USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 982 hydrogens (32 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 NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 95 HIS HE2 : A 95 HIS NE2 : A 125 HECFE :(H bumps) USER MOD NoAdj-H: A 125 HEC HAC : A 125 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 125 HEC HAB : A 125 HEC CAB : A 49 CYS SG :(H bumps) USER MOD Set 1.1: A 105 SER OG : rot 117:sc= -2.34! USER MOD Set 1.2: A 107 SER OG : rot 180:sc= 0.695 USER MOD Set 2.1: A 41 THR OG1 : rot -72:sc= 0.552 USER MOD Set 2.2: A 43 SER OG : rot -64:sc= 0.369 USER MOD Single : A 1 ASP N :NH3+ -168:sc= 0 (180deg=-0.148) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -2.84! USER MOD Single : A 13 THR OG1 : rot 92:sc= 0.93 USER MOD Single : A 14 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.3!) USER MOD Single : A 17 HIS : no HE2:sc= -1.08! C(o=-1.1!,f=-4.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.75! K(o=-2.7!,f=-0.86) USER MOD Single : A 22 MET CE :methyl -164:sc= 0 (180deg=-0.076) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -1:sc= 0.566 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0.524 (180deg=0.226) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -99:sc= -3.22! USER MOD Single : A 54 THR OG1 : rot 35:sc= -1.34! USER MOD Single : A 55 ASN : amide:sc= -0.498 K(o=-0.5,f=-1.7) USER MOD Single : A 56 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.4) USER MOD Single : A 59 ASN : amide:sc= 0.445 K(o=0.45,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -7.31! C(o=-7.3!,f=-11!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00241 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -8.45! C(o=-8.5!,f=-14!) USER MOD Single : A 79 THR OG1 : rot -18:sc= 1.03 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -49:sc= 1.12 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0468) USER MOD Single : A 97 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 109 LYS NZ :NH3+ -152:sc= -0.978! (180deg=-3.13!) USER MOD Single : A 111 ASN : amide:sc= -2.31 K(o=-2.3,f=-0.26) USER MOD Single : A 115 TYR OH : rot -15:sc= -1.06 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -157:sc=-0.00475 (180deg=-0.176) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 125 HEC O2A : rot 102:sc= 0.71 USER MOD Single : A 125 HEC O2D : rot 165:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -9.023 0.609 15.464 1.00 0.00 N ATOM 2 CA ASP A 1 -9.018 0.477 14.017 1.00 0.00 C ATOM 3 C ASP A 1 -7.709 -0.181 13.573 1.00 0.00 C ATOM 4 O ASP A 1 -7.717 -1.096 12.752 1.00 0.00 O ATOM 5 CB ASP A 1 -9.113 1.845 13.338 1.00 0.00 C ATOM 6 CG ASP A 1 -9.976 1.882 12.076 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.515 1.324 11.056 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.077 2.467 12.158 1.00 0.00 O ATOM 0 H1 ASP A 1 -9.979 0.863 15.786 1.00 0.00 H new ATOM 0 H2 ASP A 1 -8.741 -0.294 15.896 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.353 1.353 15.747 1.00 0.00 H new ATOM 0 HA ASP A 1 -9.879 -0.128 13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.513 2.562 14.055 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.107 2.177 13.082 1.00 0.00 H new ATOM 15 N VAL A 2 -6.616 0.312 14.138 1.00 0.00 N ATOM 16 CA VAL A 2 -5.303 -0.217 13.811 1.00 0.00 C ATOM 17 C VAL A 2 -5.310 -1.736 13.988 1.00 0.00 C ATOM 18 O VAL A 2 -4.511 -2.441 13.373 1.00 0.00 O ATOM 19 CB VAL A 2 -4.234 0.478 14.658 1.00 0.00 C ATOM 20 CG1 VAL A 2 -2.884 -0.231 14.527 1.00 0.00 C ATOM 21 CG2 VAL A 2 -4.115 1.957 14.285 1.00 0.00 C ATOM 0 H VAL A 2 -6.613 1.071 14.819 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.058 -0.013 12.769 1.00 0.00 H new ATOM 0 HB VAL A 2 -4.543 0.420 15.702 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.142 0.283 15.139 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.981 -1.263 14.865 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.566 -0.219 13.484 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.349 2.427 14.901 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.840 2.046 13.234 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -5.071 2.453 14.454 1.00 0.00 H new ATOM 31 N THR A 3 -6.222 -2.197 14.831 1.00 0.00 N ATOM 32 CA THR A 3 -6.345 -3.621 15.097 1.00 0.00 C ATOM 33 C THR A 3 -6.402 -4.405 13.784 1.00 0.00 C ATOM 34 O THR A 3 -6.053 -5.584 13.746 1.00 0.00 O ATOM 35 CB THR A 3 -7.573 -3.832 15.984 1.00 0.00 C ATOM 36 OG1 THR A 3 -7.098 -3.571 17.302 1.00 0.00 O ATOM 37 CG2 THR A 3 -8.016 -5.296 16.031 1.00 0.00 C ATOM 0 H THR A 3 -6.883 -1.610 15.339 1.00 0.00 H new ATOM 0 HA THR A 3 -5.473 -4.001 15.629 1.00 0.00 H new ATOM 0 HB THR A 3 -8.395 -3.215 15.620 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.831 -3.683 17.942 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.891 -5.391 16.674 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.267 -5.633 15.025 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.206 -5.909 16.427 1.00 0.00 H new ATOM 45 N ASN A 4 -6.843 -3.719 12.740 1.00 0.00 N ATOM 46 CA ASN A 4 -6.950 -4.336 11.430 1.00 0.00 C ATOM 47 C ASN A 4 -5.580 -4.316 10.748 1.00 0.00 C ATOM 48 O ASN A 4 -5.132 -5.331 10.217 1.00 0.00 O ATOM 49 CB ASN A 4 -7.932 -3.572 10.539 1.00 0.00 C ATOM 50 CG ASN A 4 -9.016 -2.891 11.377 1.00 0.00 C ATOM 51 OD1 ASN A 4 -9.483 -1.806 11.072 1.00 0.00 O ATOM 52 ND2 ASN A 4 -9.389 -3.586 12.448 1.00 0.00 N ATOM 0 H ASN A 4 -7.130 -2.741 12.775 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.306 -5.357 11.567 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.394 -2.824 9.956 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -8.394 -4.258 9.829 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -10.107 -3.216 13.071 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -8.957 -4.489 12.646 1.00 0.00 H new ATOM 59 N ALA A 5 -4.954 -3.149 10.784 1.00 0.00 N ATOM 60 CA ALA A 5 -3.645 -2.983 10.177 1.00 0.00 C ATOM 61 C ALA A 5 -2.673 -3.997 10.784 1.00 0.00 C ATOM 62 O ALA A 5 -2.002 -4.730 10.060 1.00 0.00 O ATOM 63 CB ALA A 5 -3.174 -1.539 10.364 1.00 0.00 C ATOM 0 H ALA A 5 -5.329 -2.309 11.224 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.693 -3.174 9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.192 -1.415 9.908 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.883 -0.861 9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.112 -1.312 11.428 1.00 0.00 H new ATOM 69 N GLU A 6 -2.629 -4.005 12.108 1.00 0.00 N ATOM 70 CA GLU A 6 -1.750 -4.917 12.822 1.00 0.00 C ATOM 71 C GLU A 6 -1.972 -6.352 12.341 1.00 0.00 C ATOM 72 O GLU A 6 -1.025 -7.133 12.249 1.00 0.00 O ATOM 73 CB GLU A 6 -1.957 -4.807 14.334 1.00 0.00 C ATOM 74 CG GLU A 6 -3.319 -5.371 14.743 1.00 0.00 C ATOM 75 CD GLU A 6 -3.445 -5.450 16.266 1.00 0.00 C ATOM 76 OE1 GLU A 6 -3.127 -4.430 16.915 1.00 0.00 O ATOM 77 OE2 GLU A 6 -3.857 -6.528 16.747 1.00 0.00 O ATOM 0 H GLU A 6 -3.187 -3.395 12.705 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.718 -4.638 12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.165 -5.347 14.853 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.885 -3.763 14.640 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.113 -4.741 14.341 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.450 -6.363 14.312 1.00 0.00 H new ATOM 84 N LYS A 7 -3.227 -6.657 12.047 1.00 0.00 N ATOM 85 CA LYS A 7 -3.584 -7.985 11.578 1.00 0.00 C ATOM 86 C LYS A 7 -2.907 -8.245 10.231 1.00 0.00 C ATOM 87 O LYS A 7 -2.184 -9.228 10.075 1.00 0.00 O ATOM 88 CB LYS A 7 -5.105 -8.150 11.544 1.00 0.00 C ATOM 89 CG LYS A 7 -5.493 -9.608 11.289 1.00 0.00 C ATOM 90 CD LYS A 7 -5.740 -10.348 12.605 1.00 0.00 C ATOM 91 CE LYS A 7 -7.076 -11.094 12.572 1.00 0.00 C ATOM 92 NZ LYS A 7 -7.166 -12.044 13.703 1.00 0.00 N ATOM 0 H LYS A 7 -4.009 -6.007 12.124 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.219 -8.744 12.270 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.532 -7.817 12.490 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.526 -7.516 10.763 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.391 -9.647 10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.701 -10.107 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.930 -11.054 12.787 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.736 -9.638 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.899 -10.381 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.176 -11.631 11.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.078 -12.542 13.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.391 -12.735 13.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.092 -11.524 14.600 1.00 0.00 H new ATOM 106 N LEU A 8 -3.165 -7.347 9.292 1.00 0.00 N ATOM 107 CA LEU A 8 -2.589 -7.466 7.963 1.00 0.00 C ATOM 108 C LEU A 8 -1.089 -7.744 8.085 1.00 0.00 C ATOM 109 O LEU A 8 -0.537 -8.536 7.323 1.00 0.00 O ATOM 110 CB LEU A 8 -2.920 -6.231 7.123 1.00 0.00 C ATOM 111 CG LEU A 8 -4.368 -6.115 6.642 1.00 0.00 C ATOM 112 CD1 LEU A 8 -4.477 -5.152 5.458 1.00 0.00 C ATOM 113 CD2 LEU A 8 -4.949 -7.492 6.316 1.00 0.00 C ATOM 0 H LEU A 8 -3.766 -6.533 9.425 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.028 -8.311 7.432 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.680 -5.343 7.708 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.267 -6.224 6.251 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.965 -5.697 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.516 -5.088 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.129 -4.164 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.864 -5.517 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.979 -7.381 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.356 -7.960 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.926 -8.117 7.209 1.00 0.00 H new ATOM 125 N VAL A 9 -0.473 -7.076 9.049 1.00 0.00 N ATOM 126 CA VAL A 9 0.952 -7.240 9.281 1.00 0.00 C ATOM 127 C VAL A 9 1.226 -8.670 9.751 1.00 0.00 C ATOM 128 O VAL A 9 2.053 -9.392 9.199 1.00 0.00 O ATOM 129 CB VAL A 9 1.448 -6.181 10.267 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.920 -6.406 10.619 1.00 0.00 C ATOM 131 CG2 VAL A 9 1.225 -4.772 9.716 1.00 0.00 C ATOM 0 H VAL A 9 -0.935 -6.420 9.679 1.00 0.00 H new ATOM 0 HA VAL A 9 1.509 -7.089 8.356 1.00 0.00 H new ATOM 0 HB VAL A 9 0.866 -6.278 11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.247 -5.639 11.321 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.039 -7.389 11.074 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.523 -6.350 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.586 -4.038 10.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.769 -4.658 8.778 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.161 -4.614 9.540 1.00 0.00 H new ATOM 141 N TYR A 10 0.501 -9.068 10.800 1.00 0.00 N ATOM 142 CA TYR A 10 0.644 -10.394 11.367 1.00 0.00 C ATOM 143 C TYR A 10 0.017 -11.423 10.437 1.00 0.00 C ATOM 144 O TYR A 10 0.058 -12.611 10.752 1.00 0.00 O ATOM 145 CB TYR A 10 -0.019 -10.431 12.741 1.00 0.00 C ATOM 146 CG TYR A 10 0.461 -11.568 13.611 1.00 0.00 C ATOM 147 CD1 TYR A 10 -0.194 -12.805 13.570 1.00 0.00 C ATOM 148 CD2 TYR A 10 1.560 -11.386 14.458 1.00 0.00 C ATOM 149 CE1 TYR A 10 0.251 -13.860 14.376 1.00 0.00 C ATOM 150 CE2 TYR A 10 2.005 -12.441 15.264 1.00 0.00 C ATOM 151 CZ TYR A 10 1.351 -13.677 15.223 1.00 0.00 C ATOM 152 OH TYR A 10 1.785 -14.705 16.008 1.00 0.00 O ATOM 0 H TYR A 10 -0.190 -8.482 11.269 1.00 0.00 H new ATOM 0 HA TYR A 10 1.701 -10.634 11.481 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.171 -9.487 13.253 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.098 -10.513 12.613 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.042 -12.945 12.917 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.065 -10.432 14.490 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.254 -14.814 14.344 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.853 -12.300 15.917 1.00 0.00 H new ATOM 0 HH TYR A 10 2.558 -14.411 16.534 1.00 0.00 H new ATOM 162 N LYS A 11 -0.541 -10.959 9.328 1.00 0.00 N ATOM 163 CA LYS A 11 -1.166 -11.858 8.373 1.00 0.00 C ATOM 164 C LYS A 11 -0.234 -12.052 7.176 1.00 0.00 C ATOM 165 O LYS A 11 0.371 -13.104 6.983 1.00 0.00 O ATOM 166 CB LYS A 11 -2.559 -11.350 7.992 1.00 0.00 C ATOM 167 CG LYS A 11 -3.455 -12.501 7.533 1.00 0.00 C ATOM 168 CD LYS A 11 -3.926 -13.339 8.724 1.00 0.00 C ATOM 169 CE LYS A 11 -5.436 -13.576 8.665 1.00 0.00 C ATOM 170 NZ LYS A 11 -5.757 -14.628 7.674 1.00 0.00 N ATOM 0 H LYS A 11 -0.573 -9.973 9.070 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.321 -12.840 8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.014 -10.849 8.847 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.475 -10.610 7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.318 -12.104 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.910 -13.133 6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.404 -14.296 8.729 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.670 -12.832 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.803 -13.870 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.945 -12.650 8.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.786 -14.777 7.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.425 -14.332 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.286 -15.515 7.945 1.00 0.00 H new ATOM 184 N TYR A 12 -0.130 -10.996 6.365 1.00 0.00 N ATOM 185 CA TYR A 12 0.712 -11.020 5.186 1.00 0.00 C ATOM 186 C TYR A 12 2.114 -11.479 5.561 1.00 0.00 C ATOM 187 O TYR A 12 2.842 -11.943 4.685 1.00 0.00 O ATOM 188 CB TYR A 12 0.747 -9.629 4.560 1.00 0.00 C ATOM 189 CG TYR A 12 -0.569 -9.208 3.952 1.00 0.00 C ATOM 190 CD1 TYR A 12 -1.074 -9.885 2.836 1.00 0.00 C ATOM 191 CD2 TYR A 12 -1.286 -8.139 4.504 1.00 0.00 C ATOM 192 CE1 TYR A 12 -2.295 -9.495 2.273 1.00 0.00 C ATOM 193 CE2 TYR A 12 -2.507 -7.749 3.941 1.00 0.00 C ATOM 194 CZ TYR A 12 -3.011 -8.427 2.825 1.00 0.00 C ATOM 195 OH TYR A 12 -4.201 -8.047 2.277 1.00 0.00 O ATOM 0 H TYR A 12 -0.624 -10.115 6.512 1.00 0.00 H new ATOM 0 HA TYR A 12 0.305 -11.722 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.035 -8.904 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.518 -9.605 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.521 -10.709 2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.897 -7.615 5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -2.684 -10.019 1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -3.060 -6.925 4.368 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.567 -7.291 2.782 1.00 0.00 H new ATOM 205 N THR A 13 2.461 -11.343 6.832 1.00 0.00 N ATOM 206 CA THR A 13 3.777 -11.750 7.296 1.00 0.00 C ATOM 207 C THR A 13 3.828 -13.267 7.492 1.00 0.00 C ATOM 208 O THR A 13 4.700 -13.939 6.943 1.00 0.00 O ATOM 209 CB THR A 13 4.095 -10.962 8.568 1.00 0.00 C ATOM 210 OG1 THR A 13 4.170 -9.609 8.128 1.00 0.00 O ATOM 211 CG2 THR A 13 5.497 -11.258 9.105 1.00 0.00 C ATOM 0 H THR A 13 1.854 -10.957 7.555 1.00 0.00 H new ATOM 0 HA THR A 13 4.545 -11.523 6.556 1.00 0.00 H new ATOM 0 HB THR A 13 3.356 -11.196 9.334 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.289 -9.188 8.212 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.672 -10.673 10.008 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.581 -12.319 9.338 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.239 -10.992 8.352 1.00 0.00 H new ATOM 219 N ASN A 14 2.881 -13.762 8.275 1.00 0.00 N ATOM 220 CA ASN A 14 2.807 -15.187 8.551 1.00 0.00 C ATOM 221 C ASN A 14 2.729 -15.954 7.229 1.00 0.00 C ATOM 222 O ASN A 14 3.539 -16.844 6.975 1.00 0.00 O ATOM 223 CB ASN A 14 1.559 -15.526 9.368 1.00 0.00 C ATOM 224 CG ASN A 14 1.907 -16.434 10.550 1.00 0.00 C ATOM 225 OD1 ASN A 14 2.983 -16.368 11.121 1.00 0.00 O ATOM 226 ND2 ASN A 14 0.939 -17.282 10.883 1.00 0.00 N ATOM 0 H ASN A 14 2.158 -13.202 8.727 1.00 0.00 H new ATOM 0 HA ASN A 14 3.695 -15.468 9.117 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.099 -14.608 9.733 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.825 -16.019 8.730 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.073 -17.930 11.659 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.062 -17.285 10.362 1.00 0.00 H new ATOM 233 N ILE A 15 1.746 -15.581 6.422 1.00 0.00 N ATOM 234 CA ILE A 15 1.552 -16.222 5.133 1.00 0.00 C ATOM 235 C ILE A 15 2.881 -16.250 4.376 1.00 0.00 C ATOM 236 O ILE A 15 3.290 -17.293 3.870 1.00 0.00 O ATOM 237 CB ILE A 15 0.419 -15.543 4.362 1.00 0.00 C ATOM 238 CG1 ILE A 15 -0.945 -16.062 4.820 1.00 0.00 C ATOM 239 CG2 ILE A 15 0.613 -15.698 2.852 1.00 0.00 C ATOM 240 CD1 ILE A 15 -1.970 -14.927 4.885 1.00 0.00 C ATOM 0 H ILE A 15 1.076 -14.843 6.636 1.00 0.00 H new ATOM 0 HA ILE A 15 1.240 -17.258 5.266 1.00 0.00 H new ATOM 0 HB ILE A 15 0.448 -14.476 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.294 -16.833 4.