40.940 30.006 1.00 0.00 N ATOM 1051 CA MET A 71 -4.505 -42.401 29.822 1.00 0.00 C ATOM 1052 C MET A 71 -5.933 -42.639 29.324 1.00 0.00 C ATOM 1053 O MET A 71 -6.842 -41.900 29.643 1.00 0.00 O ATOM 1054 CB MET A 71 -4.304 -43.121 31.157 1.00 0.00 C ATOM 1055 CG MET A 71 -2.923 -42.774 31.720 1.00 0.00 C ATOM 1056 SD MET A 71 -1.684 -43.880 31.003 1.00 0.00 S ATOM 1057 CE MET A 71 -0.817 -42.640 30.010 1.00 0.00 C ATOM 0 H MET A 71 -4.146 -40.640 30.971 1.00 0.00 H new ATOM 0 HA MET A 71 -3.795 -42.788 29.091 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.081 -42.826 31.862 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.392 -44.199 31.018 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.676 -41.737 31.492 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.927 -42.870 32.806 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.004 -43.114 29.472 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.511 -42.196 29.296 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.421 -41.862 30.663 1.00 0.00 H new ATOM 1067 N PRO A 72 -6.126 -43.696 28.521 1.00 0.00 N ATOM 1068 CA PRO A 72 -7.441 -44.043 27.969 1.00 0.00 C ATOM 1069 C PRO A 72 -8.390 -44.570 29.049 1.00 0.00 C ATOM 1070 O PRO A 72 -7.968 -45.007 30.101 1.00 0.00 O ATOM 1071 CB PRO A 72 -7.126 -45.153 26.966 1.00 0.00 C ATOM 1072 CG PRO A 72 -5.853 -45.754 27.458 1.00 0.00 C ATOM 1073 CD PRO A 72 -5.075 -44.635 28.090 1.00 0.00 C ATOM 0 HA PRO A 72 -7.940 -43.180 27.529 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.926 -45.893 26.929 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.013 -44.756 25.957 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.051 -46.546 28.180 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.292 -46.203 26.638 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.478 -44.985 28.932 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.387 -44.172 27.382 1.00 0.00 H new ATOM 1081 N PRO A 73 -9.702 -44.524 28.776 1.00 0.00 N ATOM 1082 CA PRO A 73 -10.726 -44.996 29.717 1.00 0.00 C ATOM 1083 C PRO A 73 -10.710 -46.522 29.853 1.00 0.00 C ATOM 1084 O PRO A 73 -10.058 -47.215 29.097 1.00 0.00 O ATOM 1085 CB PRO A 73 -12.038 -44.542 29.078 1.00 0.00 C ATOM 1086 CG PRO A 73 -11.729 -44.433 27.623 1.00 0.00 C ATOM 1087 CD PRO A 73 -10.290 -44.010 27.527 1.00 0.00 C ATOM 0 HA PRO A 73 -10.570 -44.605 30.722 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.837 -45.260 29.261 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.368 -43.587 29.486 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -11.888 -45.386 27.119 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.381 -43.705 27.141 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.804 -44.435 26.649 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.193 -42.927 27.453 1.00 0.00 H new ATOM 1095 N SER A 74 -11.421 -47.050 30.811 1.00 0.00 N ATOM 1096 CA SER A 74 -11.445 -48.529 30.994 1.00 0.00 C ATOM 1097 C SER A 74 -12.575 -49.131 30.157 1.00 0.00 C ATOM 1098 O SER A 74 -12.708 -50.334 30.049 1.00 0.00 O ATOM 1099 CB SER A 74 -11.673 -48.857 32.470 1.00 0.00 C ATOM 1100 OG SER A 74 -10.698 -48.191 33.258 1.00 0.00 O ATOM 0 H SER A 74 -11.986 -46.521 31.475 1.00 0.00 H new ATOM 0 HA SER A 74 -10.492 -48.949 30.671 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.674 -48.548 32.772 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.611 -49.934 32.628 1.00 0.00 H new ATOM 0 HG SER A 74 -10.844 -48.399 34.204 1.00 0.00 H new ATOM 1106 N ASP A 75 -13.392 -48.305 29.561 1.00 0.00 N ATOM 1107 CA ASP A 75 -14.511 -48.834 28.731 1.00 0.00 C ATOM 1108 C ASP A 75 -13.981 -49.215 27.347 1.00 0.00 C ATOM 1109 O ASP A 75 -14.572 -50.009 26.642 1.00 0.00 O ATOM 1110 CB ASP A 75 -15.592 -47.762 28.587 1.00 0.00 C ATOM 1111 CG ASP A 75 -16.200 -47.465 29.960 1.00 0.00 C ATOM 1112 OD1 ASP A 75 -16.005 -48.267 30.859 1.00 0.00 O ATOM 1113 OD2 ASP A 75 -16.851 -46.442 30.089 1.00 0.00 O ATOM 0 H ASP A 75 -13.333 -47.288 29.613 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.937 -49.714 29.213 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.165 -46.854 28.162 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.367 -48.101 27.900 1.00 0.00 H new ATOM 1118 N GLU A 76 -12.871 -48.655 26.952 1.00 0.00 N ATOM 1119 CA GLU A 76 -12.302 -48.985 25.615 1.00 0.00 C ATOM 1120 C GLU A 76 -10.792 -48.739 25.628 1.00 0.00 C ATOM 1121 O GLU A 76 -10.097 -49.479 26.303 1.00 0.00 O ATOM 1122 CB GLU A 76 -12.954 -48.100 24.551 1.00 0.00 C ATOM 1123 CG GLU A 76 -12.402 -48.472 23.173 1.00 0.00 C ATOM 1124 CD GLU A 76 -12.977 -47.523 22.120 1.00 0.00 C ATOM 1125 OE1 GLU A 76 -13.684 -46.604 22.502 1.00 0.00 O ATOM 1126 OE2 GLU A 76 -12.701 -47.730 20.950 1.00 0.00 O ATOM 1127 OXT GLU A 76 -10.358 -47.813 24.962 1.00 0.00 O ATOM 0 H GLU A 76 -12.333 -47.982 27.498 1.00 0.00 H new ATOM 0 HA GLU A 76 -12.497 -50.033 25.386 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.036 -48.229 24.568 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.754 -47.050 24.764 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.314 -48.411 23.177 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.663 -49.502 22.931 1.00 0.00 H new TER 1134 GLU A 76