USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1012 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -6.82! C(o=-7.6!,f=-13!) USER MOD Set 1.2: A 120 CYS SG : rot -36:sc= -1.83 USER MOD Set 1.3: A 122 CYS SG : rot -18:sc= 0.344 USER MOD Set 1.4: A 127 CYS SG : rot -10:sc= 0.698 USER MOD Set 2.1: A 67 THR OG1 : rot -170:sc= -0.0184 USER MOD Set 2.2: A 103 MET CE :methyl 147:sc= -0.474 (180deg=-1.61!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.452 USER MOD Set 3.2: A 14 GLN : amide:sc= -2.17! C(o=-1.7!,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc=-0.00786 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 19 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.55) USER MOD Single : A 23 ASN :FLIP amide:sc= -6.06! C(o=-7.5!,f=-6.1!) USER MOD Single : A 35 ASN :FLIP amide:sc= -3.56! F(o=-4.3,f=-3.6!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 111:sc= 0.953 USER MOD Single : A 45 HIS : no HE2:sc= 0.467 K(o=0.47,f=-2.8!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.43 USER MOD Single : A 48 SER OG : rot 120:sc= -1.46 USER MOD Single : A 50 SER OG : rot 40:sc= 0.237 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 81:sc= 0.573! USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= 0.201 F(o=-0.97,f=0.2) USER MOD Single : A 61 ASN :FLIP amide:sc= -1.04 F(o=-5.3!,f=-1) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= -3.18! (180deg=-4.26!) USER MOD Single : A 65 LYS NZ :NH3+ -167:sc= -1.39 (180deg=-1.92) USER MOD Single : A 71 HIS : no HE2:sc= -2.03 K(o=-2,f=-3.2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 116:sc= -0.781 USER MOD Single : A 76 GLN :FLIP amide:sc= -3.28 F(o=-5.2!,f=-3.3) USER MOD Single : A 81 THR OG1 : rot -160:sc= -2.51 USER MOD Single : A 82 CYS SG : rot -70:sc= -1.53 USER MOD Single : A 88 ASN :FLIP amide:sc= -18.4! C(o=-20!,f=-18!) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 168:sc=-0.00647 (180deg=-0.131) USER MOD Single : A 97 THR OG1 : rot -140:sc= -0.676 USER MOD Single : A 100 LYS NZ :NH3+ -123:sc= 0.029 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 110 ASN : amide:sc= -1.49! C(o=-1.5!,f=-4!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= -0.622 (180deg=-0.622) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.621 20.309 6.558 1.00 0.00 N ATOM 2 CA MET A 1 9.525 20.144 7.549 1.00 0.00 C ATOM 3 C MET A 1 9.408 18.691 8.001 1.00 0.00 C ATOM 4 O MET A 1 9.667 18.367 9.160 1.00 0.00 O ATOM 5 CB MET A 1 8.216 20.608 6.907 1.00 0.00 C ATOM 6 CG MET A 1 7.500 21.691 7.699 1.00 0.00 C ATOM 7 SD MET A 1 7.950 23.354 7.168 1.00 0.00 S ATOM 8 CE MET A 1 6.417 24.231 7.464 1.00 0.00 C ATOM 0 H1 MET A 1 10.679 21.306 6.267 1.00 0.00 H new ATOM 0 H2 MET A 1 11.523 20.020 6.987 1.00 0.00 H new ATOM 0 H3 MET A 1 10.428 19.716 5.725 1.00 0.00 H new ATOM 0 HA MET A 1 9.743 20.745 8.432 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.425 20.981 5.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.552 19.751 6.796 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.423 21.560 7.595 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.734 21.576 8.757 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.536 25.277 7.183 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.621 23.784 6.868 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.159 24.166 8.521 1.00 0.00 H new ATOM 18 N ALA A 2 9.013 17.820 7.077 1.00 0.00 N ATOM 19 CA ALA A 2 8.860 16.402 7.377 1.00 0.00 C ATOM 20 C ALA A 2 8.505 15.614 6.121 1.00 0.00 C ATOM 21 O ALA A 2 7.590 14.789 6.130 1.00 0.00 O ATOM 22 CB ALA A 2 7.799 16.203 8.450 1.00 0.00 C ATOM 0 H ALA A 2 8.793 18.073 6.114 1.00 0.00 H new ATOM 0 HA ALA A 2 9.812 16.026 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.694 15.140 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.096 16.729 9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.846 16.597 8.097 1.00 0.00 H new ATOM 28 N MET A 3 9.234 15.874 5.040 1.00 0.00 N ATOM 29 CA MET A 3 8.996 15.191 3.774 1.00 0.00 C ATOM 30 C MET A 3 10.058 15.565 2.745 1.00 0.00 C ATOM 31 O MET A 3 10.057 16.676 2.214 1.00 0.00 O ATOM 32 CB MET A 3 7.606 15.539 3.238 1.00 0.00 C ATOM 33 CG MET A 3 7.278 17.022 3.319 1.00 0.00 C ATOM 34 SD MET A 3 7.083 17.785 1.696 1.00 0.00 S ATOM 35 CE MET A 3 6.480 19.408 2.154 1.00 0.00 C ATOM 0 H MET A 3 9.995 16.553 5.016 1.00 0.00 H new ATOM 0 HA MET A 3 9.052 14.117 3.953 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.534 15.215 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.858 14.978 3.799 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.360 17.156 3.891 1.00 0.00 H new ATOM 0 HG3 MET A 3 8.070 17.535 3.864 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.311 20.001 1.255 1.00 0.00 H new ATOM 0 HE2 MET A 3 5.544 19.307 2.703 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.218 19.906 2.783 1.00 0.00 H new ATOM 45 N ALA A 4 10.963 14.632 2.466 1.00 0.00 N ATOM 46 CA ALA A 4 12.029 14.869 1.499 1.00 0.00 C ATOM 47 C ALA A 4 12.881 13.620 1.296 1.00 0.00 C ATOM 48 O ALA A 4 14.105 13.702 1.186 1.00 0.00 O ATOM 49 CB ALA A 4 12.899 16.034 1.949 1.00 0.00 C ATOM 0 H ALA A 4 10.980 13.707 2.895 1.00 0.00 H new ATOM 0 HA ALA A 4 11.567 15.119 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 4 13.691 16.200 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 4 12.288 16.933 2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 4 13.342 15.804 2.918 1.00 0.00 H new ATOM 55 N ARG A 5 12.229 12.462 1.245 1.00 0.00 N ATOM 56 CA ARG A 5 12.933 11.200 1.052 1.00 0.00 C ATOM 57 C ARG A 5 12.079 10.214 0.259 1.00 0.00 C ATOM 58 O ARG A 5 11.048 10.582 -0.303 1.00 0.00 O ATOM 59 CB ARG A 5 13.324 10.594 2.404 1.00 0.00 C ATOM 60 CG ARG A 5 12.158 9.991 3.173 1.00 0.00 C ATOM 61 CD ARG A 5 11.183 11.057 3.644 1.00 0.00 C ATOM 62 NE ARG A 5 10.793 10.862 5.039 1.00 0.00 N ATOM 63 CZ ARG A 5 9.653 