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.850 -16.528 5.801 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.206 -15.206 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.558 -15.242 2.558 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.626 -16.757 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.931 -15.323 5.213 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.630 -14.169 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.080 -14.479 3.897 1.00 0.00 H new ATOM 252 N ALA A 16 3.520 -15.090 4.323 1.00 0.00 N ATOM 253 CA ALA A 16 4.794 -14.967 3.637 1.00 0.00 C ATOM 254 C ALA A 16 5.813 -15.902 4.292 1.00 0.00 C ATOM 255 O ALA A 16 6.571 -16.581 3.602 1.00 0.00 O ATOM 256 CB ALA A 16 5.247 -13.506 3.657 1.00 0.00 C ATOM 0 H ALA A 16 3.178 -14.226 4.745 1.00 0.00 H new ATOM 0 HA ALA A 16 4.697 -15.264 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.203 -13.414 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.503 -12.888 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.358 -13.173 4.689 1.00 0.00 H new ATOM 262 N HIS A 17 5.798 -15.907 5.617 1.00 0.00 N ATOM 263 CA HIS A 17 6.711 -16.747 6.373 1.00 0.00 C ATOM 264 C HIS A 17 6.362 -18.219 6.145 1.00 0.00 C ATOM 265 O HIS A 17 7.234 -19.084 6.210 1.00 0.00 O ATOM 266 CB HIS A 17 6.707 -16.359 7.853 1.00 0.00 C ATOM 267 CG HIS A 17 7.829 -16.976 8.653 1.00 0.00 C ATOM 268 ND1 HIS A 17 9.162 -16.680 8.427 1.00 0.00 N ATOM 269 CD2 HIS A 17 7.803 -17.875 9.678 1.00 0.00 C ATOM 270 CE1 HIS A 17 9.896 -17.375 9.283 1.00 0.00 C ATOM 271 NE2 HIS A 17 9.052 -18.116 10.057 1.00 0.00 N ATOM 0 H HIS A 17 5.168 -15.342 6.186 1.00 0.00 H new ATOM 0 HA HIS A 17 7.730 -16.592 6.020 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.771 -15.274 7.934 1.00 0.00 H new ATOM 0 HB3 HIS A 17 5.755 -16.656 8.293 1.00 0.00 H new ATOM 0 HD1 HIS A 17 9.519 -16.036 7.721 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.916 -18.316 10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.973 -17.358 9.355 1.00 0.00 H new ATOM 279 N SER A 18 5.086 -18.457 5.883 1.00 0.00 N ATOM 280 CA SER A 18 4.611 -19.810 5.644 1.00 0.00 C ATOM 281 C SER A 18 5.080 -20.295 4.272 1.00 0.00 C ATOM 282 O SER A 18 5.118 -21.497 4.014 1.00 0.00 O ATOM 283 CB SER A 18 3.086 -19.883 5.740 1.00 0.00 C ATOM 284 OG SER A 18 2.599 -21.204 5.518 1.00 0.00 O ATOM 0 H SER A 18 4.366 -17.736 5.831 1.00 0.00 H new ATOM 0 HA SER A 18 5.028 -20.460 6.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.768 -19.540 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.644 -19.206 5.009 1.00 0.00 H new ATOM 0 HG SER A 18 1.622 -21.209 5.589 1.00 0.00 H new ATOM 290 N ALA A 19 5.427 -19.335 3.427 1.00 0.00 N ATOM 291 CA ALA A 19 5.892 -19.650 2.087 1.00 0.00 C ATOM 292 C ALA A 19 7.422 -19.600 2.058 1.00 0.00 C ATOM 293 O ALA A 19 8.054 -20.301 1.269 1.00 0.00 O ATOM 294 CB ALA A 19 5.259 -18.682 1.085 1.00 0.00 C ATOM 0 H ALA A 19 5.395 -18.339 3.644 1.00 0.00 H new ATOM 0 HA ALA A 19 5.589 -20.658 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.608 -18.919 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.174 -18.776 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.544 -17.660 1.337 1.00 0.00 H new ATOM 300 N ASN A 20 7.971 -18.765 2.927 1.00 0.00 N ATOM 301 CA ASN A 20 9.414 -18.614 3.011 1.00 0.00 C ATOM 302 C ASN A 20 9.822 -18.467 4.478 1.00 0.00 C ATOM 303 O ASN A 20 9.499 -17.491 5.151 1.00 0.00 O ATOM 304 CB ASN A 20 9.882 -17.365 2.263 1.00 0.00 C ATOM 305 CG ASN A 20 10.984 -17.708 1.259 1.00 0.00 C ATOM 306 OD1 ASN A 20 10.902 -17.406 0.079 1.00 0.00 O ATOM 307 ND2 ASN A 20 12.018 -18.354 1.791 1.00 0.00 N ATOM 0 H ASN A 20 7.443 -18.186 3.579 1.00 0.00 H new ATOM 0 HA ASN A 20 9.872 -19.495 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.039 -16.911 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.251 -16.627 2.975 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.806 -18.627 1.203 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.023 -18.576 2.787 1.00 0.00 H new ATOM 314 N PRO A 21 10.551 -19.475 4.965 1.00 0.00 N ATOM 315 CA PRO A 21 11.045 -19.542 6.323 1.00 0.00 C ATOM 316 C PRO A 21 12.275 -18.656 6.463 1.00 0.00 C ATOM 317 O PRO A 21 13.243 -19.078 7.094 1.00 0.00 O ATOM 318 CB PRO A 21 11.402 -21.012 6.537 1.00 0.00 C ATOM 319 CG PRO A 21 11.794 -21.470 5.163 1.00 0.00 C ATOM 320 CD PRO A 21 10.948 -20.638 4.202 1.00 0.00 C ATOM 0 HA PRO A 21 10.318 -19.195 7.057 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.219 -21.129 7.249 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.557 -21.580 6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.858 -21.314 4.986 1.00 0.00 H new ATOM 0 HG3 PRO A 21 11.602 -22.535 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.519 -20.354 3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.080 -21.198 3.855 1.00 0.00 H new ATOM 328 N MET A 22 12.218 -17.466 5.884 1.00 0.00 N ATOM 329 CA MET A 22 13.339 -16.544 5.956 1.00 0.00 C ATOM 330 C MET A 22 12.854 -15.094 5.998 1.00 0.00 C ATOM 331 O MET A 22 13.482 -14.179 5.469 1.00 0.00 O ATOM 332 CB MET A 22 14.245 -16.745 4.740 1.00 0.00 C ATOM 333 CG MET A 22 13.559 -16.263 3.460 1.00 0.00 C ATOM 334 SD MET A 22 14.596 -16.603 2.047 1.00 0.00 S ATOM 335 CE MET A 22 13.891 -15.466 0.865 1.00 0.00 C ATOM 0 H MET A 22 11.413 -17.119 5.363 1.00 0.00 H new ATOM 0 HA MET A 22 13.895 -16.748 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 22 15.179 -16.201 4.884 1.00 0.00 H new ATOM 0 HB3 MET A 22 14.502 -17.800 4.644 1.00 0.00 H new ATOM 0 HG2 MET A 22 12.597 -16.761 3.344 1.00 0.00 H new ATOM 0 HG3 MET A 22 13.358 -15.194 3.526 1.00 0.00 H new ATOM 0 HE1 MET A 22 14.217 -15.737 -0.139 1.00 0.00 H new ATOM 0 HE2 MET A 22 12.803 -15.514 0.918 1.00 0.00 H new ATOM 0 HE3 MET A 22 14.221 -14.453 1.093 1.00 0.00 H new ATOM 345 N TYR A 23 11.705 -14.902 6.649 1.00 0.00 N ATOM 346 CA TYR A 23 11.110 -13.586 6.777 1.00 0.00 C ATOM 347 C TYR A 23 10.283 -13.515 8.053 1.00 0.00 C ATOM 348 O TYR A 23 9.276 -14.214 8.148 1.00 0.00 O ATOM 349 CB TYR A 23 10.244 -13.300 5.554 1.00 0.00 C ATOM 350 CG TYR A 23 9.627 -11.922 5.561 1.00 0.00 C ATOM 351 CD1 TYR A 23 10.441 -10.790 5.438 1.00 0.00 C ATOM 352 CD2 TYR A 23 8.240 -11.777 5.691 1.00 0.00 C ATOM 353 CE1 TYR A 23 9.869 -9.512 5.445 1.00 0.00 C ATOM 354 CE2 TYR A 23 7.668 -10.499 5.698 1.00 0.00 C ATOM 355 CZ TYR A 23 8.482 -9.367 5.575 1.00 0.00 C ATOM 356 OH TYR A 23 7.925 -8.122 5.582 1.00 0.00 O ATOM 0 H TYR A 23 11.172 -15.649 7.094 1.00 0.00 H new ATOM 0 HA TYR A 23 11.895 -12.832 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.850 -13.413 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.450 -14.045 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.510 -10.902 5.338 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.612 -12.651 5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.497 -8.638 5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.599 -10.387 5.798 1.00 0.00 H new ATOM 0 HH TYR A 23 6.953 -8.199 5.679 1.00 0.00 H new ATOM 366 N GLU A 24 10.714 -12.687 8.993 1.00 0.00 N ATOM 367 CA GLU A 24 9.998 -12.543 10.249 1.00 0.00 C ATOM 368 C GLU A 24 9.042 -11.350 10.182 1.00 0.00 C ATOM 369 O GLU A 24 7.877 -11.461 10.559 1.00 0.00 O ATOM 370 CB GLU A 24 10.970 -12.401 11.422 1.00 0.00 C ATOM 371 CG GLU A 24 11.603 -13.749 11.775 1.00 0.00 C ATOM 372 CD GLU A 24 10.927 -14.368 13.000 1.00 0.00 C ATOM 373 OE1 GLU A 24 11.115 -13.801 14.099 1.00 0.00 O ATOM 374 OE2 GLU A 24 10.238 -15.393 12.811 1.00 0.00 O ATOM 0 H GLU A 24 11.550 -12.109 8.910 1.00 0.00 H new ATOM 0 HA GLU A 24 9.410 -13.446 10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.751 -11.684 11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.443 -12.004 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.518 -14.428 10.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.667 -13.615 11.971 1.00 0.00 H new ATOM 381 N ALA A 25 9.571 -10.236 9.698 1.00 0.00 N ATOM 382 CA ALA A 25 8.780 -9.023 9.576 1.00 0.00 C ATOM 383 C ALA A 25 9.511 -8.031 8.670 1.00 0.00 C ATOM 384 O ALA A 25 10.626 -8.267 8.210 1.00 0.00 O ATOM 385 CB ALA A 25 8.507 -8.449 10.969 1.00 0.00 C ATOM 0 H ALA A 25 10.538 -10.148 9.386 1.00 0.00 H new ATOM 0 HA ALA A 25 7.815 -9.239 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.914 -7.539 10.878 1.00 0.00 H new ATOM 0 HB2 ALA A 25 7.960 -9.181 11.563 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.453 -8.218 11.459 1.00 0.00 H new ATOM 391 N PRO A 26 8.847 -6.900 8.420 1.00 0.00 N ATOM 392 CA PRO A 26 9.349 -5.825 7.592 1.00 0.00 C ATOM 393 C PRO A 26 10.546 -5.174 8.270 1.00 0.00 C ATOM 394 O PRO A 26 10.748 -5.398 9.463 1.00 0.00 O ATOM 395 CB PRO A 26 8.185 -4.843 7.475 1.00 0.00 C ATOM 396 CG PRO A 26 6.888 -5.698 7.888 1.00 0.00 C ATOM 397 CD PRO A 26 7.535 -6.590 8.945 1.00 0.00 C ATOM 0 HA PRO A 26 9.685 -6.166 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.321 -3.986 8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.096 -4.453 6.461 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.084 -5.081 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.470 -6.263 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.605 -6.078 9.905 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.951 -7.496 9.109 1.00 0.00 H new ATOM 405 N SER A 27 11.307 -4.396 7.514 1.00 0.00 N ATOM 406 CA SER A 27 12.474 -3.728 8.064 1.00 0.00 C ATOM 407 C SER A 27 12.356 -2.216 7.862 1.00 0.00 C ATOM 408 O SER A 27 13.326 -1.484 8.052 1.00 0.00 O ATOM 409 CB SER A 27 13.761 -4.251 7.421 1.00 0.00 C ATOM 410 OG SER A 27 14.720 -4.650 8.396 1.00 0.00 O ATOM 0 H SER A 27 11.138 -4.213 6.525 1.00 0.00 H new ATOM 0 HA SER A 27 12.520 -3.942 9.132 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.526 -5.098 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.190 -3.476 6.786 1.00 0.00 H new ATOM 0 HG SER A 27 15.526 -4.979 7.946 1.00 0.00 H new ATOM 416 N ILE A 28 11.160 -1.794 7.479 1.00 0.00 N ATOM 417 CA ILE A 28 10.903 -0.383 7.250 1.00 0.00 C ATOM 418 C ILE A 28 12.066 0.221 6.460 1.00 0.00 C ATOM 419 O ILE A 28 12.607 1.259 6.840 1.00 0.00 O ATOM 420 CB ILE A 28 10.621 0.333 8.572 1.00 0.00 C ATOM 421 CG1 ILE A 28 11.787 0.162 9.548 1.00 0.00 C ATOM 422 CG2 ILE A 28 9.295 -0.135 9.177 1.00 0.00 C ATOM 423 CD1 ILE A 28 11.567 0.989 10.816 1.00 0.00 C ATOM 0 H ILE A 28 10.358 -2.405 7.322 1.00 0.00 H new ATOM 0 HA ILE A 28 10.005 -0.253 6.646 1.00 0.00 H new ATOM 0 HB ILE A 28 10.524 1.400 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 28 11.895 -0.890 9.810 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.716 0.468 9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.118 0.389 10.116 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.482 0.080 8.483 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.339 -1.208 9.363 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.410 0.849 11.492 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.484 2.043 10.553 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.650 0.664 11.308 1.00 0.00 H new ATOM 435 N THR A 29 12.417 -0.454 5.376 1.00 0.00 N ATOM 436 CA THR A 29 13.506 0.003 4.529 1.00 0.00 C ATOM 437 C THR A 29 13.431 -0.666 3.155 1.00 0.00 C ATOM 438 O THR A 29 14.456 -1.023 2.578 1.00 0.00 O ATOM 439 CB THR A 29 14.821 -0.266 5.264 1.00 0.00 C ATOM 440 OG1 THR A 29 14.887 0.766 6.245 1.00 0.00 O ATOM 441 CG2 THR A 29 16.046 -0.020 4.381 1.00 0.00 C ATOM 0 H THR A 29 11.967 -1.314 5.064 1.00 0.00 H new ATOM 0 HA THR A 29 13.436 1.074 4.338 1.00 0.00 H new ATOM 0 HB THR A 29 14.833 -1.295 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 29 14.102 1.346 6.163 1.00 0.00 H new ATOM 0 HG21 THR A 29 16.952 -0.225 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 29 16.006 -0.678 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 29 16.053 1.018 4.050 1.00 0.00 H new ATOM 449 N ASP A 30 12.206 -0.815 2.672 1.00 0.00 N ATOM 450 CA ASP A 30 11.983 -1.435 1.376 1.00 0.00 C ATOM 451 C ASP A 30 10.744 -0.816 0.726 1.00 0.00 C ATOM 452 O ASP A 30 10.762 -0.477 -0.456 1.00 0.00 O ATOM 453 CB ASP A 30 11.742 -2.938 1.520 1.00 0.00 C ATOM 454 CG ASP A 30 12.606 -3.821 0.618 1.00 0.00 C ATOM 455 OD1 ASP A 30 12.820 -3.409 -0.543 1.00 0.00 O ATOM 456 OD2 ASP A 30 13.034 -4.888 1.109 1.00 0.00 O ATOM 0 H ASP A 30 11.358 -0.517 3.154 1.00 0.00 H new ATOM 0 HA ASP A 30 12.870 -1.269 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 30 11.919 -3.221 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.693 -3.144 1.308 1.00 0.00 H new ATOM 461 N GLY A 31 9.696 -0.688 1.528 1.00 0.00 N ATOM 462 CA GLY A 31 8.451 -0.116 1.045 1.00 0.00 C ATOM 463 C GLY A 31 8.705 1.181 0.275 1.00 0.00 C ATOM 464 O GLY A 31 7.901 1.573 -0.570 1.00 0.00 O ATOM 0 H GLY A 31 9.684 -0.971 2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.944 -0.833 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.787 0.081 1.886 1.00 0.00 H new ATOM 468 N LYS A 32 9.826 1.811 0.594 1.00 0.00 N ATOM 469 CA LYS A 32 10.196 3.056 -0.058 1.00 0.00 C ATOM 470 C LYS A 32 10.645 2.762 -1.491 1.00 0.00 C ATOM 471 O LYS A 32 10.394 3.553 -2.399 1.00 0.00 O ATOM 472 CB LYS A 32 11.240 3.806 0.772 1.00 0.00 C ATOM 473 CG LYS A 32 12.468 2.930 1.029 1.00 0.00 C ATOM 474 CD LYS A 32 13.737 3.593 0.491 1.00 0.00 C ATOM 475 CE LYS A 32 14.987 2.837 0.946 1.00 0.00 C ATOM 476 NZ LYS A 32 15.953 3.764 1.577 1.00 0.00 N ATOM 0 H LYS A 32 10.490 1.483 1.295 1.00 0.00 H new ATOM 0 HA LYS A 32 9.336 3.722 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.540 4.715 0.251 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.803 4.113 1.722 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.573 2.750 2.099 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.332 1.958 0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.702 3.623 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.786 4.626 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.709 2.055 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.452 2.344 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.795 3.234 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 16.231 4.495 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.512 4.215 2.404 1.00 0.00 H new ATOM 490 N ILE A 33 11.302 1.623 -1.650 1.00 0.00 N ATOM 491 CA ILE A 33 11.789 1.215 -2.957 1.00 0.00 C ATOM 492 C ILE A 33 10.673 0.483 -3.706 1.00 0.00 C ATOM 493 O ILE A 33 10.886 -0.017 -4.809 1.00 0.00 O ATOM 494 CB ILE A 33 13.075 0.398 -2.819 1.00 0.00 C ATOM 495 CG1 ILE A 33 14.097 1.129 -1.945 1.00 0.00 C ATOM 496 CG2 ILE A 33 13.647 0.040 -4.192 1.00 0.00 C ATOM 497 CD1 ILE A 33 15.045 0.139 -1.265 1.00 0.00 C ATOM 0 H ILE A 33 11.509 0.969 -0.895 1.00 0.00 H new ATOM 0 HA ILE A 33 12.056 2.087 -3.553 1.00 0.00 H new ATOM 0 HB ILE A 33 12.833 -0.539 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 33 14.671 1.826 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.579 1.719 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.561 -0.541 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 33 12.917 -0.549 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.871 0.954 -4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 33 15.761 0.684 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 33 14.471 -0.541 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.580 -0.432 -2.024 1.00 0.00 H new ATOM 509 N PHE A 34 9.508 0.443 -3.076 1.00 0.00 N ATOM 510 CA PHE A 34 8.359 -0.220 -3.669 1.00 0.00 C ATOM 511 C PHE A 34 7.166 0.734 -3.765 1.00 0.00 C ATOM 512 O PHE A 34 6.016 0.303 -3.703 1.00 0.00 O ATOM 513 CB PHE A 34 7.991 -1.386 -2.749 1.00 0.00 C ATOM 514 CG PHE A 34 6.734 -2.145 -3.179 1.00 0.00 C ATOM 515 CD1 PHE A 34 6.723 -2.833 -4.352 1.00 0.00 C ATOM 516 CD2 PHE A 34 5.628 -2.131 -2.388 1.00 0.00 C ATOM 517 CE1 PHE A 34 5.556 -3.537 -4.750 1.00 0.00 C ATOM 518 CE2 PHE A 34 4.461 -2.835 -2.786 1.00 0.00 C ATOM 519 CZ PHE A 34 4.450 -3.523 -3.959 1.00 0.00 C ATOM 0 H PHE A 34 9.335 0.859 -2.161 1.00 0.00 H new ATOM 0 HA PHE A 34 8.603 -0.558 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.828 -2.083 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.845 -1.006 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 34 7.601 -2.844 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.637 -1.584 -1.457 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.547 -4.084 -5.681 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.583 -2.824 -2.158 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.563 -4.058 -4.262 1.00 0.00 H new ATOM 529 N PHE A 35 7.482 2.011 -3.916 1.00 0.00 N ATOM 530 CA PHE A 35 6.450 3.029 -4.022 1.00 0.00 C ATOM 531 C PHE A 35 6.878 4.147 -4.976 1.00 0.00 C ATOM 532 O PHE A 35 6.077 4.625 -5.777 1.00 0.00 O ATOM 533 CB PHE A 35 6.255 3.616 -2.623 1.00 0.00 C ATOM 534 CG PHE A 35 5.057 4.560 -2.505 1.00 0.00 C ATOM 535 CD1 PHE A 35 3.799 4.093 -2.725 1.00 0.00 C ATOM 536 CD2 PHE A 35 5.250 5.867 -2.181 1.00 0.00 C ATOM 537 CE1 PHE A 35 2.687 4.969 -2.616 1.00 0.00 C ATOM 538 CE2 PHE A 35 4.137 6.743 -2.072 1.00 0.00 C ATOM 539 CZ PHE A 35 2.879 6.275 -2.292 1.00 0.00 C ATOM 0 H PHE A 35 8.437 2.365 -3.968 1.00 0.00 H new ATOM 0 HA PHE A 35 5.532 2.588 -4.410 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.132 2.799 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.158 4.155 -2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.646 3.055 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.249 6.239 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 35 1.688 4.597 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.290 7.781 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.033 6.941 -2.209 1.00 0.00 H new ATOM 549 N ASN A 36 8.141 4.530 -4.858 1.00 0.00 N ATOM 550 CA ASN A 36 8.686 5.582 -5.700 1.00 0.00 C ATOM 551 C ASN A 36 9.491 4.953 -6.838 1.00 0.00 C ATOM 552 O ASN A 36 10.147 5.659 -7.603 1.00 0.00 O ATOM 553 CB ASN A 36 9.623 6.493 -4.905 1.00 0.00 C ATOM 554 CG ASN A 36 8.878 7.181 -3.759 1.00 0.00 C ATOM 555 OD1 ASN A 36 8.413 8.303 -3.871 1.00 0.00 O ATOM 556 ND2 ASN A 36 8.791 6.446 -2.653 1.00 0.00 N ATOM 0 H ASN A 36 8.803 4.131 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 36 7.854 6.170 -6.087 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.452 5.908 -4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.053 7.245 -5.567 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.312 6.815 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.203 5.513 -2.627 1.00 0.00 H new ATOM 563 N ARG A 37 9.414 3.632 -6.915 1.00 0.00 N ATOM 564 CA ARG A 37 10.128 2.900 -7.948 1.00 0.00 C ATOM 565 C ARG A 37 9.361 2.963 -9.270 1.00 0.00 C ATOM 566 O ARG A 37 8.548 2.087 -9.562 1.00 0.00 O ATOM 567 CB ARG A 37 10.325 1.436 -7.549 1.00 0.00 C ATOM 568 CG ARG A 37 11.473 0.803 -8.337 1.00 0.00 C ATOM 569 CD ARG A 37 11.991 -0.454 -7.635 1.00 0.00 C ATOM 570 NE ARG A 37 12.253 -1.518 -8.631 1.00 0.00 N ATOM 571 CZ ARG A 37 11.321 -2.363 -9.091 1.00 0.00 C ATOM 572 NH1 ARG A 37 10.060 -2.275 -8.647 1.00 0.00 N ATOM 573 NH2 ARG A 37 11.650 -3.297 -9.994 1.00 0.00 N ATOM 0 H ARG A 37 8.868 3.050 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 37 11.106 3.366 -8.069 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.533 1.371 -6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.405 0.879 -7.729 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.133 0.549 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.284 1.523 -8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.905 -0.224 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.260 -0.800 -6.904 1.00 0.00 H new ATOM 0 HE ARG A 37 13.203 -1.613 -8.989 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.810 -1.565 -7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.350 -2.918 -8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.610 -3.365 -10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.940 -3.940 -10.344 1.00 0.00 H new ATOM 587 N LYS A 38 9.645 4.008 -10.033 1.00 0.00 N ATOM 588 CA LYS A 38 8.991 4.196 -11.317 1.00 0.00 C ATOM 589 C LYS A 38 9.048 2.889 -12.110 1.00 0.00 C ATOM 590 O LYS A 38 10.080 2.553 -12.689 1.00 0.00 O ATOM 591 CB LYS A 38 9.598 5.390 -12.057 1.00 0.00 C ATOM 592 CG LYS A 38 9.126 5.432 -13.512 1.00 0.00 C ATOM 593 CD LYS A 38 9.884 6.498 -14.304 1.00 0.00 C ATOM 594 CE LYS A 38 11.378 6.175 -14.368 1.00 0.00 C ATOM 595 NZ LYS A 38 11.590 4.800 -14.874 1.00 0.00 N ATOM 0 H LYS A 38 10.319 4.733 -9.787 1.00 0.00 H new ATOM 0 HA LYS A 38 7.938 4.438 -11.176 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.318 6.315 -11.553 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.686 5.327 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.275 4.456 -13.974 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.057 5.641 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 9.479 6.563 -15.314 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.739 7.473 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.883 6.890 -15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.821 6.277 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.601 4.655 -15.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.275 4.114 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.043 4.664 -15.748 1.00 0.00 H new ATOM 609 N PHE A 39 7.925 2.186 -12.111 1.00 0.00 N ATOM 610 CA PHE A 39 7.833 0.923 -12.823 1.00 0.00 C ATOM 611 C PHE A 39 6.952 1.057 -14.067 1.00 0.00 C ATOM 612 O PHE A 39 6.178 2.006 -14.185 1.00 0.00 O ATOM 613 CB PHE A 39 7.193 -0.085 -11.867 1.00 0.00 C ATOM 614 CG PHE A 39 5.826 0.347 -11.332 1.00 0.00 C ATOM 615 CD1 PHE A 39 4.711 0.165 -12.090 1.00 0.00 C ATOM 616 CD2 PHE A 39 5.725 0.912 -10.099 1.00 0.00 C ATOM 617 CE1 PHE A 39 3.442 0.565 -11.594 1.00 0.00 C ATOM 618 CE2 PHE A 39 4.456 1.312 -9.603 1.00 0.00 C ATOM 619 CZ PHE A 39 3.342 1.130 -10.361 1.00 0.00 C ATOM 0 H PHE A 39 7.071 2.467 -11.630 1.00 0.00 H new ATOM 0 HA PHE A 39 8.825 0.606 -13.145 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.085 -1.040 -12.381 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.866 -0.250 -11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.791 -0.284 -13.069 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.610 1.056 -9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.557 0.421 -12.196 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.376 1.761 -8.624 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.377 1.434 -9.984 1.00 0.00 H new ATOM 629 N LYS A 40 7.101 0.094 -14.965 1.00 0.00 N ATOM 630 CA LYS A 40 6.328 0.093 -16.196 1.00 0.00 C ATOM 631 C LYS A 40 5.305 -1.043 -16.150 1.00 0.00 C ATOM 632 O LYS A 40 5.634 -2.164 -15.765 1.00 0.00 O ATOM 633 CB LYS A 40 7.257 0.036 -17.411 1.00 0.00 C ATOM 634 CG LYS A 40 7.021 1.230 -18.338 1.00 0.00 C ATOM 635 CD LYS A 40 7.224 0.836 -19.802 1.00 0.00 C ATOM 636 CE LYS A 40 8.372 1.630 -20.429 1.00 0.00 C ATOM 637 NZ LYS A 40 7.849 2.807 -21.159 1.00 0.00 N ATOM 0 H LYS A 40 7.745 -0.691 -14.865 1.00 0.00 H new ATOM 0 HA LYS A 40 5.768 1.023 -16.295 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.295 0.028 -17.079 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.090 -0.892 -17.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.009 1.610 -18.197 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.704 2.038 -18.077 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.436 -0.231 -19.869 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.306 1.015 -20.361 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.065 1.954 -19.652 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.934 0.992 -21.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.641 3.335 -21.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.206 2.491 -21.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.333 3.423 -20.499 1.00 0.00 H new ATOM 651 N THR A 41 4.085 -0.715 -16.548 1.00 0.00 N ATOM 652 CA THR A 41 3.011 -1.694 -16.557 1.00 0.00 C ATOM 653 C THR A 41 3.030 -2.494 -17.861 1.00 0.00 C ATOM 654 O THR A 41 3.493 -2.034 -18.902 1.00 0.00 O ATOM 655 CB THR A 41 1.694 -0.953 -16.317 1.00 0.00 C ATOM 656 OG1 THR A 41 1.413 -0.331 -17.568 1.00 0.00 O ATOM 657 CG2 THR A 41 1.849 0.218 -15.345 1.00 0.00 C ATOM 0 H THR A 41 3.816 0.216 -16.867 1.00 0.00 H new ATOM 0 HA THR A 41 3.137 -2.428 -15.761 1.00 0.00 H new ATOM 0 HB THR A 41 0.951 -1.650 -15.929 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.030 0.418 -17.707 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.885 0.709 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.205 -0.152 -14.384 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.567 0.932 -15.748 1.00 0.00 H new ATOM 665 N PRO A 42 2.508 -3.720 -17.778 1.00 0.00 N ATOM 666 CA PRO A 42 2.422 -4.646 -18.886 1.00 0.00 C ATOM 667 C PRO A 42 1.502 -4.077 -19.957 1.00 0.00 C ATOM 668 O PRO A 42 1.435 -4.645 -21.046 1.00 0.00 O ATOM 669 CB PRO A 42 1.839 -5.923 -18.285 1.00 0.00 C ATOM 670 CG PRO A 42 1.003 -5.385 -17.051 1.00 0.00 C ATOM 671 CD PRO A 42 1.955 -4.292 -16.570 1.00 0.00 C ATOM 0 HA PRO A 42 3.386 -4.831 -19.360 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.209 -6.454 -18.999 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.620 -6.616 -17.972 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.028 -4.995 -17.342 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.827 -6.151 -16.296 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.428 -3.540 -15.982 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.738 -4.703 -15.933 1.00 0.00 H new ATOM 679 N SER A 43 0.820 -2.988 -19.636 1.00 0.00 N ATOM 680 CA SER A 43 -0.088 -2.366 -20.585 1.00 0.00 C ATOM 681 C SER A 43 0.681 -1.399 -21.487 1.00 0.00 C ATOM 682 O SER A 43 0.124 -0.861 -22.443 1.00 0.00 O ATOM 683 CB SER A 43 -1.221 -1.633 -19.864 1.00 0.00 C ATOM 684 OG SER A 43 -0.881 -0.280 -19.572 1.00 0.00 O ATOM 0 H SER A 43 0.878 -2.520 -18.732 1.00 0.00 H new ATOM 0 HA SER A 43 -0.532 -3.150 -21.198 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.119 -1.656 -20.482 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.459 -2.155 -18.937 1.00 0.00 H new ATOM 0 HG SER A 43 -0.134 -0.260 -18.939 1.00 0.00 H new ATOM 690 N GLY A 44 1.948 -1.207 -21.152 1.00 0.00 N ATOM 691 CA GLY A 44 2.799 -0.314 -21.920 1.00 0.00 C ATOM 692 C GLY A 44 2.630 1.135 -21.459 1.00 0.00 C ATOM 693 O GLY A 44 2.121 1.972 -22.203 1.00 0.00 O ATOM 0 H GLY A 44 2.406 -1.655 -20.358 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.841 -0.615 -21.811 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.554 -0.393 -22.979 1.00 0.00 H new ATOM 697 N LYS A 45 3.067 1.388 -20.234 1.00 0.00 N ATOM 698 CA LYS A 45 2.971 2.721 -19.665 1.00 0.00 C ATOM 699 C LYS A 45 3.730 2.760 -18.337 1.00 0.00 C ATOM 700 O LYS A 45 3.653 1.821 -17.546 1.00 0.00 O ATOM 701 CB LYS A 45 1.507 3.150 -19.549 1.00 0.00 C ATOM 702 CG LYS A 45 1.385 4.674 -19.501 1.00 0.00 C ATOM 703 CD LYS A 45 -0.040 5.121 -19.833 1.00 0.00 C ATOM 704 CE LYS A 45 -0.605 6.018 -18.730 1.00 0.00 C ATOM 705 NZ LYS A 45 -2.035 5.715 -18.496 1.00 0.00 N ATOM 0 H LYS A 45 3.489 0.692 -19.620 1.00 0.00 H new ATOM 0 HA LYS A 45 3.442 3.451 -20.324 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.943 2.763 -20.397 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.068 2.718 -18.650 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.661 5.033 -18.510 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.084 5.121 -20.208 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.045 5.658 -20.781 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.679 4.247 -19.959 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.041 5.871 -17.809 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.490 7.065 -19.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.402 6.333 -17.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.572 5.878 -19.