11.309 5.564 1.00 0.00 C ATOM 64 NH1 ARG A 5 8.784 11.977 4.815 1.00 0.00 N ATOM 65 NH2 ARG A 5 9.383 11.088 6.843 1.00 0.00 N ATOM 0 H ARG A 5 11.217 12.372 1.334 1.00 0.00 H new ATOM 0 HA ARG A 5 13.840 11.402 0.482 1.00 0.00 H new ATOM 0 HB2 ARG A 5 14.076 9.822 2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 5 13.789 11.367 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.636 9.275 2.539 1.00 0.00 H new ATOM 0 HG3 ARG A 5 12.536 9.439 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 5 11.637 12.041 3.528 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.294 11.040 3.013 1.00 0.00 H new ATOM 0 HE ARG A 5 11.433 10.352 5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.987 12.151 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.913 12.316 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.048 10.576 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.511 11.430 7.247 1.00 0.00 H new ATOM 79 N SER A 6 12.515 8.958 0.221 1.00 0.00 N ATOM 80 CA SER A 6 11.790 7.919 -0.501 1.00 0.00 C ATOM 81 C SER A 6 10.374 7.770 0.045 1.00 0.00 C ATOM 82 O SER A 6 9.399 8.100 -0.632 1.00 0.00 O ATOM 83 CB SER A 6 12.533 6.585 -0.400 1.00 0.00 C ATOM 84 OG SER A 6 11.952 5.611 -1.249 1.00 0.00 O ATOM 0 H SER A 6 13.366 8.636 0.682 1.00 0.00 H new ATOM 0 HA SER A 6 11.728 8.212 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.580 6.727 -0.668 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.513 6.231 0.631 1.00 0.00 H new ATOM 0 HG SER A 6 12.446 4.769 -1.167 1.00 0.00 H new ATOM 90 N ILE A 7 10.268 7.277 1.275 1.00 0.00 N ATOM 91 CA ILE A 7 8.971 7.091 1.912 1.00 0.00 C ATOM 92 C ILE A 7 8.407 8.422 2.393 1.00 0.00 C ATOM 93 O ILE A 7 9.079 9.167 3.104 1.00 0.00 O ATOM 94 CB ILE A 7 9.061 6.117 3.104 1.00 0.00 C ATOM 95 CG1 ILE A 7 7.669 5.840 3.674 1.00 0.00 C ATOM 96 CG2 ILE A 7 9.980 6.676 4.183 1.00 0.00 C ATOM 97 CD1 ILE A 7 7.587 4.566 4.485 1.00 0.00 C ATOM 0 H ILE A 7 11.064 7.000 1.849 1.00 0.00 H new ATOM 0 HA ILE A 7 8.305 6.665 1.162 1.00 0.00 H new ATOM 0 HB ILE A 7 9.482 5.176 2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.369 6.680 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.954 5.784 2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.031 5.975 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.978 6.823 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.589 7.630 4.535 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.571 4.436 4.857 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.855 3.717 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.276 4.626 5.327 1.00 0.00 H new ATOM 109 N SER A 8 7.171 8.720 2.003 1.00 0.00 N ATOM 110 CA SER A 8 6.542 9.973 2.406 1.00 0.00 C ATOM 111 C SER A 8 5.039 9.812 2.603 1.00 0.00 C ATOM 112 O SER A 8 4.361 9.158 1.811 1.00 0.00 O ATOM 113 CB SER A 8 6.811 11.061 1.368 1.00 0.00 C ATOM 114 OG SER A 8 8.202 11.231 1.155 1.00 0.00 O ATOM 0 H SER A 8 6.592 8.120 1.416 1.00 0.00 H new ATOM 0 HA SER A 8 6.979 10.264 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.325 10.799 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.373 12.002 1.701 1.00 0.00 H new ATOM 0 HG SER A 8 8.347 11.932 0.485 1.00 0.00 H new ATOM 120 N TYR A 9 4.528 10.435 3.660 1.00 0.00 N ATOM 121 CA TYR A 9 3.101 10.392 3.976 1.00 0.00 C ATOM 122 C TYR A 9 2.373 11.507 3.235 1.00 0.00 C ATOM 123 O TYR A 9 2.981 12.517 2.879 1.00 0.00 O ATOM 124 CB TYR A 9 2.851 10.527 5.487 1.00 0.00 C ATOM 125 CG TYR A 9 4.083 10.352 6.352 1.00 0.00 C ATOM 126 CD1 TYR A 9 4.922 11.427 6.625 1.00 0.00 C ATOM 127 CD2 TYR A 9 4.401 9.116 6.899 1.00 0.00 C ATOM 128 CE1 TYR A 9 6.043 11.272 7.419 1.00 0.00 C ATOM 129 CE2 TYR A 9 5.520 8.954 7.694 1.00 0.00 C ATOM 130 CZ TYR A 9 6.338 10.036 7.949 1.00 0.00 C ATOM 131 OH TYR A 9 7.454 9.879 8.740 1.00 0.00 O ATOM 0 H TYR A 9 5.085 10.980 4.318 1.00 0.00 H new ATOM 0 HA TYR A 9 2.718 9.423 3.656 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.422 11.510 5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.107 9.789 5.785 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.694 12.398 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.763 8.267 6.700 1.00 0.00 H new ATOM 0 HE1 TYR A 9 6.684 12.117 7.623 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.753 7.986 8.113 1.00 0.00 H new ATOM 0 HH TYR A 9 7.518 8.947 9.035 1.00 0.00 H new ATOM 141 N ILE A 10 1.075 11.332 2.995 1.00 0.00 N ATOM 142 CA ILE A 10 0.311 12.352 2.289 1.00 0.00 C ATOM 143 C ILE A 10 -0.904 12.798 3.093 1.00 0.00 C ATOM 144 O ILE A 10 -1.649 11.984 3.636 1.00 0.00 O ATOM 145 CB ILE A 10 -0.152 11.855 0.906 1.00 0.00 C ATOM 146 CG1 ILE A 10 -0.768 10.461 1.015 1.00 0.00 C ATOM 147 CG2 ILE A 10 1.016 11.850 -0.069 1.00 0.00 C ATOM 148 CD1 ILE A 10 -1.435 9.993 -0.261 1.00 0.00 C ATOM 0 H ILE A 10 0.541 10.509 3.274 1.00 0.00 H new ATOM 0 HA ILE A 10 0.979 13.203 2.155 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.915 12.536 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.010 9.749 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.502 10.459 1.821 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.676 11.497 -1.042 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.412 12.861 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.798 11.189 0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.850 8.996 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.236 10.683 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.700 9.962 -1.066 1.00 0.00 H new ATOM 160 N THR A 11 -1.084 14.113 3.158 1.00 0.00 N ATOM 161 CA THR A 11 -2.193 14.720 3.887 1.00 0.00 C ATOM 162 C THR A 11 -3.369 15.008 2.961 1.00 0.00 C ATOM 163 O THR A 11 -3.252 14.894 1.740 1.00 0.00 O ATOM 164 CB THR A 11 -1.737 16.012 4.566 1.00 0.00 C ATOM 165 OG1 THR A 11 -0.396 15.900 5.006 1.00 0.00 O ATOM 166 CG2 THR A 11 -2.583 16.389 5.763 1.00 0.00 C ATOM 