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.137 4.721 -18.207 1.00 0.00 H new ATOM 719 N GLU A 46 4.445 3.856 -18.132 1.00 0.00 N ATOM 720 CA GLU A 46 5.217 4.030 -16.913 1.00 0.00 C ATOM 721 C GLU A 46 4.361 4.695 -15.834 1.00 0.00 C ATOM 722 O GLU A 46 3.829 5.784 -16.042 1.00 0.00 O ATOM 723 CB GLU A 46 6.489 4.837 -17.180 1.00 0.00 C ATOM 724 CG GLU A 46 7.632 4.376 -16.274 1.00 0.00 C ATOM 725 CD GLU A 46 8.988 4.792 -16.846 1.00 0.00 C ATOM 726 OE1 GLU A 46 9.052 5.912 -17.397 1.00 0.00 O ATOM 727 OE2 GLU A 46 9.931 3.980 -16.720 1.00 0.00 O ATOM 0 H GLU A 46 4.506 4.633 -18.790 1.00 0.00 H new ATOM 0 HA GLU A 46 5.520 3.046 -16.554 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.781 4.727 -18.224 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.293 5.896 -17.014 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.507 4.803 -15.279 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.598 3.292 -16.162 1.00 0.00 H new ATOM 734 N ALA A 47 4.256 4.013 -14.703 1.00 0.00 N ATOM 735 CA ALA A 47 3.474 4.524 -13.590 1.00 0.00 C ATOM 736 C ALA A 47 4.278 4.374 -12.297 1.00 0.00 C ATOM 737 O ALA A 47 5.416 3.908 -12.319 1.00 0.00 O ATOM 738 CB ALA A 47 2.132 3.793 -13.530 1.00 0.00 C ATOM 0 H ALA A 47 4.700 3.110 -14.533 1.00 0.00 H new ATOM 0 HA ALA A 47 3.261 5.584 -13.725 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.546 4.177 -12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.588 3.955 -14.460 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.305 2.726 -13.392 1.00 0.00 H new ATOM 744 N ALA A 48 3.654 4.778 -11.200 1.00 0.00 N ATOM 745 CA ALA A 48 4.297 4.695 -9.899 1.00 0.00 C ATOM 746 C ALA A 48 3.236 4.811 -8.803 1.00 0.00 C ATOM 747 O ALA A 48 2.194 5.431 -9.006 1.00 0.00 O ATOM 748 CB ALA A 48 5.370 5.779 -9.790 1.00 0.00 C ATOM 0 H ALA A 48 2.710 5.164 -11.185 1.00 0.00 H new ATOM 0 HA ALA A 48 4.793 3.732 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.852 5.717 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.115 5.634 -10.573 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.909 6.760 -9.905 1.00 0.00 H new ATOM 754 N CYS A 49 3.539 4.204 -7.665 1.00 0.00 N ATOM 755 CA CYS A 49 2.624 4.232 -6.536 1.00 0.00 C ATOM 756 C CYS A 49 2.493 5.679 -6.059 1.00 0.00 C ATOM 757 O CYS A 49 1.594 6.002 -5.284 1.00 0.00 O ATOM 758 CB CYS A 49 3.084 3.300 -5.412 1.00 0.00 C ATOM 759 SG CYS A 49 3.318 1.555 -5.910 1.00 0.00 S ATOM 0 H CYS A 49 4.405 3.690 -7.500 1.00 0.00 H new ATOM 0 HA CYS A 49 1.647 3.864 -6.848 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.024 3.677 -5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.352 3.338 -4.605 1.00 0.00 H new ATOM 764 N ALA A 50 3.402 6.513 -6.543 1.00 0.00 N ATOM 765 CA ALA A 50 3.399 7.919 -6.176 1.00 0.00 C ATOM 766 C ALA A 50 2.780 8.736 -7.311 1.00 0.00 C ATOM 767 O ALA A 50 2.744 9.964 -7.248 1.00 0.00 O ATOM 768 CB ALA A 50 4.826 8.364 -5.848 1.00 0.00 C ATOM 0 H ALA A 50 4.146 6.242 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 50 2.794 8.082 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.824 9.419 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.209 7.773 -5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.462 8.218 -6.721 1.00 0.00 H new ATOM 774 N SER A 51 2.307 8.022 -8.322 1.00 0.00 N ATOM 775 CA SER A 51 1.691 8.667 -9.469 1.00 0.00 C ATOM 776 C SER A 51 0.290 9.161 -9.102 1.00 0.00 C ATOM 777 O SER A 51 -0.207 10.121 -9.689 1.00 0.00 O ATOM 778 CB SER A 51 1.621 7.714 -10.664 1.00 0.00 C ATOM 779 OG SER A 51 0.726 6.630 -10.431 1.00 0.00 O ATOM 0 H SER A 51 2.338 7.004 -8.371 1.00 0.00 H new ATOM 0 HA SER A 51 2.307 9.520 -9.754 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.301 8.265 -11.548 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.616 7.323 -10.875 1.00 0.00 H new ATOM 0 HG SER A 51 1.236 5.837 -10.164 1.00 0.00 H new ATOM 785 N CYS A 52 -0.307 8.483 -8.133 1.00 0.00 N ATOM 786 CA CYS A 52 -1.640 8.841 -7.681 1.00 0.00 C ATOM 787 C CYS A 52 -1.572 9.153 -6.185 1.00 0.00 C ATOM 788 O CYS A 52 -2.104 10.162 -5.726 1.00 0.00 O ATOM 789 CB CYS A 52 -2.657 7.740 -7.989 1.00 0.00 C ATOM 790 SG CYS A 52 -2.818 7.525 -9.799 1.00 0.00 S ATOM 0 H CYS A 52 0.108 7.687 -7.648 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.985 9.723 -8.220 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.341 6.803 -7.530 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.625 7.996 -7.557 1.00 0.00 H new ATOM 795 N HIS A 53 -0.906 8.259 -5.452 1.00 0.00 N ATOM 796 CA HIS A 53 -0.736 8.387 -4.010 1.00 0.00 C ATOM 797 C HIS A 53 0.449 9.322 -3.706 1.00 0.00 C ATOM 798 O HIS A 53 0.928 9.365 -2.573 1.00 0.00 O ATOM 799 CB HIS A 53 -0.608 6.984 -3.398 1.00 0.00 C ATOM 800 CG HIS A 53 -1.717 6.005 -3.705 1.00 0.00 C ATOM 801 ND1 HIS A 53 -2.963 6.164 -3.250 1.00 0.00 N ATOM 802 CD2 HIS A 53 -1.723 4.843 -4.440 1.00 0.00 C ATOM 803 CE1 HIS A 53 -3.717 5.142 -3.685 1.00 0.00 C ATOM 804 NE2 HIS A 53 -3.001 4.297 -4.424 1.00 0.00 N ATOM 0 H HIS A 53 -0.470 7.425 -5.846 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.605 8.852 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 53 0.333 6.550 -3.737 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.538 7.090 -2.315 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -3.288 6.936 -2.667 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.869 4.421 -4.949 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.767 5.021 -3.464 1.00 0.00 H new ATOM 812 N THR A 54 0.881 10.040 -4.731 1.00 0.00 N ATOM 813 CA THR A 54 1.993 10.964 -4.582 1.00 0.00 C ATOM 814 C THR A 54 3.183 10.264 -3.922 1.00 0.00 C ATOM 815 O THR A 54 3.061 9.133 -3.454 1.00 0.00 O ATOM 816 CB THR A 54 1.495 12.182 -3.801 1.00 0.00 C ATOM 817 OG1 THR A 54 0.950 11.629 -2.606 1.00 0.00 O ATOM 818 CG2 THR A 54 0.302 12.861 -4.475 1.00 0.00 C ATOM 0 H THR A 54 0.481 10.001 -5.669 1.00 0.00 H new ATOM 0 HA THR A 54 2.354 11.307 -5.551 1.00 0.00 H new ATOM 0 HB THR A 54 2.308 12.900 -3.692 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.477 10.847 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.012 13.719 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.589 13.196 -5.472 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.523 12.153 -4.554 1.00 0.00 H new ATOM 826 N ASN A 55 4.307 10.966 -3.905 1.00 0.00 N ATOM 827 CA ASN A 55 5.517 10.426 -3.310 1.00 0.00 C ATOM 828 C ASN A 55 5.222 9.983 -1.876 1.00 0.00 C ATOM 829 O ASN A 55 5.938 9.153 -1.319 1.00 0.00 O ATOM 830 CB ASN A 55 6.625 11.480 -3.262 1.00 0.00 C ATOM 831 CG ASN A 55 6.175 12.711 -2.471 1.00 0.00 C ATOM 832 OD1 ASN A 55 6.195 12.739 -1.252 1.00 0.00 O ATOM 833 ND2 ASN A 55 5.771 13.724 -3.232 1.00 0.00 N ATOM 0 H ASN A 55 4.405 11.904 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 55 5.846 9.585 -3.920 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.517 11.054 -2.803 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.897 11.774 -4.276 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.452 14.591 -2.800 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.780 13.634 -4.248 1.00 0.00 H new ATOM 840 N ASN A 56 4.166 10.557 -1.319 1.00 0.00 N ATOM 841 CA ASN A 56 3.767 10.233 0.040 1.00 0.00 C ATOM 842 C ASN A 56 2.252 10.019 0.085 1.00 0.00 C ATOM 843 O ASN A 56 1.462 10.865 -0.326 1.00 0.00 O ATOM 844 CB ASN A 56 4.112 11.371 1.002 1.00 0.00 C ATOM 845 CG ASN A 56 4.564 10.824 2.358 1.00 0.00 C ATOM 846 OD1 ASN A 56 5.279 9.840 2.453 1.00 0.00 O ATOM 847 ND2 ASN A 56 4.108 11.515 3.399 1.00 0.00 N ATOM 0 H ASN A 56 3.574 11.245 -1.784 1.00 0.00 H new ATOM 0 HA ASN A 56 4.300 9.332 0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.902 11.988 0.573 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.243 12.014 1.137 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.353 11.230 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.513 12.330 3.249 1.00 0.00 H new ATOM 854 N PRO A 57 1.863 8.851 0.601 1.00 0.00 N ATOM 855 CA PRO A 57 0.482 8.441 0.742 1.00 0.00 C ATOM 856 C PRO A 57 -0.186 9.264 1.834 1.00 0.00 C ATOM 857 O PRO A 57 -1.325 9.688 1.646 1.00 0.00 O ATOM 858 CB PRO A 57 0.549 6.966 1.130 1.00 0.00 C ATOM 859 CG PRO A 57 1.872 6.832 1.821 1.00 0.00 C ATOM 860 CD PRO A 57 2.766 7.834 1.094 1.00 0.00 C ATOM 0 HA PRO A 57 -0.100 8.589 -0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.275 6.689 1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.489 6.320 0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.794 7.063 2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.263 5.817 1.743 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.511 8.260 1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.309 7.359 0.277 1.00 0.00 H new ATOM 868 N ALA A 58 0.519 9.470 2.937 1.00 0.00 N ATOM 869 CA ALA A 58 -0.027 10.241 4.041 1.00 0.00 C ATOM 870 C ALA A 58 -0.457 11.618 3.533 1.00 0.00 C ATOM 871 O ALA A 58 -1.218 12.319 4.198 1.00 0.00 O ATOM 872 CB ALA A 58 1.009 10.331 5.163 1.00 0.00 C ATOM 0 H ALA A 58 1.463 9.116 3.090 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.910 9.751 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.599 10.909 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.258 9.328 5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.909 10.820 4.789 1.00 0.00 H new ATOM 878 N ASN A 59 0.049 11.965 2.358 1.00 0.00 N ATOM 879 CA ASN A 59 -0.273 13.245 1.753 1.00 0.00 C ATOM 880 C ASN A 59 -1.508 13.088 0.864 1.00 0.00 C ATOM 881 O ASN A 59 -1.968 11.973 0.626 1.00 0.00 O ATOM 882 CB ASN A 59 0.878 13.747 0.879 1.00 0.00 C ATOM 883 CG ASN A 59 0.913 15.276 0.841 1.00 0.00 C ATOM 884 OD1 ASN A 59 -0.003 15.954 1.277 1.00 0.00 O ATOM 885 ND2 ASN A 59 2.017 15.778 0.296 1.00 0.00 N ATOM 0 H ASN A 59 0.680 11.381 1.809 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.455 13.960 2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.824 13.368 1.265 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.767 13.357 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.136 16.788 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.745 15.153 -0.049 1.00 0.00 H new ATOM 892 N VAL A 60 -2.011 14.222 0.398 1.00 0.00 N ATOM 893 CA VAL A 60 -3.184 14.224 -0.460 1.00 0.00 C ATOM 894 C VAL A 60 -2.794 13.721 -1.851 1.00 0.00 C ATOM 895 O VAL A 60 -1.819 14.192 -2.435 1.00 0.00 O ATOM 896 CB VAL A 60 -3.812 15.619 -0.483 1.00 0.00 C ATOM 897 CG1 VAL A 60 -4.950 15.691 -1.504 1.00 0.00 C ATOM 898 CG2 VAL A 60 -4.300 16.024 0.910 1.00 0.00 C ATOM 0 H VAL A 60 -1.628 15.146 0.598 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.944 13.546 -0.071 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.042 16.328 -0.788 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.379 16.693 -1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.562 15.466 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.720 14.965 -1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.742 17.019 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.048 15.310 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.458 16.031 1.603 1.00 0.00 H new ATOM 908 N GLY A 61 -3.576 12.770 -2.342 1.00 0.00 N ATOM 909 CA GLY A 61 -3.325 12.198 -3.653 1.00 0.00 C ATOM 910 C GLY A 61 -4.263 12.798 -4.702 1.00 0.00 C ATOM 911 O GLY A 61 -5.021 13.720 -4.407 1.00 0.00 O ATOM 0 H GLY A 61 -4.384 12.382 -1.855 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.289 12.379 -3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.461 11.117 -3.614 1.00 0.00 H new ATOM 915 N LYS A 62 -4.181 12.250 -5.906 1.00 0.00 N ATOM 916 CA LYS A 62 -5.014 12.720 -7.000 1.00 0.00 C ATOM 917 C LYS A 62 -5.095 11.635 -8.075 1.00 0.00 C ATOM 918 O LYS A 62 -4.081 11.041 -8.441 1.00 0.00 O ATOM 919 CB LYS A 62 -4.505 14.065 -7.521 1.00 0.00 C ATOM 920 CG LYS A 62 -5.285 14.503 -8.762 1.00 0.00 C ATOM 921 CD LYS A 62 -4.804 15.868 -9.259 1.00 0.00 C ATOM 922 CE LYS A 62 -5.808 16.480 -10.238 1.00 0.00 C ATOM 923 NZ LYS A 62 -5.114 17.342 -11.220 1.00 0.00 N ATOM 0 H LYS A 62 -3.551 11.485 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.031 12.903 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.601 14.821 -6.741 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.445 13.988 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.165 13.761 -9.552 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.349 14.551 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.662 16.538 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.835 15.761 -9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.347 15.688 -10.758 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.548 17.064 -9.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.810 17.749 -11.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.619 18.108 -10.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.425 16.775 -11.754 1.00 0.00 H new ATOM 937 N ASN A 63 -6.310 11.409 -8.553 1.00 0.00 N ATOM 938 CA ASN A 63 -6.537 10.406 -9.579 1.00 0.00 C ATOM 939 C ASN A 63 -6.284 11.024 -10.955 1.00 0.00 C ATOM 940 O ASN A 63 -6.833 12.077 -11.277 1.00 0.00 O ATOM 941 CB ASN A 63 -7.980 9.900 -9.546 1.00 0.00 C ATOM 942 CG ASN A 63 -8.190 8.916 -8.393 1.00 0.00 C ATOM 943 OD1 ASN A 63 -7.256 8.460 -7.754 1.00 0.00 O ATOM 944 ND2 ASN A 63 -9.465 8.615 -8.164 1.00 0.00 N ATOM 0 H ASN A 63 -7.148 11.904 -8.248 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.859 9.573 -9.392 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.662 10.743 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.221 9.414 -10.492 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.709 7.967 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.198 9.033 -8.737 1.00 0.00 H new ATOM 951 N ILE A 64 -5.453 10.344 -11.731 1.00 0.00 N ATOM 952 CA ILE A 64 -5.121 10.813 -13.065 1.00 0.00 C ATOM 953 C ILE A 64 -6.197 10.348 -14.048 1.00 0.00 C ATOM 954 O ILE A 64 -6.054 10.518 -15.257 1.00 0.00 O ATOM 955 CB ILE A 64 -3.706 10.376 -13.451 1.00 0.00 C ATOM 956 CG1 ILE A 64 -3.689 8.916 -13.907 1.00 0.00 C ATOM 957 CG2 ILE A 64 -2.723 10.630 -12.307 1.00 0.00 C ATOM 958 CD1 ILE A 64 -2.298 8.512 -14.401 1.00 0.00 C ATOM 0 H ILE A 64 -4.999 9.471 -11.461 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.112 11.903 -13.093 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.380 10.982 -14.297 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.987 8.270 -13.081 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.418 8.772 -14.704 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.725 10.311 -12.607 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.708 11.694 -12.070 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.035 10.067 -11.427 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.313 7.470 -14.719 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.013 9.144 -15.242 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.576 8.634 -13.594 1.00 0.00 H new ATOM 970 N VAL A 65 -7.251 9.770 -13.491 1.00 0.00 N ATOM 971 CA VAL A 65 -8.351 9.279 -14.302 1.00 0.00 C ATOM 972 C VAL A 65 -9.369 10.403 -14.509 1.00 0.00 C ATOM 973 O VAL A 65 -9.718 10.728 -15.643 1.00 0.00 O ATOM 974 CB VAL A 65 -8.961 8.032 -13.659 1.00 0.00 C ATOM 975 CG1 VAL A 65 -10.243 7.613 -14.381 1.00 0.00 C ATOM 976 CG2 VAL A 65 -7.951 6.883 -13.624 1.00 0.00 C ATOM 0 H VAL A 65 -7.366 9.631 -12.487 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.993 8.978 -15.287 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.222 8.280 -12.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.656 6.724 -13.904 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.971 8.423 -14.330 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.018 7.393 -15.424 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.410 6.009 -13.162 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.644 6.637 -14.641 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.078 7.183 -13.044 1.00 0.00 H new ATOM 986 N THR A 66 -9.815 10.965 -13.396 1.00 0.00 N ATOM 987 CA THR A 66 -10.785 12.046 -13.440 1.00 0.00 C ATOM 988 C THR A 66 -10.130 13.368 -13.038 1.00 0.00 C ATOM 989 O THR A 66 -10.491 14.426 -13.551 1.00 0.00 O ATOM 990 CB THR A 66 -11.967 11.658 -12.550 1.00 0.00 C ATOM 991 OG1 THR A 66 -11.377 11.416 -11.275 1.00 0.00 O ATOM 992 CG2 THR A 66 -12.576 10.309 -12.940 1.00 0.00 C ATOM 0 H THR A 66 -9.523 10.692 -12.458 1.00 0.00 H new ATOM 0 HA THR A 66 -11.159 12.200 -14.452 1.00 0.00 H new ATOM 0 HB THR A 66 -12.732 12.432 -12.606 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.074 11.160 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.411 10.081 -12.277 1.00 0.00 H new ATOM 0 HG22 THR A 66 -12.932 10.354 -13.969 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.820 9.529 -12.852 1.00 0.00 H new ATOM 1000 N GLY A 67 -9.177 13.265 -12.122 1.00 0.00 N ATOM 1001 CA GLY A 67 -8.468 14.439 -11.644 1.00 0.00 C ATOM 1002 C GLY A 67 -9.283 15.178 -10.581 1.00 0.00 C ATOM 1003 O GLY A 67 -9.242 16.404 -10.503 1.00 0.00 O ATOM 0 H GLY A 67 -8.880 12.386 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.505 14.142 -11.228 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.261 15.108 -12.479 1.00 0.00 H new ATOM 1007 N LYS A 68 -10.005 14.399 -9.788 1.00 0.00 N ATOM 1008 CA LYS A 68 -10.828 14.964 -8.733 1.00 0.00 C ATOM 1009 C LYS A 68 -9.939 15.350 -7.549 1.00 0.00 C ATOM 1010 O LYS A 68 -9.382 16.447 -7.519 1.00 0.00 O ATOM 1011 CB LYS A 68 -11.960 14.002 -8.363 1.00 0.00 C ATOM 1012 CG LYS A 68 -13.137 14.142 -9.331 1.00 0.00 C ATOM 1013 CD LYS A 68 -14.170 15.136 -8.797 1.00 0.00 C ATOM 1014 CE LYS A 68 -15.564 14.508 -8.753 1.00 0.00 C ATOM 1015 NZ LYS A 68 -15.841 13.956 -7.407 1.00 0.00 N ATOM 0 H LYS A 68 -10.037 13.382 -9.855 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.315 15.876 -9.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.591 12.977 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.295 14.203 -7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.775 14.475 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.606 13.170 -9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -13.883 15.463 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.187 16.023 -9.430 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -16.315 15.256 -9.007 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.637 13.717 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.791 13.533 -7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.135 13.228 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.792 14.719 -6.702 1.00 0.00 H new ATOM 1029 N GLU A 69 -9.833 14.428 -6.604 1.00 0.00 N ATOM 1030 CA GLU A 69 -9.020 14.658 -5.422 1.00 0.00 C ATOM 1031 C GLU A 69 -9.086 13.448 -4.488 1.00 0.00 C ATOM 1032 O GLU A 69 -10.164 13.071 -4.029 1.00 0.00 O ATOM 1033 CB GLU A 69 -9.456 15.934 -4.697 1.00 0.00 C ATOM 1034 CG GLU A 69 -10.788 15.726 -3.975 1.00 0.00 C ATOM 1035 CD GLU A 69 -11.331 17.051 -3.435 1.00 0.00 C ATOM 1036 OE1 GLU A 69 -11.238 18.049 -4.182 1.00 0.00 O ATOM 1037 OE2 GLU A 69 -11.828 17.035 -2.288 1.00 0.00 O ATOM 0 H GLU A 69 -10.297 13.520 -6.633 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.985 14.793 -5.737 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.691 16.228 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.550 16.750 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.512 15.284 -4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.655 15.022 -3.154 1.00 0.00 H new ATOM 1044 N ILE A 70 -7.920 12.872 -4.235 1.00 0.00 N ATOM 1045 CA ILE A 70 -7.832 11.712 -3.364 1.00 0.00 C ATOM 1046 C ILE A 70 -7.143 12.111 -2.058 1.00 0.00 C ATOM 1047 O ILE A 70 -6.049 12.671 -2.042 1.00 0.00 O ATOM 1048 CB ILE A 70 -7.151 10.549 -4.089 1.00 0.00 C ATOM 1049 CG1 ILE A 70 -7.797 10.298 -5.452 1.00 0.00 C ATOM 1050 CG2 ILE A 70 -7.141 9.291 -3.218 1.00 0.00 C ATOM 1051 CD1 ILE A 70 -8.958 9.309 -5.335 1.00 0.00 C ATOM 0 H ILE A 70 -7.028 13.187 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.828 11.355 -3.102 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.112 10.822 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.157 11.240 -5.867 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.052 9.909 -6.146 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.652 8.479 -3.757 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.599 9.492 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.166 9.004 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.400 9.148 -6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.590 8.361 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.713 9.712 -4.660 1.00 0.00 H new ATOM 1063 N PRO A 71 -7.818 11.806 -0.948 1.00 0.00 N ATOM 1064 CA PRO A 71 -7.354 12.089 0.394 1.00 0.00 C ATOM 1065 C PRO A 71 -6.188 11.173 0.734 1.00 0.00 C ATOM 1066 O PRO A 71 -5.895 10.237 -0.005 1.00 0.00 O ATOM 1067 CB PRO A 71 -8.556 11.804 1.292 1.00 0.00 C ATOM 1068 CG PRO A 71 -9.351 10.798 0.536 1.00 0.00 C ATOM 1069 CD PRO A 71 -9.107 11.148 -0.930 1.00 0.00 C ATOM 0 HA PRO A 71 -6.999 13.113 0.514 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.245 11.417 2.262 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.135 12.708 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.026 9.783 0.762 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.410 10.857 0.788 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.103 10.254 -1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -9.889 11.802 -1.315 1.00 0.00 H new ATOM 1077 N PRO A 72 -5.521 11.446 1.858 1.00 0.00 N ATOM 1078 CA PRO A 72 -4.388 10.685 2.340 1.00 0.00 C ATOM 1079 C PRO A 72 -4.749 9.208 2.389 1.00 0.00 C ATOM 1080 O PRO A 72 -5.842 8.878 2.848 1.00 0.00 O ATOM 1081 CB PRO A 72 -4.118 11.230 3.741 1.00 0.00 C ATOM 1082 CG PRO A 72 -5.437 12.044 4.139 1.00 0.00 C ATOM 1083 CD PRO A 72 -5.839 12.539 2.751 1.00 0.00 C ATOM 0 HA PRO A 72 -3.511 10.777 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.926 10.422 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -3.240 11.876 3.749 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.198 11.414 4.598 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.235 12.859 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.900 12.785 2.712 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.292 13.442 2.480 1.00 0.00 H new ATOM 1091 N LEU A 73 -3.844 8.359 1.924 1.00 0.00 N ATOM 1092 CA LEU A 73 -4.091 6.927 1.924 1.00 0.00 C ATOM 1093 C LEU A 73 -3.563 6.323 3.226 1.00 0.00 C ATOM 1094 O LEU A 73 -3.971 5.231 3.619 1.00 0.00 O ATOM 1095 CB LEU A 73 -3.507 6.283 0.665 1.00 0.00 C ATOM 1096 CG LEU A 73 -2.975 4.858 0.827 1.00 0.00 C ATOM 1097 CD1 LEU A 73 -4.082 3.908 1.290 1.00 0.00 C ATOM 1098 CD2 LEU A 73 -2.305 4.373 -0.461 1.00 0.00 C ATOM 0 H LEU A 73 -2.938 8.635 1.545 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.162 6.725 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.277 6.277 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.696 6.914 0.301 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.211 4.865 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.677 2.902 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.473 4.246 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.885 3.899 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.936 3.357 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.030 4.385 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.472 5.031 -0.708 1.00 0.00 H new ATOM 1110 N ALA A 74 -2.662 7.060 3.861 1.00 0.00 N ATOM 1111 CA ALA A 74 -2.074 6.610 5.111 1.00 0.00 C ATOM 1112 C ALA A 74 -3.135 5.878 5.935 1.00 0.00 C ATOM 1113 O ALA A 74 -3.939 6.478 6.644 1.00 0.00 O ATOM 1114 CB ALA A 74 -1.481 7.808 5.856 1.00 0.00 C ATOM 0 H ALA A 74 -2.325 7.965 3.533 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.262 5.908 4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.040 7.471 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.712 8.275 5.240 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.268 8.532 6.065 1.00 0.00 H new ATOM 1120 N PRO A 75 -3.118 4.548 5.823 1.00 0.00 N ATOM 1121 CA PRO A 75 -4.028 3.659 6.512 1.00 0.00 C ATOM 1122 C PRO A 75 -3.740 3.692 8.006 1.00 0.00 C ATOM 1123 O PRO A 75 -3.507 2.635 8.590 1.00 0.00 O ATOM 1124 CB PRO A 75 -3.741 2.276 5.930 1.00 0.00 C ATOM 1125 CG PRO A 75 -2.891 2.491 4.690 1.00 0.00 C ATOM 1126 CD PRO A 75 -2.186 3.810 4.997 1.00 0.00 C ATOM 0 HA PRO A 75 -5.074 3.939 6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.217 1.652 6.655 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.669 1.762 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.182 1.677 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.499 2.556 3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -1.244 3.642 5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.952 4.355 4.082 1.00 0.00 H new ATOM 1134 N ARG A 76 -3.758 4.882 8.588 1.00 0.00 N ATOM 1135 CA ARG A 76 -3.494 5.024 10.010 1.00 0.00 C ATOM 1136 C ARG A 76 -3.787 6.456 10.464 1.00 0.00 C ATOM 1137 O ARG A 76 -4.499 6.667 11.445 1.00 0.00 O ATOM 1138 CB ARG A 76 -2.040 4.680 10.338 1.00 0.00 C ATOM 1139 CG ARG A 76 -1.867 4.396 11.831 1.00 0.00 C ATOM 1140 CD ARG A 76 -0.650 5.134 12.392 1.00 0.00 C ATOM 1141 NE ARG A 76 -0.631 5.029 13.868 1.00 0.00 N ATOM 1142 CZ ARG A 76 -1.281 5.865 14.690 1.00 0.00 C ATOM 1143 NH1 ARG A 76 -2.005 6.872 14.184 1.00 0.00 N ATOM 1144 NH2 ARG A 76 -1.207 5.693 16.017 1.00 0.00 N ATOM 0 H ARG A 76 -3.951 5.757 8.101 1.00 0.00 H new ATOM 0 HA ARG A 76 -4.147 4.330 10.539 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.729 3.809 9.760 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.392 5.506 10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.763 4.704 12.370 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.752 3.324 11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.265 4.711 11.977 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.681 6.182 12.094 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.089 4.273 14.286 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.061 7.002 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.500 7.509 14.809 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.656 4.926 16.402 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.702 6.329 16.642 1.00 0.00 H new ATOM 1158 N VAL A 77 -3.223 7.403 9.729 1.00 0.00 N ATOM 1159 CA VAL A 77 -3.414 8.808 10.043 1.00 0.00 C ATOM 1160 C VAL A 77 -4.897 9.067 10.321 1.00 0.00 C ATOM 1161 O VAL A 77 -5.240 9.805 11.243 1.00 0.00 O ATOM 1162 CB VAL A 77 -2.856 9.678 8.915 1.00 0.00 C ATOM 1163 CG1 VAL A 77 -3.358 11.118 9.034 1.00 0.00 C ATOM 1164 CG2 VAL A 77 -1.327 9.630 8.891 1.00 0.00 C ATOM 0 H VAL A 77 -2.633 7.224 8.916 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.862 9.076 10.944 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.218 9.274 7.970 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.947 11.715 8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.447 11.130 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.039 11.537 9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.956 10.257 8.080 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.937 9.996 9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.998 8.603 8.735 1.00 0.00 H new ATOM 1174 N ASN A 78 -5.736 8.446 9.505 1.00 0.00 N ATOM 1175 CA ASN A 78 -7.173 8.599 9.651 1.00 0.00 C ATOM 1176 C ASN A 78 -7.779 7.274 10.118 1.00 0.00 C ATOM 1177 O ASN A 78 -7.186 6.214 9.923 1.00 0.00 O ATOM 1178 CB ASN A 78 -7.825 8.974 8.318 1.00 0.00 C ATOM 1179 CG ASN A 78 -6.965 9.980 7.550 1.00 0.00 C ATOM 1180 OD1 ASN A 78 -5.930 10.430 8.012 1.00 0.00 O ATOM 1181 ND2 ASN A 78 -7.450 10.305 6.356 1.00 0.00 N ATOM 0 H ASN A 78 -5.448 7.836 8.740 1.00 0.00 H new ATOM 0 HA ASN A 78 -7.355 9.391 10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -7.969 8.078 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.813 9.398 8.499 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.949 10.969 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.323 9.890 6.030 1.00 0.00 H new ATOM 1188 N THR A 79 -8.952 7.378 10.725 1.00 0.00 N ATOM 1189 CA THR A 79 -9.644 6.201 11.221 1.00 0.00 C ATOM 1190 C THR A 79 -10.654 5.700 10.186 1.00 0.00 C ATOM 1191 O THR A 79 -11.393 4.752 10.444 1.00 0.00 O ATOM 1192 CB THR A 79 -10.279 6.558 12.567 1.00 0.00 C ATOM 1193 OG1 THR A 79 -10.924 5.355 12.976 1.00 0.00 O ATOM 1194 CG2 THR A 79 -11.422 7.564 12.426 1.00 0.00 C ATOM 0 H THR A 79 -9.440 8.259 10.884 1.00 0.00 H new ATOM 0 HA THR A 79 -8.953 5.374 11.381 1.00 0.00 H new ATOM 0 HB THR A 79 -9.517 6.965 13.231 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.038 4.765 12.202 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.837 7.783 13.410 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.044 8.483 11.979 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.200 7.144 11.789 1.00 0.00 H new ATOM 1202 N LYS A 80 -10.653 6.361 9.038 1.00 0.00 N ATOM 1203 CA LYS A 80 -11.560 5.995 7.963 1.00 0.00 C ATOM 1204 C LYS A 80 -10.780 5.260 6.871 1.00 0.00 C ATOM 1205 O LYS A 80 -11.151 5.307 5.700 1.00 0.00 O ATOM 1206 CB LYS A 80 -12.315 7.226 7.457 1.00 0.00 C ATOM 1207 CG LYS A 80 -13.336 7.706 8.490 1.00 0.00 C ATOM 1208 CD LYS A 80 -13.236 9.218 8.699 1.00 0.00 C ATOM 1209 CE LYS A 80 -13.491 9.587 10.162 1.00 0.00 C ATOM 1210 NZ LYS A 80 -14.276 10.838 10.251 1.00 0.00 N ATOM 0 H LYS A 80 -10.039 7.148 8.829 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.324 5.308 8.327 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.608 8.027 7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.823 6.987 6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.342 7.447 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.169 7.193 9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.247 9.566 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.959 9.726 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.027 8.778 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.542 9.708 10.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.440 11.074 11.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.751 11.611 9.