0 H THR A 11 -0.466 14.788 2.707 1.00 0.00 H new ATOM 0 HA THR A 11 -2.522 14.011 4.647 1.00 0.00 H new ATOM 0 HB THR A 11 -1.841 16.789 3.809 1.00 0.00 H new ATOM 0 HG1 THR A 11 -0.122 16.737 5.436 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.206 17.315 6.198 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.617 16.531 5.448 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.536 15.593 6.507 1.00 0.00 H new ATOM 174 N SER A 12 -4.503 15.388 3.550 1.00 0.00 N ATOM 175 CA SER A 12 -5.705 15.703 2.780 1.00 0.00 C ATOM 176 C SER A 12 -5.367 16.549 1.553 1.00 0.00 C ATOM 177 O SER A 12 -5.771 16.226 0.437 1.00 0.00 O ATOM 178 CB SER A 12 -6.718 16.441 3.658 1.00 0.00 C ATOM 179 OG SER A 12 -8.045 16.087 3.313 1.00 0.00 O ATOM 0 H SER A 12 -4.614 15.485 4.559 1.00 0.00 H new ATOM 0 HA SER A 12 -6.142 14.764 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.536 16.204 4.706 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.585 17.517 3.547 1.00 0.00 H new ATOM 0 HG SER A 12 -8.673 16.571 3.889 1.00 0.00 H new ATOM 185 N THR A 13 -4.613 17.625 1.768 1.00 0.00 N ATOM 186 CA THR A 13 -4.213 18.502 0.674 1.00 0.00 C ATOM 187 C THR A 13 -3.275 17.779 -0.274 1.00 0.00 C ATOM 188 O THR A 13 -3.355 17.953 -1.484 1.00 0.00 O ATOM 189 CB THR A 13 -3.547 19.768 1.197 1.00 0.00 C ATOM 190 OG1 THR A 13 -2.597 19.458 2.202 1.00 0.00 O ATOM 191 CG2 THR A 13 -4.524 20.769 1.774 1.00 0.00 C ATOM 0 H THR A 13 -4.269 17.908 2.686 1.00 0.00 H new ATOM 0 HA THR A 13 -5.115 18.787 0.133 1.00 0.00 H new ATOM 0 HB THR A 13 -3.067 20.219 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.179 20.284 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.981 21.646 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.235 21.069 1.004 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.061 20.315 2.607 1.00 0.00 H new ATOM 199 N GLN A 14 -2.400 16.944 0.279 1.00 0.00 N ATOM 200 CA GLN A 14 -1.473 16.174 -0.540 1.00 0.00 C ATOM 201 C GLN A 14 -2.261 15.317 -1.518 1.00 0.00 C ATOM 202 O GLN A 14 -1.748 14.904 -2.558 1.00 0.00 O ATOM 203 CB GLN A 14 -0.571 15.324 0.357 1.00 0.00 C ATOM 204 CG GLN A 14 0.271 16.160 1.310 1.00 0.00 C ATOM 205 CD GLN A 14 1.573 15.488 1.700 1.00 0.00 C ATOM 206 OE1 GLN A 14 2.376 15.120 0.843 1.00 0.00 O ATOM 207 NE2 GLN A 14 1.788 15.322 3.000 1.00 0.00 N ATOM 0 H GLN A 14 -2.314 16.785 1.283 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.832 16.844 -1.113 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.187 14.634 0.934 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.087 14.719 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.490 17.121 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.308 16.367 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.095 15.642 3.677 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.646 14.874 3.322 1.00 0.00 H new ATOM 216 N LEU A 15 -3.535 15.112 -1.202 1.00 0.00 N ATOM 217 CA LEU A 15 -4.427 14.378 -2.072 1.00 0.00 C ATOM 218 C LEU A 15 -4.813 15.259 -3.262 1.00 0.00 C ATOM 219 O LEU A 15 -5.131 14.756 -4.340 1.00 0.00 O ATOM 220 CB LEU A 15 -5.680 13.943 -1.309 1.00 0.00 C ATOM 221 CG LEU A 15 -6.342 12.660 -1.816 1.00 0.00 C ATOM 222 CD1 LEU A 15 -6.960 12.883 -3.187 1.00 0.00 C ATOM 223 CD2 LEU A 15 -5.332 11.523 -1.865 1.00 0.00 C ATOM 0 H LEU A 15 -3.969 15.449 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.919 13.484 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.417 13.807 -0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.411 14.751 -1.352 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.137 12.386 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.426 11.959 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.714 13.668 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.184 13.182 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.820 10.618 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.516 11.790 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.935 11.345 -0.865 1.00 0.00 H new ATOM 235 N LEU A 16 -4.788 16.589 -3.057 1.00 0.00 N ATOM 236 CA LEU A 16 -5.145 17.528 -4.121 1.00 0.00 C ATOM 237 C LEU A 16 -4.235 17.353 -5.337 1.00 0.00 C ATOM 238 O LEU A 16 -4.725 17.152 -6.449 1.00 0.00 O ATOM 239 CB LEU A 16 -5.085 18.974 -3.609 1.00 0.00 C ATOM 240 CG LEU A 16 -5.285 20.063 -4.670 1.00 0.00 C ATOM 241 CD1 LEU A 16 -3.996 20.303 -5.443 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.419 19.692 -5.618 1.00 0.00 C ATOM 0 H LEU A 16 -4.527 17.027 -2.174 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.168 17.312 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.846 19.099 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.118 19.131 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.556 20.988 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.159 21.079 -6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.213 20.621 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.691 19.381 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.543 20.479 -6.362 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.182 18.753 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.344 19.579 -5.052 1.00 0.00 H new ATOM 254 N PRO A 17 -2.897 17.400 -5.154 1.00 0.00 N ATOM 255 CA PRO A 17 -1.956 17.214 -6.257 1.00 0.00 C ATOM 256 C PRO A 17 -2.413 16.080 -7.164 1.00 0.00 C ATOM 257 O PRO A 17 -2.797 16.308 -8.312 1.00 0.00 O ATOM 258 CB PRO A 17 -0.649 16.859 -5.550 1.00 0.00 C ATOM 259 CG PRO A 17 -0.739 17.537 -4.225 1.00 0.00 C ATOM 260 CD PRO A 17 -2.205 17.619 -3.874 1.00 0.00 C ATOM 0 HA PRO A 17 -1.865 18.091 -6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.541 15.780 -5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.215 17.208 -6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.191 16.978 -3.467 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.296 18.532 