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.190 10.709 9.771 1.00 0.00 H new ATOM 1224 N ARG A 81 -9.712 4.598 7.294 1.00 0.00 N ATOM 1225 CA ARG A 81 -8.877 3.855 6.367 1.00 0.00 C ATOM 1226 C ARG A 81 -8.691 2.417 6.856 1.00 0.00 C ATOM 1227 O ARG A 81 -8.665 2.166 8.060 1.00 0.00 O ATOM 1228 CB ARG A 81 -7.505 4.515 6.211 1.00 0.00 C ATOM 1229 CG ARG A 81 -7.641 5.941 5.674 1.00 0.00 C ATOM 1230 CD ARG A 81 -7.406 5.983 4.163 1.00 0.00 C ATOM 1231 NE ARG A 81 -7.857 7.283 3.616 1.00 0.00 N ATOM 1232 CZ ARG A 81 -9.114 7.541 3.234 1.00 0.00 C ATOM 1233 NH1 ARG A 81 -10.054 6.592 3.335 1.00 0.00 N ATOM 1234 NH2 ARG A 81 -9.432 8.750 2.749 1.00 0.00 N ATOM 0 H ARG A 81 -9.407 4.561 8.267 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.378 3.851 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.994 4.532 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.888 3.925 5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.635 6.326 5.902 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.925 6.592 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.348 5.836 3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.946 5.169 3.680 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.167 8.029 3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.812 5.672 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.011 6.789 3.044 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.716 9.473 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.390 8.947 2.458 1.00 0.00 H new ATOM 1248 N PHE A 82 -8.566 1.511 5.898 1.00 0.00 N ATOM 1249 CA PHE A 82 -8.383 0.105 6.216 1.00 0.00 C ATOM 1250 C PHE A 82 -9.529 -0.414 7.086 1.00 0.00 C ATOM 1251 O PHE A 82 -9.297 -1.100 8.080 1.00 0.00 O ATOM 1252 CB PHE A 82 -7.073 -0.009 6.998 1.00 0.00 C ATOM 1253 CG PHE A 82 -5.840 -0.229 6.119 1.00 0.00 C ATOM 1254 CD1 PHE A 82 -5.926 -0.059 4.772 1.00 0.00 C ATOM 1255 CD2 PHE A 82 -4.658 -0.595 6.684 1.00 0.00 C ATOM 1256 CE1 PHE A 82 -4.782 -0.263 3.956 1.00 0.00 C ATOM 1257 CE2 PHE A 82 -3.514 -0.799 5.868 1.00 0.00 C ATOM 1258 CZ PHE A 82 -3.600 -0.629 4.521 1.00 0.00 C ATOM 0 H PHE A 82 -8.588 1.723 4.901 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.363 -0.484 5.299 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.931 0.899 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.155 -0.835 7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.865 0.231 4.323 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.590 -0.730 7.753 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.850 -0.128 2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.575 -1.089 6.317 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.730 -0.785 3.900 1.00 0.00 H new ATOM 1268 N THR A 83 -10.742 -0.066 6.680 1.00 0.00 N ATOM 1269 CA THR A 83 -11.925 -0.489 7.410 1.00 0.00 C ATOM 1270 C THR A 83 -12.229 -1.961 7.127 1.00 0.00 C ATOM 1271 O THR A 83 -12.166 -2.796 8.029 1.00 0.00 O ATOM 1272 CB THR A 83 -13.072 0.451 7.034 1.00 0.00 C ATOM 1273 OG1 THR A 83 -12.574 1.749 7.345 1.00 0.00 O ATOM 1274 CG2 THR A 83 -14.286 0.289 7.952 1.00 0.00 C ATOM 0 H THR A 83 -10.931 0.504 5.855 1.00 0.00 H new ATOM 0 HA THR A 83 -11.770 -0.423 8.487 1.00 0.00 H new ATOM 0 HB THR A 83 -13.369 0.266 6.002 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.254 2.421 7.130 1.00 0.00 H new ATOM 0 HG21 THR A 83 -15.071 0.979 7.642 1.00 0.00 H new ATOM 0 HG22 THR A 83 -14.656 -0.734 7.889 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.997 0.507 8.980 1.00 0.00 H new ATOM 1282 N ASP A 84 -12.550 -2.236 5.872 1.00 0.00 N ATOM 1283 CA ASP A 84 -12.864 -3.593 5.459 1.00 0.00 C ATOM 1284 C ASP A 84 -11.564 -4.345 5.163 1.00 0.00 C ATOM 1285 O ASP A 84 -11.009 -4.227 4.072 1.00 0.00 O ATOM 1286 CB ASP A 84 -13.714 -3.600 4.187 1.00 0.00 C ATOM 1287 CG ASP A 84 -14.783 -2.508 4.118 1.00 0.00 C ATOM 1288 OD1 ASP A 84 -15.599 -2.452 5.062 1.00 0.00 O ATOM 1289 OD2 ASP A 84 -14.759 -1.753 3.122 1.00 0.00 O ATOM 0 H ASP A 84 -12.600 -1.541 5.127 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.420 -4.071 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.054 -3.496 3.326 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.202 -4.571 4.099 1.00 0.00 H new ATOM 1294 N ILE A 85 -11.116 -5.101 6.155 1.00 0.00 N ATOM 1295 CA ILE A 85 -9.892 -5.871 6.015 1.00 0.00 C ATOM 1296 C ILE A 85 -10.164 -7.096 5.139 1.00 0.00 C ATOM 1297 O ILE A 85 -9.253 -7.871 4.850 1.00 0.00 O ATOM 1298 CB ILE A 85 -9.314 -6.214 7.389 1.00 0.00 C ATOM 1299 CG1 ILE A 85 -7.794 -6.373 7.321 1.00 0.00 C ATOM 1300 CG2 ILE A 85 -9.995 -7.452 7.977 1.00 0.00 C ATOM 1301 CD1 ILE A 85 -7.220 -6.751 8.688 1.00 0.00 C ATOM 0 H ILE A 85 -11.579 -5.197 7.059 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.126 -5.281 5.512 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.520 -5.383 8.063 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.537 -7.140 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.342 -5.442 6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.565 -7.674 8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -11.063 -7.263 8.085 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.842 -8.302 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.138 -6.858 8.611 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.457 -5.970 9.411 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.655 -7.695 9.017 1.00 0.00 H new ATOM 1313 N ASP A 86 -11.420 -7.234 4.742 1.00 0.00 N ATOM 1314 CA ASP A 86 -11.823 -8.351 3.905 1.00 0.00 C ATOM 1315 C ASP A 86 -11.781 -7.924 2.436 1.00 0.00 C ATOM 1316 O ASP A 86 -11.646 -8.762 1.546 1.00 0.00 O ATOM 1317 CB ASP A 86 -13.251 -8.795 4.228 1.00 0.00 C ATOM 1318 CG ASP A 86 -13.508 -10.297 4.090 1.00 0.00 C ATOM 1319 OD1 ASP A 86 -13.308 -10.806 2.966 1.00 0.00 O ATOM 1320 OD2 ASP A 86 -13.899 -10.902 5.111 1.00 0.00 O ATOM 0 H ASP A 86 -12.173 -6.590 4.985 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.138 -9.177 4.093 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.487 -8.494 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.938 -8.262 3.571 1.00 0.00 H new ATOM 1325 N LYS A 87 -11.900 -6.621 2.229 1.00 0.00 N ATOM 1326 CA LYS A 87 -11.877 -6.073 0.883 1.00 0.00 C ATOM 1327 C LYS A 87 -10.493 -5.486 0.599 1.00 0.00 C ATOM 1328 O LYS A 87 -9.858 -5.837 -0.394 1.00 0.00 O ATOM 1329 CB LYS A 87 -13.020 -5.073 0.693 1.00 0.00 C ATOM 1330 CG LYS A 87 -14.346 -5.795 0.448 1.00 0.00 C ATOM 1331 CD LYS A 87 -15.458 -4.800 0.110 1.00 0.00 C ATOM 1332 CE LYS A 87 -16.755 -5.160 0.836 1.00 0.00 C ATOM 1333 NZ LYS A 87 -17.925 -4.896 -0.031 1.00 0.00 N ATOM 0 H LYS A 87 -12.013 -5.929 2.970 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.046 -6.860 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.104 -4.440 1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.798 -4.417 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.231 -6.508 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.622 -6.367 1.334 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.148 -3.793 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.630 -4.793 -0.966 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.738 -6.211 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.838 -4.579 1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.797 -5.146 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.949 -3.888 -0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.852 -5.469 -0.896 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.066 -4.603 1.489 1.00 0.00 N ATOM 1348 CA VAL A 88 -8.768 -3.965 1.347 1.00 0.00 C ATOM 1349 C VAL A 88 -7.732 -5.012 0.933 1.00 0.00 C ATOM 1350 O VAL A 88 -6.747 -4.688 0.271 1.00 0.00 O ATOM 1351 CB VAL A 88 -8.398 -3.237 2.641 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -7.358 -4.028 3.436 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -7.904 -1.819 2.349 1.00 0.00 C ATOM 0 H VAL A 88 -10.596 -4.314 2.311 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.798 -3.209 0.562 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.297 -3.159 3.252 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.112 -3.489 4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.762 -5.008 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.457 -4.152 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.648 -1.323 3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.023 -1.865 1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.689 -1.257 1.844 1.00 0.00 H new ATOM 1363 N GLU A 89 -7.990 -6.246 1.339 1.00 0.00 N ATOM 1364 CA GLU A 89 -7.092 -7.343 1.019 1.00 0.00 C ATOM 1365 C GLU A 89 -7.325 -7.817 -0.417 1.00 0.00 C ATOM 1366 O GLU A 89 -6.373 -8.039 -1.163 1.00 0.00 O ATOM 1367 CB GLU A 89 -7.259 -8.496 2.010 1.00 0.00 C ATOM 1368 CG GLU A 89 -6.262 -9.619 1.718 1.00 0.00 C ATOM 1369 CD GLU A 89 -6.989 -10.926 1.395 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -7.597 -10.984 0.304 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -6.920 -11.839 2.247 1.00 0.00 O ATOM 0 H GLU A 89 -8.808 -6.511 1.887 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.067 -6.983 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.113 -8.131 3.026 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.276 -8.884 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.625 -9.336 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -5.610 -9.764 2.579 1.00 0.00 H new ATOM 1378 N ASP A 90 -8.597 -7.957 -0.762 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.967 -8.401 -2.095 1.00 0.00 C ATOM 1380 C ASP A 90 -8.580 -7.324 -3.111 1.00 0.00 C ATOM 1381 O ASP A 90 -8.009 -7.629 -4.157 1.00 0.00 O ATOM 1382 CB ASP A 90 -10.476 -8.630 -2.200 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.019 -9.767 -1.333 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -10.200 -10.363 -0.600 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -12.241 -10.015 -1.421 1.00 0.00 O ATOM 0 H ASP A 90 -9.384 -7.771 -0.141 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.446 -9.337 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.988 -7.708 -1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.726 -8.836 -3.241 1.00 0.00 H new ATOM 1390 N GLU A 91 -8.908 -6.087 -2.768 1.00 0.00 N ATOM 1391 CA GLU A 91 -8.602 -4.964 -3.638 1.00 0.00 C ATOM 1392 C GLU A 91 -7.094 -4.877 -3.882 1.00 0.00 C ATOM 1393 O GLU A 91 -6.654 -4.718 -5.020 1.00 0.00 O ATOM 1394 CB GLU A 91 -9.139 -3.656 -3.053 1.00 0.00 C ATOM 1395 CG GLU A 91 -10.655 -3.555 -3.237 1.00 0.00 C ATOM 1396 CD GLU A 91 -11.002 -2.746 -4.489 1.00 0.00 C ATOM 1397 OE1 GLU A 91 -10.236 -1.805 -4.787 1.00 0.00 O ATOM 1398 OE2 GLU A 91 -12.027 -3.087 -5.118 1.00 0.00 O ATOM 0 H GLU A 91 -9.382 -5.838 -1.900 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.096 -5.126 -4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.893 -3.600 -1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.653 -2.810 -3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.083 -4.554 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.101 -3.085 -2.361 1.00 0.00 H new ATOM 1405 N PHE A 92 -6.344 -4.985 -2.796 1.00 0.00 N ATOM 1406 CA PHE A 92 -4.894 -4.920 -2.878 1.00 0.00 C ATOM 1407 C PHE A 92 -4.367 -5.826 -3.992 1.00 0.00 C ATOM 1408 O PHE A 92 -3.306 -5.567 -4.558 1.00 0.00 O ATOM 1409 CB PHE A 92 -4.348 -5.412 -1.536 1.00 0.00 C ATOM 1410 CG PHE A 92 -3.470 -4.391 -0.809 1.00 0.00 C ATOM 1411 CD1 PHE A 92 -2.466 -3.760 -1.476 1.00 0.00 C ATOM 1412 CD2 PHE A 92 -3.693 -4.114 0.503 1.00 0.00 C ATOM 1413 CE1 PHE A 92 -1.651 -2.813 -0.802 1.00 0.00 C ATOM 1414 CE2 PHE A 92 -2.878 -3.167 1.178 1.00 0.00 C ATOM 1415 CZ PHE A 92 -1.875 -2.536 0.511 1.00 0.00 C ATOM 0 H PHE A 92 -6.712 -5.117 -1.854 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.579 -3.900 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.185 -5.680 -0.891 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.769 -6.321 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.289 -3.980 -2.519 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.490 -4.614 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.854 -2.313 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.055 -2.948 2.221 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.256 -1.815 1.024 1.00 0.00 H new ATOM 1425 N THR A 93 -5.133 -6.870 -4.275 1.00 0.00 N ATOM 1426 CA THR A 93 -4.756 -7.815 -5.312 1.00 0.00 C ATOM 1427 C THR A 93 -5.291 -7.357 -6.670 1.00 0.00 C ATOM 1428 O THR A 93 -4.551 -7.322 -7.652 1.00 0.00 O ATOM 1429 CB THR A 93 -5.260 -9.199 -4.896 1.00 0.00 C ATOM 1430 OG1 THR A 93 -4.224 -9.708 -4.061 1.00 0.00 O ATOM 1431 CG2 THR A 93 -5.311 -10.180 -6.068 1.00 0.00 C ATOM 0 H THR A 93 -6.013 -7.082 -3.804 1.00 0.00 H new ATOM 0 HA THR A 93 -3.673 -7.868 -5.425 1.00 0.00 H new ATOM 0 HB THR A 93 -6.253 -9.107 -4.457 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.359 -9.596 -4.508 1.00 0.00 H new ATOM 0 HG21 THR A 93 -5.675 -11.146 -5.718 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.983 -9.795 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.312 -10.299 -6.487 1.00 0.00 H new ATOM 1439 N LYS A 94 -6.572 -7.019 -6.683 1.00 0.00 N ATOM 1440 CA LYS A 94 -7.214 -6.565 -7.905 1.00 0.00 C ATOM 1441 C LYS A 94 -6.529 -5.286 -8.391 1.00 0.00 C ATOM 1442 O LYS A 94 -6.607 -4.938 -9.567 1.00 0.00 O ATOM 1443 CB LYS A 94 -8.722 -6.413 -7.693 1.00 0.00 C ATOM 1444 CG LYS A 94 -9.277 -7.568 -6.857 1.00 0.00 C ATOM 1445 CD LYS A 94 -10.614 -8.057 -7.417 1.00 0.00 C ATOM 1446 CE LYS A 94 -10.411 -9.236 -8.370 1.00 0.00 C ATOM 1447 NZ LYS A 94 -10.133 -8.752 -9.741 1.00 0.00 N ATOM 0 H LYS A 94 -7.183 -7.050 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.100 -7.308 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.929 -5.466 -7.194 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.227 -6.382 -8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.561 -8.390 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.408 -7.244 -5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -11.268 -8.355 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.112 -7.242 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.584 -9.855 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.301 -9.866 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.099 -9.560 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -10.886 -8.099 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.219 -8.256 -9.755 1.00 0.00 H new ATOM 1461 N HIS A 95 -5.865 -4.611 -7.452 1.00 0.00 N ATOM 1462 CA HIS A 95 -5.150 -3.369 -7.727 1.00 0.00 C ATOM 1463 C HIS A 95 -3.859 -3.674 -8.508 1.00 0.00 C ATOM 1464 O HIS A 95 -3.640 -3.178 -9.611 1.00 0.00 O ATOM 1465 CB HIS A 95 -4.926 -2.622 -6.404 1.00 0.00 C ATOM 1466 CG HIS A 95 -4.684 -1.133 -6.497 1.00 0.00 C ATOM 1467 ND1 HIS A 95 -4.939 -0.430 -7.605 1.00 0.00 N ATOM 1468 CD2 HIS A 95 -4.199 -0.234 -5.577 1.00 0.00 C ATOM 1469 CE1 HIS A 95 -4.625 0.856 -7.384 1.00 0.00 C ATOM 1470 NE2 HIS A 95 -4.163 1.032 -6.148 1.00 0.00 N ATOM 0 H HIS A 95 -5.809 -4.912 -6.479 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.733 -2.706 -8.366 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.797 -2.786 -5.769 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -4.073 -3.074 -5.898 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -5.311 -0.809 -8.476 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.894 -0.474 -4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -4.733 1.645 -8.114 1.00 0.00 H new ATOM 1478 N CYS A 96 -3.009 -4.507 -7.904 1.00 0.00 N ATOM 1479 CA CYS A 96 -1.751 -4.894 -8.510 