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.481 16.864 -3.138 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.458 18.589 -3.446 1.00 0.00 H new ATOM 268 N LEU A 18 -2.401 14.859 -6.632 1.00 0.00 N ATOM 269 CA LEU A 18 -2.851 13.701 -7.389 1.00 0.00 C ATOM 270 C LEU A 18 -2.050 13.559 -8.672 1.00 0.00 C ATOM 271 O LEU A 18 -2.517 13.911 -9.756 1.00 0.00 O ATOM 272 CB LEU A 18 -4.353 13.830 -7.687 1.00 0.00 C ATOM 273 CG LEU A 18 -4.991 12.737 -8.567 1.00 0.00 C ATOM 274 CD1 LEU A 18 -5.153 13.227 -10.000 1.00 0.00 C ATOM 275 CD2 LEU A 18 -4.197 11.437 -8.532 1.00 0.00 C ATOM 0 H LEU A 18 -2.086 14.650 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.690 12.801 -6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.886 13.852 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.521 14.793 -8.169 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.977 12.526 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.605 12.441 -10.605 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.794 14.108 -10.013 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.176 13.483 -10.410 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.684 10.696 -9.166 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.186 11.618 -8.896 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.153 11.065 -7.508 1.00 0.00 H new ATOM 287 N HIS A 19 -0.834 13.043 -8.525 1.00 0.00 N ATOM 288 CA HIS A 19 0.074 12.836 -9.659 1.00 0.00 C ATOM 289 C HIS A 19 -0.704 12.407 -10.897 1.00 0.00 C ATOM 290 O HIS A 19 -0.484 12.919 -11.994 1.00 0.00 O ATOM 291 CB HIS A 19 1.126 11.780 -9.314 1.00 0.00 C ATOM 292 CG HIS A 19 2.398 12.350 -8.771 1.00 0.00 C ATOM 293 ND1 HIS A 19 2.918 13.561 -9.179 1.00 0.00 N ATOM 294 CD2 HIS A 19 3.261 11.865 -7.848 1.00 0.00 C ATOM 295 CE1 HIS A 19 4.047 13.793 -8.533 1.00 0.00 C ATOM 296 NE2 HIS A 19 4.277 12.779 -7.718 1.00 0.00 N ATOM 0 H HIS A 19 -0.448 12.757 -7.625 1.00 0.00 H new ATOM 0 HA HIS A 19 0.576 13.780 -9.870 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.707 11.089 -8.583 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.352 11.200 -10.209 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.168 10.932 -7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 19 4.675 14.664 -8.651 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.079 12.690 -7.094 1.00 0.00 H new ATOM 305 N ARG A 20 -1.636 11.479 -10.688 1.00 0.00 N ATOM 306 CA ARG A 20 -2.505 10.966 -11.754 1.00 0.00 C ATOM 307 C ARG A 20 -1.866 9.814 -12.535 1.00 0.00 C ATOM 308 O ARG A 20 -2.452 9.316 -13.495 1.00 0.00 O ATOM 309 CB ARG A 20 -2.922 12.101 -12.707 1.00 0.00 C ATOM 310 CG ARG A 20 -2.095 12.193 -13.984 1.00 0.00 C ATOM 311 CD ARG A 20 -1.924 13.634 -14.433 1.00 0.00 C ATOM 312 NE ARG A 20 -1.012 13.749 -15.568 1.00 0.00 N ATOM 313 CZ ARG A 20 0.301 13.546 -15.488 1.00 0.00 C ATOM 314 NH1 ARG A 20 0.860 13.225 -14.328 1.00 0.00 N ATOM 315 NH2 ARG A 20 1.058 13.664 -16.570 1.00 0.00 N ATOM 0 H ARG A 20 -1.813 11.059 -9.775 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.394 10.563 -11.269 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.969 11.965 -12.977 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.851 13.049 -12.175 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.116 11.744 -13.818 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.579 11.619 -14.774 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.895 14.047 -14.705 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -1.546 14.230 -13.602 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.404 14.000 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.283 13.133 -13.492 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.867 13.071 -14.272 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.634 13.911 -17.464 1.00 0.00 H new ATOM 0 HH22 ARG A 20 2.064 13.508 -16.508 1.00 0.00 H new ATOM 329 N ARG A 21 -0.675 9.386 -12.128 1.00 0.00 N ATOM 330 CA ARG A 21 0.002 8.290 -12.814 1.00 0.00 C ATOM 331 C ARG A 21 -0.763 6.979 -12.633 1.00 0.00 C ATOM 332 O ARG A 21 -1.444 6.787 -11.626 1.00 0.00 O ATOM 333 CB ARG A 21 1.431 8.131 -12.294 1.00 0.00 C ATOM 334 CG ARG A 21 2.322 9.328 -12.585 1.00 0.00 C ATOM 335 CD ARG A 21 3.470 9.417 -11.593 1.00 0.00 C ATOM 336 NE ARG A 21 4.670 9.995 -12.191 1.00 0.00 N ATOM 337 CZ ARG A 21 4.823 11.295 -12.434 1.00 0.00 C ATOM 338 NH1 ARG A 21 3.845 12.148 -12.153 1.00 0.00 N ATOM 339 NH2 ARG A 21 5.954 11.743 -12.960 1.00 0.00 N ATOM 0 H ARG A 21 -0.163 9.776 -11.336 1.00 0.00 H new ATOM 0 HA ARG A 21 0.036 8.531 -13.876 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.400 7.965 -11.217 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.874 7.241 -12.741 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.719 9.251 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.731 10.243 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.164 10.021 -10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.698 8.421 -11.213 1.00 0.00 H new ATOM 0 HE ARG A 21 5.435 9.367 -12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.972 11.808 -11.749 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.967 13.143 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.708 11.092 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.071 12.739 -13.146 1.00 0.00 H new ATOM 353 N PRO A 22 -0.659 6.054 -13.607 1.00 0.00 N ATOM 354 CA PRO A 22 -1.337 4.760 -13.552 1.00 0.00 C ATOM 355 C PRO A 22 -0.569 3.756 -12.695 1.00 0.00 C ATOM 356 O PRO A 22 -1.155 2.874 -12.068 1.00 0.00 O ATOM 357 CB PRO A 22 -1.373 4.301 -15.020 1.00 0.00 C ATOM 358 CG PRO A 22 -0.668 5.362 -15.813 1.00 0.00 C ATOM 359 CD PRO A 22 0.122 6.187 -14.838 1.00 0.00 C ATOM 0 HA PRO A 22 -2.326 4.834 -13.100 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.880 3.336 -15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.400 4.178 -15.363 