1.00 0.00 C ATOM 1480 C CYS A 96 -2.015 -5.553 -9.856 1.00 0.00 C ATOM 1481 O CYS A 96 -1.142 -5.500 -10.722 1.00 0.00 O ATOM 1482 CB CYS A 96 -1.008 -5.846 -7.576 1.00 0.00 C ATOM 1483 SG CYS A 96 -0.139 -4.871 -6.323 1.00 0.00 S ATOM 0 H CYS A 96 -3.179 -4.925 -6.989 1.00 0.00 H new ATOM 0 HA CYS A 96 -1.131 -4.012 -8.672 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.709 -6.533 -7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.300 -6.453 -8.140 1.00 0.00 H new ATOM 1488 N ASN A 97 -3.187 -6.150 -10.008 1.00 0.00 N ATOM 1489 CA ASN A 97 -3.536 -6.809 -11.256 1.00 0.00 C ATOM 1490 C ASN A 97 -3.970 -5.757 -12.279 1.00 0.00 C ATOM 1491 O ASN A 97 -4.072 -6.048 -13.469 1.00 0.00 O ATOM 1492 CB ASN A 97 -4.698 -7.784 -11.059 1.00 0.00 C ATOM 1493 CG ASN A 97 -4.209 -9.233 -11.092 1.00 0.00 C ATOM 1494 OD1 ASN A 97 -3.449 -9.640 -11.956 1.00 0.00 O ATOM 1495 ND2 ASN A 97 -4.685 -9.988 -10.106 1.00 0.00 N ATOM 0 H ASN A 97 -3.908 -6.192 -9.288 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.661 -7.358 -11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.188 -7.583 -10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.443 -7.630 -11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.417 -10.970 -10.041 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.318 -9.585 -9.415 1.00 0.00 H new ATOM 1502 N ASP A 98 -4.214 -4.555 -11.777 1.00 0.00 N ATOM 1503 CA ASP A 98 -4.634 -3.458 -12.632 1.00 0.00 C ATOM 1504 C ASP A 98 -3.623 -2.316 -12.523 1.00 0.00 C ATOM 1505 O ASP A 98 -3.828 -1.244 -13.091 1.00 0.00 O ATOM 1506 CB ASP A 98 -6.002 -2.921 -12.205 1.00 0.00 C ATOM 1507 CG ASP A 98 -7.163 -3.304 -13.125 1.00 0.00 C ATOM 1508 OD1 ASP A 98 -7.261 -2.681 -14.204 1.00 0.00 O ATOM 1509 OD2 ASP A 98 -7.925 -4.212 -12.729 1.00 0.00 O ATOM 0 H ASP A 98 -4.129 -4.317 -10.789 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.695 -3.831 -13.654 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.220 -3.283 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.947 -1.834 -12.148 1.00 0.00 H new ATOM 1514 N ILE A 99 -2.552 -2.583 -11.790 1.00 0.00 N ATOM 1515 CA ILE A 99 -1.508 -1.591 -11.600 1.00 0.00 C ATOM 1516 C ILE A 99 -0.184 -2.141 -12.134 1.00 0.00 C ATOM 1517 O ILE A 99 0.534 -1.450 -12.855 1.00 0.00 O ATOM 1518 CB ILE A 99 -1.445 -1.153 -10.136 1.00 0.00 C ATOM 1519 CG1 ILE A 99 -2.770 -0.526 -9.694 1.00 0.00 C ATOM 1520 CG2 ILE A 99 -0.259 -0.217 -9.893 1.00 0.00 C ATOM 1521 CD1 ILE A 99 -2.829 0.955 -10.075 1.00 0.00 C ATOM 0 H ILE A 99 -2.385 -3.473 -11.320 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.732 -0.689 -12.170 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.286 -2.039 -9.521 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.601 -1.058 -10.158 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.885 -0.633 -8.615 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.238 0.079 -8.844 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.668 -0.732 -10.143 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.361 0.670 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.780 1.377 -9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.011 1.488 -9.590 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.738 1.056 -11.156 1.00 0.00 H new ATOM 1533 N LEU A 100 0.099 -3.381 -11.760 1.00 0.00 N ATOM 1534 CA LEU A 100 1.324 -4.031 -12.193 1.00 0.00 C ATOM 1535 C LEU A 100 0.998 -5.040 -13.297 1.00 0.00 C ATOM 1536 O LEU A 100 1.857 -5.371 -14.113 1.00 0.00 O ATOM 1537 CB LEU A 100 2.056 -4.644 -10.997 1.00 0.00 C ATOM 1538 CG LEU A 100 2.765 -3.657 -10.068 1.00 0.00 C ATOM 1539 CD1 LEU A 100 3.484 -4.391 -8.934 1.00 0.00 C ATOM 1540 CD2 LEU A 100 3.712 -2.748 -10.853 1.00 0.00 C ATOM 0 H LEU A 100 -0.499 -3.952 -11.162 1.00 0.00 H new ATOM 0 HA LEU A 100 2.012 -3.302 -12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.336 -5.214 -10.409 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.794 -5.353 -11.372 1.00 0.00 H new ATOM 0 HG LEU A 100 2.011 -3.017 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 100 3.980 -3.666 -8.288 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.759 -4.960 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.226 -5.071 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.203 -2.056 -10.169 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.464 -3.355 -11.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.145 -2.184 -11.594 1.00 0.00 H new ATOM 1552 N GLY A 101 -0.244 -5.499 -13.287 1.00 0.00 N ATOM 1553 CA GLY A 101 -0.694 -6.462 -14.277 1.00 0.00 C ATOM 1554 C GLY A 101 -0.652 -7.885 -13.716 1.00 0.00 C ATOM 1555 O GLY A 101 -0.703 -8.855 -14.471 1.00 0.00 O ATOM 0 H GLY A 101 -0.953 -5.222 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -1.710 -6.220 -14.589 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.064 -6.398 -15.164 1.00 0.00 H new ATOM 1559 N ALA A 102 -0.560 -7.964 -12.397 1.00 0.00 N ATOM 1560 CA ALA A 102 -0.511 -9.252 -11.726 1.00 0.00 C ATOM 1561 C ALA A 102 -0.798 -9.058 -10.236 1.00 0.00 C ATOM 1562 O ALA A 102 -1.085 -7.946 -9.796 1.00 0.00 O ATOM 1563 CB ALA A 102 0.849 -9.907 -11.977 1.00 0.00 C ATOM 0 H ALA A 102 -0.518 -7.157 -11.775 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.274 -9.921 -12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.886 -10.873 -11.474 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.992 -10.050 -13.048 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.639 -9.265 -11.588 1.00 0.00 H new ATOM 1569 N ASP A 103 -0.711 -10.156 -9.501 1.00 0.00 N ATOM 1570 CA ASP A 103 -0.958 -10.121 -8.070 1.00 0.00 C ATOM 1571 C ASP A 103 0.371 -9.953 -7.331 1.00 0.00 C ATOM 1572 O ASP A 103 1.282 -10.772 -7.434 1.00 0.00 O ATOM 1573 CB ASP A 103 -1.605 -11.422 -7.590 1.00 0.00 C ATOM 1574 CG ASP A 103 -2.566 -11.269 -6.410 1.00 0.00 C ATOM 1575 OD1 ASP A 103 -2.582 -10.161 -5.830 1.00 0.00 O ATOM 1576 OD2 ASP A 103 -3.264 -12.262 -6.114 1.00 0.00 O ATOM 0 H ASP A 103 -0.473 -11.077 -9.870 1.00 0.00 H new ATOM 0 HA ASP A 103 -1.630 -9.287 -7.865 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.146 -11.870 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.817 -12.120 -7.309 1.00 0.00 H new ATOM 1581 N CYS A 104 0.462 -8.857 -6.574 1.00 0.00 N ATOM 1582 CA CYS A 104 1.652 -8.549 -5.807 1.00 0.00 C ATOM 1583 C CYS A 104 1.943 -9.685 -4.837 1.00 0.00 C ATOM 1584 O CYS A 104 1.039 -10.472 -4.561 1.00 0.00 O ATOM 1585 CB CYS A 104 1.448 -7.235 -5.058 1.00 0.00 C ATOM 1586 SG CYS A 104 1.664 -5.864 -6.221 1.00 0.00 S ATOM 0 H CYS A 104 -0.285 -8.169 -6.481 1.00 0.00 H new ATOM 0 HA CYS A 104 2.505 -8.439 -6.476 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.452 -7.203 -4.616 1.00 0.00 H new ATOM 0 HB3 CYS A 104 2.163 -7.152 -4.239 1.00 0.00 H new ATOM 1591 N SER A 105 3.172 -9.751 -4.347 1.00 0.00 N ATOM 1592 CA SER A 105 3.550 -10.798 -3.414 1.00 0.00 C ATOM 1593 C SER A 105 3.100 -10.426 -2.000 1.00 0.00 C ATOM 1594 O SER A 105 3.092 -9.264 -1.602 1.00 0.00 O ATOM 1595 CB SER A 105 5.060 -11.043 -3.443 1.00 0.00 C ATOM 1596 OG SER A 105 5.783 -10.000 -2.795 1.00 0.00 O ATOM 0 H SER A 105 3.919 -9.096 -4.579 1.00 0.00 H new ATOM 0 HA SER A 105 3.054 -11.720 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.282 -11.994 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.394 -11.127 -4.477 1.00 0.00 H new ATOM 0 HG SER A 105 6.261 -10.365 -2.021 1.00 0.00 H new ATOM 1602 N PRO A 106 2.720 -11.456 -1.240 1.00 0.00 N ATOM 1603 CA PRO A 106 2.260 -11.335 0.127 1.00 0.00 C ATOM 1604 C PRO A 106 3.352 -10.704 0.979 1.00 0.00 C ATOM 1605 O PRO A 106 3.062 -10.275 2.095 1.00 0.00 O ATOM 1606 CB PRO A 106 1.977 -12.768 0.573 1.00 0.00 C ATOM 1607 CG PRO A 106 2.829 -13.655 -0.391 1.00 0.00 C ATOM 1608 CD PRO A 106 2.718 -12.836 -1.675 1.00 0.00 C ATOM 0 HA PRO A 106 1.377 -10.704 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 106 2.264 -12.924 1.613 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.916 -13.005 0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 106 3.860 -13.764 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 106 2.422 -14.660 -0.501 1.00 0.00 H new ATOM 0 HD2 PRO A 106 3.552 -13.039 -2.346 1.00 0.00 H new ATOM 0 HD3 PRO A 106 1.805 -13.077 -2.219 1.00 0.00 H new ATOM 1616 N SER A 107 4.567 -10.660 0.452 1.00 0.00 N ATOM 1617 CA SER A 107 5.680 -10.080 1.183 1.00 0.00 C ATOM 1618 C SER A 107 5.733 -8.570 0.944 1.00 0.00 C ATOM 1619 O SER A 107 5.916 -7.795 1.882 1.00 0.00 O ATOM 1620 CB SER A 107 7.004 -10.729 0.776 1.00 0.00 C ATOM 1621 OG SER A 107 7.412 -10.336 -0.532 1.00 0.00 O ATOM 0 H SER A 107 4.805 -11.017 -0.473 1.00 0.00 H new ATOM 0 HA SER A 107 5.526 -10.268 2.246 1.00 0.00 H new ATOM 0 HB2 SER A 107 7.777 -10.456 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 107 6.903 -11.814 0.813 1.00 0.00 H new ATOM 0 HG SER A 107 8.262 -10.770 -0.754 1.00 0.00 H new ATOM 1627 N GLU A 108 5.571 -8.197 -0.317 1.00 0.00 N ATOM 1628 CA GLU A 108 5.598 -6.793 -0.691 1.00 0.00 C ATOM 1629 C GLU A 108 4.396 -6.060 -0.091 1.00 0.00 C ATOM 1630 O GLU A 108 4.313 -4.835 -0.163 1.00 0.00 O ATOM 1631 CB GLU A 108 5.635 -6.632 -2.213 1.00 0.00 C ATOM 1632 CG GLU A 108 6.699 -7.538 -2.834 1.00 0.00 C ATOM 1633 CD GLU A 108 7.923 -6.728 -3.269 1.00 0.00 C ATOM 1634 OE1 GLU A 108 7.711 -5.708 -3.960 1.00 0.00 O ATOM 1635 OE2 GLU A 108 9.041 -7.147 -2.900 1.00 0.00 O ATOM 0 H GLU A 108 5.421 -8.842 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 108 6.508 -6.347 -0.289 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.658 -6.873 -2.632 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.844 -5.593 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 108 6.999 -8.299 -2.114 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.280 -8.061 -3.694 1.00 0.00 H new ATOM 1642 N LYS A 109 3.496 -6.841 0.487 1.00 0.00 N ATOM 1643 CA LYS A 109 2.302 -6.282 1.099 1.00 0.00 C ATOM 1644 C LYS A 109 2.617 -5.874 2.540 1.00 0.00 C ATOM 1645 O LYS A 109 2.558 -4.694 2.882 1.00 0.00 O ATOM 1646 CB LYS A 109 1.130 -7.258 0.978 1.00 0.00 C ATOM 1647 CG LYS A 109 -0.185 -6.587 1.378 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.952 -6.104 0.144 1.00 0.00 C ATOM 1649 CE LYS A 109 -1.440 -7.286 -0.695 1.00 0.00 C ATOM 1650 NZ LYS A 109 -1.600 -6.886 -2.111 1.00 0.00 N ATOM 0 H LYS A 109 3.569 -7.857 0.545 1.00 0.00 H new ATOM 0 HA LYS A 109 1.990 -5.380 0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.060 -7.622 -0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.308 -8.126 1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.800 -7.290 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.019 -5.743 2.037 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.803 -5.498 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.309 -5.465 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.730 -8.109 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.390 -7.649 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.334 -7.473 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -1.880 -5.886 -2.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.699 -7.018 -2.613 1.00 0.00 H new ATOM 1664 N ALA A 110 2.944 -6.874 3.346 1.00 0.00 N ATOM 1665 CA ALA A 110 3.267 -6.634 4.742 1.00 0.00 C ATOM 1666 C ALA A 110 4.454 -5.673 4.828 1.00 0.00 C ATOM 1667 O ALA A 110 4.712 -5.092 5.881 1.00 0.00 O ATOM 1668 CB ALA A 110 3.546 -7.968 5.438 1.00 0.00 C ATOM 0 H ALA A 110 2.992 -7.852 3.059 1.00 0.00 H new ATOM 0 HA ALA A 110 2.427 -6.167 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.788 -7.788 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.663 -8.604 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 110 4.386 -8.464 4.951 1.00 0.00 H new ATOM 1674 N ASN A 111 5.145 -5.534 3.706 1.00 0.00 N ATOM 1675 CA ASN A 111 6.299 -4.653 3.641 1.00 0.00 C ATOM 1676 C ASN A 111 5.823 -3.206 3.502 1.00 0.00 C ATOM 1677 O ASN A 111 6.430 -2.293 4.059 1.00 0.00 O ATOM 1678 CB ASN A 111 7.175 -4.981 2.431 1.00 0.00 C ATOM 1679 CG ASN A 111 8.616 -4.519 2.656 1.00 0.00 C ATOM 1680 OD1 ASN A 111 9.547 -5.306 2.713 1.00 0.00 O ATOM 1681 ND2 ASN A 111 8.748 -3.201 2.780 1.00 0.00 N ATOM 0 H ASN A 111 4.928 -6.017 2.834 1.00 0.00 H new ATOM 0 HA ASN A 111 6.879 -4.790 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 111 7.158 -6.055 2.246 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.769 -4.498 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.670 -2.793 2.933 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.927 -2.599 2.722 1.00 0.00 H new ATOM 1688 N PHE A 112 4.740 -3.042 2.755 1.00 0.00 N ATOM 1689 CA PHE A 112 4.176 -1.721 2.536 1.00 0.00 C ATOM 1690 C PHE A 112 3.332 -1.280 3.734 1.00 0.00 C ATOM 1691 O PHE A 112 3.456 -0.148 4.201 1.00 0.00 O ATOM 1692 CB PHE A 112 3.276 -1.819 1.302 1.00 0.00 C ATOM 1693 CG PHE A 112 2.647 -0.489 0.885 1.00 0.00 C ATOM 1694 CD1 PHE A 112 3.426 0.503 0.377 1.00 0.00 C ATOM 1695 CD2 PHE A 112 1.307 -0.298 1.021 1.00 0.00 C ATOM 1696 CE1 PHE A 112 2.842 1.738 -0.010 1.00 0.00 C ATOM 1697 CE2 PHE A 112 0.722 0.936 0.633 1.00 0.00 C ATOM 1698 CZ PHE A 112 1.502 1.929 0.126 1.00 0.00 C ATOM 0 H PHE A 112 4.239 -3.802 2.294 1.00 0.00 H new ATOM 0 HA PHE A 112 4.975 -0.992 2.401 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.860 -2.210 0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.482 -2.539 1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.490 0.351 0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.688 -1.086 1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.462 2.526 -0.412 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.342 1.087 0.740 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.058 2.868 -0.168 1.00 0.00 H new ATOM 1708 N ILE A 113 2.494 -2.195 4.196 1.00 0.00 N ATOM 1709 CA ILE A 113 1.631 -1.915 5.331 1.00 0.00 C ATOM 1710 C ILE A 113 2.472 -1.355 6.480 1.00 0.00 C ATOM 1711 O ILE A 113 2.066 -0.401 7.143 1.00 0.00 O ATOM 1712 CB ILE A 113 0.822 -3.157 5.709 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.395 -3.318 4.796 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.430 -3.127 7.188 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.428 -4.711 4.166 1.00 0.00 C ATOM 0 H ILE A 113 2.394 -3.132 3.805 1.00 0.00 H new ATOM 0 HA ILE A 113 0.897 -1.152 5.072 1.00 0.00 H new ATOM 0 HB ILE A 113 1.453 -4.033 5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.308 -3.152 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.368 -2.561 4.012 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.144 -4.021 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.330 -3.096 7.802 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -0.175 -2.242 7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.303 -4.798 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.475 -4.864 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.479 -5.465 4.952 1.00 0.00 H new ATOM 1727 N ALA A 114 3.627 -1.971 6.680 1.00 0.00 N ATOM 1728 CA ALA A 114 4.528 -1.547 7.738 1.00 0.00 C ATOM 1729 C ALA A 114 4.973 -0.106 7.475 1.00 0.00 C ATOM 1730 O ALA A 114 4.608 0.829 8.183 1.00 0.00 O ATOM 1731 CB ALA A 114 5.709 -2.515 7.822 1.00 0.00 C ATOM 0 H ALA A 114 3.960 -2.761 6.127 1.00 0.00 H new ATOM 0 HA ALA A 114 4.022 -1.566 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 114 6.385 -2.197 8.616 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.342 -3.518 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 114 6.243 -2.521 6.872 1.00 0.00 H new ATOM 1737 N TYR A 115 5.782 0.052 6.425 1.00 0.00 N ATOM 1738 CA TYR A 115 6.293 1.353 6.044 1.00 0.00 C ATOM 1739 C TYR A 115 5.202 2.402 6.203 1.00 0.00 C ATOM 1740 O TYR A 115 5.502 3.510 6.647 1.00 0.00 O ATOM 1741 CB TYR A 115 6.788 1.301 4.602 1.00 0.00 C ATOM 1742 CG TYR A 115 8.091 2.033 4.385 1.00 0.00 C ATOM 1743 CD1 TYR A 115 9.307 1.370 4.584 1.00 0.00 C ATOM 1744 CD2 TYR A 115 8.082 3.375 3.985 1.00 0.00 C ATOM 1745 CE1 TYR A 115 10.516 2.048 4.383 1.00 0.00 C ATOM 1746 CE2 TYR A 115 9.290 4.053 3.783 1.00 0.00 C ATOM 1747 CZ TYR A 115 10.507 3.389 3.983 1.00 0.00 C ATOM 1748 OH TYR A 115 11.684 4.050 3.786 1.00 0.00 O ATOM 0 H TYR A 115 6.093 -0.713 5.827 1.00 0.00 H new ATOM 0 HA TYR A 115 7.127 1.625 6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.912 0.259 4.306 1.00 0.00 H new ATOM 0 HB3 TYR A 115 6.027 1.729 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.313 0.335 4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.143 3.887 3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 115 11.455 1.536 4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 115 9.284 5.088 3.473 1.00 0.00 H new ATOM 0 HH TYR A 115 12.417 3.540 4.189 1.00 0.00 H new ATOM 1758 N LEU A 116 3.977 2.044 5.845 1.00 0.00 N ATOM 1759 CA LEU A 116 2.864 2.971 5.957 1.00 0.00 C ATOM 1760 C LEU A 116 2.564 3.225 7.436 1.00 0.00 C ATOM 1761 O LEU A 116 2.685 4.352 7.913 1.00 0.00 O ATOM 1762 CB LEU A 116 1.659 2.459 5.164 1.00 0.00 C ATOM 1763 CG LEU A 116 1.582 2.901 3.702 1.00 0.00 C ATOM 1764 CD1 LEU A 116 0.307 2.378 3.037 1.00 0.00 C ATOM 1765 CD2 LEU A 116 1.710 4.421 3.581 1.00 0.00 C ATOM 0 H LEU A 116 3.731 1.125 5.477 1.00 0.00 H new ATOM 0 HA LEU A 116 3.123 3.933 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.666 1.369 5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.751 2.786 5.670 1.00 0.00 H new ATOM 0 HG LEU A 116 2.426 2.464 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.277 2.707 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.298 1.289 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.564 2.766 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.652 4.709 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.901 4.899 4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.668 4.739 3.992 1.00 0.00 H new ATOM 1777 N LEU A 117 2.178 2.158 8.120 1.00 0.00 N ATOM 1778 CA LEU A 117 1.859 2.251 9.535 1.00 0.00 C ATOM 1779 C LEU A 117 2.854 3.193 10.216 1.00 0.00 C ATOM 1780 O LEU A 117 2.462 4.046 11.011 1.00 0.00 O ATOM 1781 CB LEU A 117 1.802 0.858 10.164 1.00 0.00 C ATOM 1782 CG LEU A 117 0.681 -0.057 9.667 1.00 0.00 C ATOM 1783 CD1 LEU A 117 1.053 -1.530 9.851 1.00 0.00 C ATOM 1784 CD2 LEU A 117 -0.648 0.287 10.344 1.00 0.00 C ATOM 0 H LEU A 117 2.079 1.225 7.721 1.00 0.00 H new ATOM 0 HA LEU A 117 0.866 2.679 9.675 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.756 0.361 9.985 1.00 0.00 H new ATOM 0 HB3 LEU A 117 1.699 0.972 11.243 1.00 0.00 H new ATOM 0 HG LEU A 117 0.551 0.111 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 117 0.239 -2.159 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.959 -1.750 9.286 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.226 -1.732 10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -1.428 -0.378 9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -0.549 0.165 11.423 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -0.914 1.320 10.119 1.00 0.00 H new ATOM 1796 N THR A 118 4.122 3.007 9.880 1.00 0.00 N ATOM 1797 CA THR A 118 5.175 3.830 10.449 1.00 0.00 C ATOM 1798 C THR A 118 5.209 5.200 9.769 1.00 0.00 C ATOM 1799 O THR A 118 5.443 6.216 10.422 1.00 0.00 O ATOM 1800 CB THR A 118 6.492 3.061 10.330 1.00 0.00 C ATOM 1801 OG1 THR A 118 7.459 3.936 10.903 1.00 0.00 O ATOM 1802 CG2 THR A 118 6.948 2.901 8.878 1.00 0.00 C ATOM 0 H THR A 118 4.444 2.298 9.221 1.00 0.00 H new ATOM 0 HA THR A 118 4.992 4.031 11.505 1.00 0.00 H new ATOM 0 HB THR A 118 6.379 2.077 10.786 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.343 3.514 10.868 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.887 2.348 8.850 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.189 2.356 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.093 3.885 8.432 1.00 0.00 H new ATOM 1810 N GLU A 119 4.970 5.184 8.465 1.00 0.00 N ATOM 1811 CA GLU A 119 4.970 6.413 7.690 1.00 0.00 C ATOM 1812 C GLU A 119 3.587 7.067 7.732 1.00 0.00 C ATOM 1813 O GLU A 119 2.732 6.774 6.898 1.00 0.00 O ATOM 1814 CB GLU A 119 5.408 6.151 6.247 1.00 0.00 C ATOM 1815 CG GLU A 119 6.867 5.695 6.192 1.00 0.00 C ATOM 1816 CD GLU A 119 7.759 6.782 5.588 1.00 0.00 C ATOM 1817 OE1 GLU A 119 7.857 6.808 4.342 1.00 0.00 O ATOM 1818 OE2 GLU A 119 8.321 7.563 6.385 1.00 0.00 O ATOM 0 H GLU A 119 4.775 4.340 7.927 1.00 0.00 H new ATOM 0 HA GLU A 119 5.690 7.100 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.768 5.389 5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.284 7.058 5.655 1.00 0.00 H new ATOM 0 HG2 GLU A 119 7.214 5.452 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.945 4.784 5.598 1.00 0.00 H new ATOM 1825 N THR A 120 3.411 7.940 8.713 1.00 0.00 N ATOM 1826 CA THR A 120 2.147 8.639 8.875 1.00 0.00 C ATOM 1827 C THR A 120 2.389 10.087 9.304 1.00 0.00 C ATOM 1828 O THR A 120 1.763 10.572 10.246 1.00 0.00 O ATOM 1829 CB THR A 120 1.293 7.845 9.866 1.00 0.00 C ATOM 1830 OG1 THR A 120 2.213 7.451 10.880 1.00 0.00 O ATOM 1831 CG2 THR A 120 0.794 6.523 9.281 1.00 0.00 C ATOM 0 H THR A 120 4.122 8.179 9.404 1.00 0.00 H new ATOM 0 HA THR A 120 1.604 8.700 7.932 1.00 0.00 H new ATOM 0 HB THR A 120 0.440 8.449 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.742 6.932 11.565 1.00 0.00 H new ATOM 0 HG21 THR A 120 0.194 6.000 10.025 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.186 6.722 8.399 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.647 5.904 9.002 1.00 0.00 H new ATOM 1839 N LYS A 121 3.298 10.737 8.593 1.00 0.00 N ATOM 1840 CA LYS A 121 3.631 12.120 8.889 1.00 0.00 C ATOM 1841 C LYS A 121 3.630 12.929 7.590 1.00 0.00 C ATOM 1842 O LYS A 121 4.574 12.902 6.804 1.00 0.00 O ATOM 1843 CB LYS A 121 4.948 12.201 9.663 1.00 0.00 C ATOM 1844 CG LYS A 121 4.869 11.402 10.965 1.00 0.00 C ATOM 1845 CD LYS A 121 6.266 11.136 11.531 1.00 0.00 C ATOM 1846 CE LYS A 121 6.390 11.672 12.959 1.00 0.00 C ATOM 1847 NZ LYS A 121 6.259 13.146 12.972 1.00 0.00 N ATOM 0 H LYS A 121 3.815 10.332 7.812 1.00 0.00 H new ATOM 0 HA LYS A 121 2.878 12.562 9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.761 11.818 9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.180 13.243 9.885 1.00 0.00 H new ATOM 0 HG2 LYS A 121 4.275 11.950 11.696 1.00 0.00 H new ATOM 0 HG3 LYS A 121 4.360 10.455 10.785 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.468 10.065 11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.016 11.607 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 121 5.620 11.227 13.589 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.353 11.383 13.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.715 13.528 13.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.718 13.543 12.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.252 13.405 12.973 1.00 0.00 H new ATOM 1861 N PRO A 122 2.532 13.660 7.382 1.00 0.00 N ATOM 1862 CA PRO A 122 2.319 14.500 6.223 1.00 0.00 C ATOM 1863 C PRO A 122 3.460 15.500 6.101 1.00 0.00 C ATOM 1864 O PRO A 122 4.169 15.715 7.083 1.00 0.00 O ATOM 1865 CB PRO A 122 0.995 15.211 6.493 1.00 0.00 C ATOM 1866 CG PRO A 122 0.284 14.369 7.479 1.00 0.00 C ATOM 1867 CD PRO A 122 1.403 13.715 8.285 1.00 0.00 C ATOM 0 HA PRO A 122 2.288 13.937 5.290 1.00 0.00 H new ATOM 0 HB2 PRO A 122 1.162 16.215 6.883 1.00 0.00 H new ATOM 0 HB3 PRO A 122 0.414 15.318 5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -0.369 14.966 8.115 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -0.342 13.624 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 122 1.639 14.296 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 122 1.117 12.718 8.621 1.00 0.00 H new ATOM 1875 N THR A 123 3.617 16.080 4.920 1.00 0.00 N ATOM 1876 CA THR A 123 4.677 17.049 4.697 1.00 0.00 C ATOM 1877 C THR A 123 4.215 18.449 5.104 1.00 0.00 C ATOM 1878 O THR A 123 4.820 19.080 5.969 1.00 0.00 O ATOM 1879 CB THR A 123 5.106 16.952 3.232 1.00 0.00 C ATOM 1880 OG1 THR A 123 5.663 15.645 3.118 1.00 0.00 O ATOM 1881 CG2 THR A 123 6.272 17.885 2.900 1.00 0.00 C ATOM 0 H THR A 123 3.028 15.898 4.107 1.00 0.00 H new ATOM 0 HA THR A 123 5.546 16.835 5.320 1.00 0.00 H new ATOM 0 HB THR A 123 4.258 17.189 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 123 5.965 15.497 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 123 6.537 17.777 1.848 1.00 0.00 H new ATOM 0 HG22 THR A 123 5.980 18.917 3.096 1.00 0.00 H new ATOM 0 HG23 THR A 123 7.132 17.628 3.519 1.00 0.00 H new ATOM 1889 N LYS A 124 3.146 18.894 4.461 1.00 0.00 N ATOM 1890 CA LYS A 124 2.595 20.209 4.745 1.00 0.00 C ATOM 1891 C LYS A 124 3.623 21.279 4.372 1.00 0.00 C ATOM 1892 O LYS A 124 3.570 21.840 3.279 1.00 0.00 O ATOM 1893 CB LYS A 124 2.123 20.289 6.198 1.00 0.00 C ATOM 1894 CG LYS A 124 0.836 21.108 6.312 1.00 0.00 C ATOM 1895 CD LYS A 124 0.999 22.249 7.319 1.00 0.00 C ATOM 1896 CE LYS A 124 0.384 21.879 8.670 1.00 0.00 C ATOM 1897 NZ LYS A 124 1.116 20.746 9.280 1.00 0.00 N ATOM 1898 OXT LYS A 124 4.499 21.545 5.222 1.00 0.00 O ATOM 0 H LYS A 124 2.646 18.368 3.744 1.00 0.00 H new ATOM 0 HA LYS A 124 1.710 20.391 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 124 1.954 19.284 6.585 1.00 0.00 H new ATOM 0 HB3 LYS A 124 2.902 20.741 6.813 1.00 0.00 H new ATOM 0 HG2 LYS A 124 0.572 21.515 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 124 0.015 20.461 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 124 2.057 22.477 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 124 0.523 23.150 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 124 0.413 22.740 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -0.665 21.613 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 0.741 20.563 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 0.996 19.897 8.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 2.127 20.981 9.346 1.00 0.00 H new TER 1912 LYS A 124 HETATM 1913 FE HEC A 125 -3.564 2.647 -5.258 1.00 0.00 FE HETATM 1914 CHA HEC A 125 -6.365 2.478 -3.253 1.00 0.00 C HETATM 1915 CHB HEC A 125 -1.839 0.696 -2.997 1.00 0.00 C HETATM 1916 CHC HEC A 125 -0.745 2.712 -7.294 1.00 0.00 C HETATM 1917 CHD HEC A 125 -5.282 4.671 -7.465 1.00 0.00 C HETATM 1918 NA HEC A 125 -3.997 1.820 -3.465 1.00 0.00 N HETATM 1919 C1A HEC A 125 -5.237 1.768 -2.853 1.00 0.00 C HETATM 1920 C2A HEC A 125 -5.203 0.864 -1.728 1.00 0.00 C HETATM 1921 C3A HEC A 125 -3.950 0.369 -1.654 1.00 0.00 C HETATM 1922 C4A HEC A 125 -3.195 0.960 -2.733 1.00 0.00 C HETATM 1923 CMA HEC A 125 -3.401 -0.612 -0.659 1.00 0.00 C HETATM 1924 CAA HEC A 125 -6.371 0.563 -0.833 1.00 0.00 C HETATM 1925 CBA HEC A 125 -7.273 -0.556 -1.346 1.00 0.00 C HETATM 1926 CGA HEC A 125 -6.466 -1.805 -1.672 1.00 0.00 C HETATM 1927 O1A HEC A 125 -6.161 -1.987 -2.870 1.00 0.00 O HETATM 1928 O2A HEC A 125 -6.170 -2.554 -0.716 1.00 0.00 O HETATM 1929 NB HEC A 125 -1.663 1.912 -5.136 1.00 0.00 N HETATM 1930 C1B HEC A 125 -1.183 1.041 -4.174 1.00 0.00 C HETATM 1931 C2B HEC A 125 0.112 0.531 -4.561 1.00 0.00 C HETATM 1932 C3B HEC A 125 0.418 1.088 -5.752 1.00 0.00 C HETATM 1933 C4B HEC A 125 -0.684 1.949 -6.114 1.00 0.00 C HETATM 1934 CMB HEC A 125 0.929 -0.437 -3.756 1.00 0.00 C HETATM 1935 CAB HEC A 125 1.654 0.882 -6.577 1.00 0.00 C HETATM 1936 CBB HEC A 125 1.975 -0.583 -6.860 1.00 0.00 C HETATM 1937 NC HEC A 125 -3.177 3.416 -7.100 1.00 0.00 N HETATM 1938 C1C HEC A 125 -1.956 3.418 -7.750 1.00 0.00 C HETATM 1939 C2C HEC A 125 -1.974 4.355 -8.849 1.00 0.00 C HETATM 1940 C3C HEC A 125 -3.200 4.921 -8.867 1.00 0.00 C HETATM 1941 C4C HEC A 125 -3.952 4.340 -7.780 1.00 0.00 C HETATM 1942 CMC HEC A 125 -0.821 4.618 -9.773 1.00 0.00 C HETATM 1943 CAC HEC A 125 -3.724 5.959 -9.816 1.00 0.00 C HETATM 1944 CBC HEC A 125 -3.701 5.529 -11.280 1.00 0.00 C HETATM 1945 ND HEC A 125 -5.421 3.440 -5.331 1.00 0.00 N HETATM 1946 C1D HEC A 125 -5.967 4.206 -6.347 1.00 0.00 C HETATM 1947 C2D HEC A 125 -7.364 4.462 -6.085 1.00 0.00 C HETATM 1948 C3D HEC A 125 -7.667 3.855 -4.918 1.00 0.00 C HETATM 1949 C4D HEC A 125 -6.461 3.217 -4.445 1.00 0.00 C HETATM 1950 CMD HEC A 125 -8.271 5.260 -6.975 1.00 0.00 C HETATM 1951 CAD HEC A 125 -8.990 3.823 -4.210 1.00 0.00 C HETATM 1952 CBD HEC A 125 -9.361 2.453 -3.650 1.00 0.00 C HETATM 1953 CGD HEC A 125 -9.561 2.513 -2.142 1.00 0.00 C HETATM 1954 O1D HEC A 125 -10.024 3.576 -1.673 1.00 0.00 O HETATM 1955 O2D HEC A 125 -9.248 1.496 -1.487 1.00 0.00 O HETATM 0 HMD3 HEC A 125 -7.883 6.274 -7.075 1.00 0.00 H new HETATM 0 HMD2 HEC A 125 -8.320 4.792 -7.958 1.00 0.00 H new HETATM 0 HMD1 HEC A 125 -9.270 5.295 -6.539 1.00 0.00 H new HETATM 0 HMC3 HEC A 125 0.031 4.981 -9.198 1.00 0.00 H new HETATM 0 HMC2 HEC A 125 -0.547 3.695 -10.284 1.00 0.00 H new HETATM 0 HMC1 HEC A 125 -1.108 5.369 -10.509 1.00 0.00 H new HETATM 0 HMB3 HEC A 125 1.153 -0.002 -2.782 1.00 0.00 H new HETATM 0 HMB2 HEC A 125 0.368 -1.361 -3.620 1.00 0.00 H new HETATM 0 HMB1 HEC A 125 1.860 -0.652 -4.281 1.00 0.00 H new HETATM 0 HMA3 HEC A 125 -3.493 -0.201 0.346 1.00 0.00 H new HETATM 0 HMA2 HEC A 125 -3.961 -1.545 -0.721 1.00 0.00 H new HETATM 0 HMA1 HEC A 125 -2.351 -0.804 -0.878 1.00 0.00 H new HETATM 0 HBD2 HEC A 125 -10.274 2.097 -4.127 1.00 0.00 H new HETATM 0 HBD1 HEC A 125 -8.576 1.735 -3.888 1.00 0.00 H new HETATM 0 HBC3 HEC A 125 -2.676 5.309 -11.578 1.00 0.00 H new HETATM 0 HBC2 HEC A 125 -4.315 4.638 -11.407 1.00 0.00 H new HETATM 0 HBC1 HEC A 125 -4.095 6.333 -11.902 1.00 0.00 H new HETATM 0 HBB3 HEC A 125 2.126 -1.111 -5.918 1.00 0.00 H new HETATM 0 HBB2 HEC A 125 1.147 -1.039 -7.403 1.00 0.00 H new HETATM 0 HBB1 HEC A 125 2.882 -0.647 -7.461 1.00 0.00 H new HETATM 0 HBA2 HEC A 125 -8.027 -0.792 -0.595 1.00 0.00 H new HETATM 0 HBA1 HEC A 125 -7.804 -0.220 -2.237 1.00 0.00 H new HETATM 0 HAD2 HEC A 125 -8.971 4.545 -3.394 1.00 0.00 H new HETATM 0 HAD1 HEC A 125 -9.769 4.144 -4.902 1.00 0.00 H new HETATM 0 HAA2 HEC A 125 -5.998 0.292 0.155 1.00 0.00 H new HETATM 0 HAA1 HEC A 125 -6.966 1.468 -0.712 1.00 0.00 H new HETATM 0 HHD HEC A 125 -5.813 5.338 -8.144 1.00 0.00 H new HETATM 0 HHC HEC A 125 0.154 2.785 -7.906 1.00 0.00 H new HETATM 0 HHB HEC A 125 -1.262 0.186 -2.226 1.00 0.00 H new HETATM 0 HHA HEC A 125 -7.235 2.460 -2.596 1.00 0.00 H new HETATM 0 H2D HEC A 125 -9.189 1.725 -0.536 1.00 0.00 H new HETATM 0 H2A HEC A 125 -6.767 -3.331 -0.713 1.00 0.00 H new