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.012 4.914 -16.559 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.385 5.982 -16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.138 5.811 -14.717 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.203 7.226 -15.157 1.00 0.00 H new ATOM 367 N ASN A 23 0.749 3.916 -12.670 1.00 0.00 N ATOM 368 CA ASN A 23 1.631 3.057 -11.890 1.00 0.00 C ATOM 369 C ASN A 23 1.500 3.346 -10.383 1.00 0.00 C ATOM 370 O ASN A 23 2.480 3.701 -9.731 1.00 0.00 O ATOM 371 CB ASN A 23 3.055 3.288 -12.323 1.00 0.00 C ATOM 372 CG ASN A 23 3.265 3.098 -13.805 1.00 0.00 C ATOM 373 OD1 ASN A 23 4.423 3.528 -14.278 1.00 0.00 O flip ATOM 374 ND2 ASN A 23 2.405 2.573 -14.513 1.00 0.00 N flip ATOM 0 H ASN A 23 1.236 4.645 -13.190 1.00 0.00 H new ATOM 0 HA ASN A 23 1.346 2.019 -12.064 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.352 4.300 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.708 2.605 -11.780 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.527 2.258 -14.100 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.570 2.453 -15.512 1.00 0.00 H new ATOM 381 N ILE A 24 0.290 3.219 -9.833 1.00 0.00 N ATOM 382 CA ILE A 24 0.069 3.489 -8.404 1.00 0.00 C ATOM 383 C ILE A 24 -0.824 2.429 -7.742 1.00 0.00 C ATOM 384 O ILE A 24 -1.793 1.963 -8.341 1.00 0.00 O ATOM 385 CB ILE A 24 -0.555 4.891 -8.185 1.00 0.00 C ATOM 386 CG1 ILE A 24 -1.262 4.971 -6.825 1.00 0.00 C ATOM 387 CG2 ILE A 24 -1.526 5.226 -9.307 1.00 0.00 C ATOM 388 CD1 ILE A 24 -1.387 6.378 -6.283 1.00 0.00 C ATOM 0 H ILE A 24 -0.545 2.935 -10.345 1.00 0.00 H new ATOM 0 HA ILE A 24 1.052 3.453 -7.934 1.00 0.00 H new ATOM 0 HB ILE A 24 0.252 5.624 -8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.258 4.538 -6.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.715 4.362 -6.105 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.954 6.214 -9.135 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.997 5.220 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.324 4.484 -9.331 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.897 6.353 -5.320 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.394 6.809 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.960 6.987 -6.981 1.00 0.00 H new ATOM 400 N ALA A 25 -0.504 2.075 -6.491 1.00 0.00 N ATOM 401 CA ALA A 25 -1.296 1.097 -5.738 1.00 0.00 C ATOM 402 C ALA A 25 -1.098 1.242 -4.222 1.00 0.00 C ATOM 403 O ALA A 25 -0.059 1.705 -3.764 1.00 0.00 O ATOM 404 CB ALA A 25 -0.966 -0.318 -6.184 1.00 0.00 C ATOM 0 H ALA A 25 0.296 2.450 -5.981 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.346 1.298 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.564 -1.028 -5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.189 -0.426 -7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.092 -0.516 -6.014 1.00 0.00 H new ATOM 410 N ILE A 26 -2.107 0.838 -3.453 1.00 0.00 N ATOM 411 CA ILE A 26 -2.054 0.914 -1.988 1.00 0.00 C ATOM 412 C ILE A 26 -1.821 -0.470 -1.357 1.00 0.00 C ATOM 413 O ILE A 26 -2.492 -1.437 -1.705 1.00 0.00 O ATOM 414 CB ILE A 26 -3.369 1.511 -1.428 1.00 0.00 C ATOM 415 CG1 ILE A 26 -3.389 3.031 -1.591 1.00 0.00 C ATOM 416 CG2 ILE A 26 -3.570 1.135 0.034 1.00 0.00 C ATOM 417 CD1 ILE A 26 -4.765 3.585 -1.893 1.00 0.00 C ATOM 0 H ILE A 26 -2.977 0.452 -3.819 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.216 1.561 -1.729 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.192 1.088 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.012 3.492 -0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.708 3.312 -2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.502 1.570 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.615 0.050 0.128 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.737 1.516 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.706 4.669 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.136 3.152 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.445 3.334 -1.079 1.00 0.00 H new ATOM 429 N ILE A 27 -0.887 -0.557 -0.411 1.00 0.00 N ATOM 430 CA ILE A 27 -0.610 -1.822 0.267 1.00 0.00 C ATOM 431 C ILE A 27 -1.382 -1.900 1.579 1.00 0.00 C ATOM 432 O ILE A 27 -1.507 -0.907 2.296 1.00 0.00 O ATOM 433 CB ILE A 27 0.904 -2.021 0.536 1.00 0.00 C ATOM 434 CG1 ILE A 27 1.560 -2.731 -0.651 1.00 0.00 C ATOM 435 CG2 ILE A 27 1.144 -2.815 1.816 1.00 0.00 C ATOM 436 CD1 ILE A 27 3.063 -2.562 -0.699 1.00 0.00 C ATOM 0 H ILE A 27 -0.314 0.227 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.937 -2.621 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 27 1.353 -1.036 0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.323 -3.794 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.129 -2.348 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.216 -2.936 1.974 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.711 -2.281 2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.677 -3.796 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.461 -3.091 -1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.308 -1.503 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.504 -2.971 0.210 1.00 0.00 H new ATOM 448 N ASP A 28 -1.893 -3.084 1.896 1.00 0.00 N ATOM 449 CA ASP A 28 -2.642 -3.271 3.133 1.00 0.00 C ATOM 450 C ASP A 28 -2.233 -4.561 3.836 1.00 0.00 C ATOM 451 O ASP A 28 -2.429 -5.653 3.303 1.00 0.00 O ATOM 452 CB ASP A 28 -4.153 -3.278 2.863 1.00 0.00 C ATOM 453 CG ASP A 28 -4.502 -3.675 1.439 1.00 0.00 C ATOM 454 OD1 ASP A 28 -4.038 -2.994 0.501 1.00 0.00 O ATOM 455 OD2 ASP A 28 -5.244 -4.664 1.264 1.00 0.00 O ATOM 0 H ASP A 28 -1.804 -3.921 1.320 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.407 -2.432 3.788 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.636 -3.968 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.557 -2.286 3.067 1.00 0.00 H new ATOM 460 N VAL A 29 -1.677 -4.429 5.045 1.00 0.00 N ATOM 461 CA VAL A 29 -1.261 -5.594 5.825 1.00 0.00 C ATOM 462 C VAL A 29 -2.363 -6.642 5.805 1.00 0.00 C ATOM 463 O VAL A 29 -3.541 -6.302 5.896 1.00 0.00 O ATOM 464 CB VAL A 29 -0.937 -5.215 7.284 1.00 0.00 C ATOM 465 CG1 VAL A 29 -2.154 -4.610 7.964 1.00 0.00 C ATOM 466 CG2 VAL A 29 -0.437 -6.428 8.054 1.00 0.00 C ATOM 0 H VAL A 29 -1.506 -3.532 5.500 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.355 -5.995 5.371 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.145 -4.466 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.904 -4.350 8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.462 -3.713 7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.970 -5.333 7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.214 -6.140 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.205 -7.202 8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.466 -6.813 7.580 1.00 0.00 H new ATOM 476 N ARG A 30 -1.994 -7.907 5.646 1.00 0.00 N ATOM 477 CA ARG A 30 -2.995 -8.958 5.571 1.00 0.00 C ATOM 478 C ARG A 30 -2.525 -10.273 6.197 1.00 0.00 C ATOM 479 O ARG A 30 -1.552 -10.311 6.950 1.00 0.00 O ATOM 480 CB ARG A 30 -3.404 -9.154 4.108 1.00 0.00 C ATOM 481 CG ARG A 30 -4.493 -8.196 3.653 1.00 0.00 C ATOM 482 CD ARG A 30 -5.727 -8.278 4.538 1.00 0.00 C ATOM 483 NE ARG A 30 -5.873 -7.103 5.393 1.00 0.00 N ATOM 484 CZ ARG A 30 -6.338 -5.930 4.968 1.00 0.00 C ATOM 485 NH1 ARG A 30 -6.701 -5.773 3.701 1.00 0.00 N ATOM 486 NH2 ARG A 30 -6.441 -4.912 5.811 1.00 0.00 N ATOM 0 H ARG A 30 -1.028 -8.224 5.568 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.859 -8.645 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.528 -9.025 3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.750 -10.178 3.969 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.107 -7.177 3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.769 -8.423 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.614 -8.383 3.913 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.668 -9.172 5.159 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.603 -7.186 6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -6.624 -6.553 3.048 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.057 -4.872 3.380 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -6.164 -5.027 6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.797 -4.014 5.485 1.00 0.00 H new ATOM 500 N ASP A 31 -3.267 -11.338 5.892 1.00 0.00 N ATOM 501 CA ASP A 31 -3.028 -12.685 6.410 1.00 0.00 C ATOM 502 C ASP A 31 -4.362 -13.414 6.372 1.00 0.00 C ATOM 503 O ASP A 31 -4.459 -14.572 5.967 1.00 0.00 O ATOM 504 CB ASP A 31 -2.495 -12.652 7.847 1.00 0.00 C ATOM 505 CG ASP A 31 -1.009 -12.945 7.923 1.00 0.00 C ATOM 506 OD1 ASP A 31 -0.582 -13.989 7.388 1.00 0.00 O ATOM 507 OD2 ASP A 31 -0.273 -12.129 8.517 1.00 0.00 O ATOM 0 H ASP A 31 -4.069 -11.287 5.264 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.275 -13.188 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.691 -11.672 8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.037 -13.382 8.449 1.00 0.00 H new ATOM 512 N GLU A 32 -5.393 -12.669 6.758 1.00 0.00 N ATOM 513 CA GLU A 32 -6.765 -13.139 6.747 1.00 0.00 C ATOM 514 C GLU A 32 -7.582 -12.178 5.892 1.00 0.00 C ATOM 515 O GLU A 32 -8.731 -11.860 6.198 1.00 0.00 O ATOM 516 CB GLU A 32 -7.329 -13.201 8.169 1.00 0.00 C ATOM 517 CG GLU A 32 -6.868 -14.416 8.956 1.00 0.00 C ATOM 518 CD GLU A 32 -7.855 -15.566 8.883 1.00 0.00 C ATOM 519 OE1 GLU A 32 -9.037 -15.315 8.572 1.00 0.00 O ATOM 520 OE2 GLU A 32 -7.443 -16.718 9.138 1.00 0.00 O ATOM 0 H GLU A 32 -5.293 -11.710 7.091 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.811 -14.146 6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.037 -12.299 8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.418 -13.203 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.902 -14.746 8.575 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.720 -14.134 9.999 1.00 0.00 H new ATOM 527 N GLU A 33 -6.944 -11.704 4.818 1.00 0.00 N ATOM 528 CA GLU A 33 -7.547 -10.752 3.886 1.00 0.00 C ATOM 529 C GLU A 33 -8.911 -11.208 3.384 1.00 0.00 C ATOM 530 O GLU A 33 -9.646 -10.429 2.778 1.00 0.00 O ATOM 531 CB GLU A 33 -6.612 -10.521 2.696 1.00 0.00 C ATOM 532 CG GLU A 33 -6.497 -11.721 1.767 1.00 0.00 C ATOM 533 CD GLU A 33 -5.263 -11.663 0.887 1.00 0.00 C ATOM 534 OE1 GLU A 33 -4.141 -11.703 1.436 1.00 0.00 O ATOM 535 OE2 GLU A 33 -5.418 -11.575 -0.349 1.00 0.00 O ATOM 0 H GLU A 33 -5.991 -11.972 4.571 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.696 -9.821 4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.969 -9.664 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.620 -10.265 3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.472 -12.634 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.385 -11.775 1.137 1.00 0.00 H new ATOM 542 N ARG A 34 -9.253 -12.463 3.633 1.00 0.00 N ATOM 543 CA ARG A 34 -10.532 -12.997 3.201 1.00 0.00 C ATOM 544 C ARG A 34 -11.646 -12.079 3.673 1.00 0.00 C ATOM 545 O ARG A 34 -12.556 -11.743 2.916 1.00 0.00 O ATOM 546 CB ARG A 34 -10.725 -14.417 3.754 1.00 0.00 C ATOM 547 CG ARG A 34 -12.181 -14.844 3.899 1.00 0.00 C ATOM 548 CD ARG A 34 -12.909 -14.827 2.565 1.00 0.00 C ATOM 549 NE ARG A 34 -14.316 -15.198 2.704 1.00 0.00 N ATOM 550 CZ ARG A 34 -15.247 -14.398 3.221 1.00 0.00 C ATOM 551 NH1 ARG A 34 -14.927 -13.182 3.646 1.00 0.00 N ATOM 552 NH2 ARG A 34 -16.502 -14.816 3.315 1.00 0.00 N ATOM 0 H ARG A 34 -8.662 -13.129 4.131 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.557 -13.051 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -10.216 -15.122 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.241 -14.483 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.225 -15.846 4.325 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.687 -14.178 4.598 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.838 -13.832 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.419 -15.515 1.876 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.602 -16.124 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.963 -12.855 3.578 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.645 -12.574 4.041 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.754 -15.750 2.991 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.215 -14.204 3.711 1.00 0.00 H new ATOM 566 N ASN A 35 -11.562 -11.674 4.933 1.00 0.00 N ATOM 567 CA ASN A 35 -12.561 -10.794 5.502 1.00 0.00 C ATOM 568 C ASN A 35 -12.256 -9.319 5.216 1.00 0.00 C ATOM 569 O ASN A 35 -13.131 -8.566 4.786 1.00 0.00 O ATOM 570 CB ASN A 35 -12.700 -11.034 7.009 1.00 0.00 C ATOM 571 CG ASN A 35 -11.557 -10.440 7.811 1.00 0.00 C ATOM 572 OD1 ASN A 35 -11.762 -9.231 8.321 1.00 0.00 O flip ATOM 573 ND2 ASN A 35 -10.506 -11.060 7.969 1.00 0.00 N flip ATOM 0 H ASN A 35 -10.815 -11.942 5.574 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.511 -11.029 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.641 -10.605 7.355 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.750 -12.106 7.198 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.394 -11.987 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.747 -10.647 8.511 1.00 0.00 H new ATOM 580 N TYR A 36 -11.016 -8.916 5.478 1.00 0.00 N ATOM 581 CA TYR A 36 -10.584 -7.531 5.277 1.00 0.00 C ATOM 582 C TYR A 36 -10.565 -7.129 3.801 1.00 0.00 C ATOM 583 O TYR A 36 -10.421 -5.949 3.480 1.00 0.00 O ATOM 584 CB TYR A 36 -9.193 -7.323 5.878 1.00 0.00 C ATOM 585 CG TYR A 36 -9.092 -7.713 7.336 1.00 0.00 C ATOM 586 CD1 TYR A 36 -9.370 -6.794 8.341 1.00 0.00 C ATOM 587 CD2 TYR A 36 -8.717 -8.997 7.708 1.00 0.00 C ATOM 588 CE1 TYR A 36 -9.276 -7.145 9.674 1.00 0.00 C ATOM 589 CE2 TYR A 36 -8.621 -9.356 9.039 1.00 0.00 C ATOM 590 CZ TYR A 36 -8.902 -8.427 10.018 1.00 0.00 C ATOM 591 OH TYR A 36 -8.807 -8.780 11.344 1.00 0.00 O ATOM 0 H TYR A 36 -10.285 -9.533 5.833 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.312 -6.896 5.782 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.470 -7.904 5.306 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.915 -6.274 5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.664 -5.789 8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.497 -9.728 6.944 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.494 -6.419 10.443 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.327 -10.359 9.311 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.533 -9.718 11.414 1.00 0.00 H new ATOM 601 N ASP A 37 -10.689 -8.110 2.908 1.00 0.00 N ATOM 602 CA ASP A 37 -10.665 -7.864 1.462 1.00 0.00 C ATOM 603 C ASP A 37 -11.343 -6.546 1.095 1.00 0.00 C ATOM 604 O ASP A 37 -10.909 -5.850 0.177 1.00 0.00 O ATOM 605 CB ASP A 37 -11.344 -9.016 0.721 1.00 0.00 C ATOM 606 CG ASP A 37 -12.755 -9.274 1.216 1.00 0.00 C ATOM 607 OD1 ASP A 37 -13.131 -8.705 2.263 1.00 0.00 O ATOM 608 OD2 ASP A 37 -13.483 -10.045 0.556 1.00 0.00 O ATOM 0 H ASP A 37 -10.808 -9.091 3.161 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.620 -7.797 1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -11.372 -8.792 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.749 -9.922 0.841 1.00 0.00 H new ATOM 613 N GLY A 38 -12.405 -6.209 1.817 1.00 0.00 N ATOM 614 CA GLY A 38 -13.125 -4.973 1.549 1.00 0.00 C ATOM 615 C GLY A 38 -13.471 -4.804 0.079 1.00 0.00 C ATOM 616 O GLY A 38 -13.204 -5.694 -0.729 1.00 0.00 O ATOM 0 H GLY A 38 -12.782 -6.767 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.042 -4.956 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.520 -4.127 1.876 1.00 0.00 H new ATOM 620 N HIS A 39 -14.071 -3.668 -0.273 1.00 0.00 N ATOM 621 CA HIS A 39 -14.449 -3.409 -1.658 1.00 0.00 C ATOM 622 C HIS A 39 -14.190 -1.949 -2.033 1.00 0.00 C ATOM 623 O HIS A 39 -13.563 -1.214 -1.271 1.00 0.00 O ATOM 624 CB HIS A 39 -15.912 -3.785 -1.877 1.00 0.00 C ATOM 625 CG HIS A 39 -16.316 -5.035 -1.156 1.00 0.00 C ATOM 626 ND1 HIS A 39 -16.701 -6.162 -1.842 1.00 0.00 N ATOM 627 CD2 HIS A 39 -16.384 -5.283 0.175 1.00 0.00 C ATOM 628 CE1 HIS A 39 -16.991 -7.064 -0.922 1.00 0.00 C ATOM 629 NE2 HIS A 39 -16.814 -6.578 0.316 1.00 0.00 N ATOM 0 H HIS A 39 -14.304 -2.918 0.378 1.00 0.00 H new ATOM 0 HA HIS A 39 -13.832 -4.027 -2.311 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.545 -2.962 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.091 -3.915 -2.944 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -16.752 -6.278 -2.854 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -16.145 -4.594 0.971 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -17.328 -8.067 -1.139 1.00 0.00 H new ATOM 637 N ILE A 40 -14.630 -1.538 -3.229 1.00 0.00 N ATOM 638 CA ILE A 40 -14.383 -0.171 -3.698 1.00 0.00 C ATOM 639 C ILE A 40 -12.888 0.105 -3.569 1.00 0.00 C ATOM 640 O ILE A 40 -12.445 1.204 -3.244 1.00 0.00 O ATOM 641 CB ILE A 40 -15.228 0.876 -2.921 1.00 0.00 C ATOM 642 CG1 ILE A 40 -16.665 0.882 -3.453 1.00 0.00 C ATOM 643 CG2 ILE A 40 -14.632 2.277 -3.021 1.00 0.00 C ATOM 644 CD1 ILE A 40 -16.851 1.697 -4.717 1.00 0.00 C ATOM 0 H ILE A 40 -15.152 -2.124 -3.881 1.00 0.00 H new ATOM 0 HA ILE A 40 -14.691 -0.082 -4.740 1.00 0.00 H new ATOM 0 HB ILE A 40 -15.224 0.590 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -16.974 -0.145 -3.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -17.326 1.274 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -15.254 2.978 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -13.625 2.275 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -14.591 2.581 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -17.894 1.651 -5.029 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -16.575 2.734 -4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -16.218 1.293 -5.507 1.00 0.00 H new ATOM 656 N ALA A 41 -12.125 -0.952 -3.811 1.00 0.00 N ATOM 657 CA ALA A 41 -10.675 -0.912 -3.730 1.00 0.00 C ATOM 658 C ALA A 41 -10.023 -1.762 -4.821 1.00 0.00 C ATOM 659 O ALA A 41 -10.515 -2.835 -5.174 1.00 0.00 O ATOM 660 CB ALA A 41 -10.212 -1.370 -2.354 1.00 0.00 C ATOM 0 H ALA A 41 -12.498 -1.865 -4.070 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.363 0.120 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.124 -1.335 -2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.630 -0.712 -1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.551 -2.391 -2.177 1.00 0.00 H new ATOM 666 N GLY A 42 -8.910 -1.272 -5.344 1.00 0.00 N ATOM 667 CA GLY A 42 -8.169 -1.978 -6.368 1.00 0.00 C ATOM 668 C GLY A 42 -6.735 -2.253 -5.943 1.00 0.00 C ATOM 669 O GLY A 42 -6.005 -2.973 -6.623 1.00 0.00 O ATOM 0 H GLY A 42 -8.500 -0.379 -5.070 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.668 -2.921 -6.592 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.169 -1.391 -7.286 1.00 0.00 H new ATOM 673 N SER A 43 -6.335 -1.669 -4.812 1.00 0.00 N ATOM 674 CA SER A 43 -4.991 -1.836 -4.279 1.00 0.00 C ATOM 675 C SER A 43 -4.645 -3.309 -4.082 1.00 0.00 C ATOM 676 O SER A 43 -5.323 -4.194 -4.605 1.00 0.00 O ATOM 677 CB SER A 43 -4.876 -1.081 -2.952 1.00 0.00 C ATOM 678 OG SER A 43 -5.023 -1.951 -1.842 1.00 0.00 O ATOM 0 H SER A 43 -6.935 -1.070 -4.245 1.00 0.00 H new ATOM 0 HA SER A 43 -4.281 -1.428 -4.998 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.908 -0.583 -2.899 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.638 -0.303 -2.908 1.00 0.00 H new ATOM 0 HG SER A 43 -4.165 -2.033 -1.375 1.00 0.00 H new ATOM 684 N LEU A 44 -3.580 -3.564 -3.328 1.00 0.00 N ATOM 685 CA LEU A 44 -3.138 -4.926 -3.068 1.00 0.00 C ATOM 686 C LEU A 44 -3.061 -5.219 -1.571 1.00 0.00 C ATOM 687 O LEU A 44 -2.487 -4.454 -0.797 1.00 0.00 O ATOM 688 CB LEU A 44 -1.774 -5.178 -3.716 1.00 0.00 C ATOM 689 CG LEU A 44 -1.574 -4.541 -5.094 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.782 -4.796 -5.986 1.00 0.00 C ATOM 691 CD2 LEU A 44 -1.309 -3.050 -4.953 1.00 0.00 C ATOM 0 H LEU A 44 -3.008 -2.844 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.877 -5.597 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.998 -4.806 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.627 -6.254 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.706 -5.001 -5.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.619 -4.335 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.921 -5.870 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.672 -4.366 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.169 -2.610 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.158 -2.575 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.410 -2.895 -4.356 1.00 0.00 H new ATOM 703 N HIS A 45 -3.633 -6.356 -1.191 1.00 0.00 N ATOM 704 CA HIS A 45 -3.633 -6.807 0.195 1.00 0.00 C ATOM 705 C HIS A 45 -2.580 -7.896 0.361 1.00 0.00 C ATOM 706 O HIS A 45 -2.674 -8.951 -0.268 1.00 0.00 O ATOM 707 CB HIS A 45 -5.017 -7.346 0.586 1.00 0.00 C ATOM 708 CG HIS A 45 -6.082 -7.119 -0.446 1.00 0.00 C ATOM 709 ND1 HIS A 45 -6.730 -5.913 -0.609 1.00 0.00 N ATOM 710 CD2 HIS A 45 -6.607 -7.955 -1.373 1.00 0.00 C ATOM 711 CE1 HIS A 45 -7.609 -6.017 -1.590 1.00 0.00 C ATOM 712 NE2 HIS A 45 -7.554 -7.245 -2.071 1.00 0.00 N ATOM 0 H HIS A 45 -4.109 -6.989 -1.834 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.399 -5.966 0.848 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.936 -8.416 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.326 -6.876 1.520 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -6.558 -5.072 -0.058 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.333 -8.987 -1.534 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.262 -5.231 -1.939 1.00 0.00 H new ATOM 721 N TYR A 46 -1.555 -7.639 1.172 1.00 0.00 N ATOM 722 CA TYR A 46 -0.489 -8.612 1.348 1.00 0.00 C ATOM 723 C TYR A 46 -0.218 -8.903 2.830 1.00 0.00 C ATOM 724 O TYR A 46 -0.390 -8.035 3.683 1.00 0.00 O ATOM 725 CB TYR A 46 0.762 -8.099 0.623 1.00 0.00 C ATOM 726 CG TYR A 46 1.957 -7.864 1.508 1.00 0.00 C ATOM 727 CD1 TYR A 46 1.896 -7.004 2.591 1.00 0.00 C ATOM 728 CD2 TYR A 46 3.141 -8.522 1.257 1.00 0.00 C ATOM 729 CE1 TYR A 46 2.990 -6.810 3.403 1.00 0.00 C ATOM 730 CE2 TYR A 46 4.244 -8.343 2.053 1.00 0.00 C ATOM 731 CZ TYR A 46 4.168 -7.485 3.134 1.00 0.00 C ATOM 732 OH TYR A 46 5.267 -7.296 3.942 1.00 0.00 O ATOM 0 H TYR A 46 -1.444 -6.778 1.708 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.792 -9.564 0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.036 -8.817 -0.150 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.514 -7.166 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 46 0.977 -6.478 2.802 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.202 -9.194 0.414 1.00 0.00 H new ATOM 0 HE1 TYR A 46 2.930 -6.136 4.244 1.00 0.00 H new ATOM 0 HE2 TYR A 46 5.163 -8.868 1.837 1.00 0.00 H new ATOM 0 HH TYR A 46 6.011 -7.844 3.616 1.00 0.00 H new ATOM 742 N ALA A 47 0.197 -10.138 3.119 1.00 0.00 N ATOM 743 CA ALA A 47 0.483 -10.570 4.485 1.00 0.00 C ATOM 744 C ALA A 47 1.982 -10.513 4.793 1.00 0.00 C ATOM 745 O ALA A 47 2.706 -9.697 4.221 1.00 0.00 O ATOM 746 CB ALA A 47 -0.051 -11.980 4.699 1.00 0.00 C ATOM 0 H ALA A 47 0.343 -10.862 2.416 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.016 -9.885 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.164 -12.300 5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.129 -11.990 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.429 -12.661 3.997 1.00 0.00 H new ATOM 752 N SER A 48 2.446 -11.375 5.704 1.00 0.00 N ATOM 753 CA SER A 48 3.857 -11.398 6.077 1.00 0.00 C ATOM 754 C SER A 48 4.281 -12.755 6.639 1.00 0.00 C ATOM 755 O SER A 48 5.164 -12.827 7.495 1.00 0.00 O ATOM 756 CB SER A 48 4.139 -10.306 7.106 1.00 0.00 C ATOM 757 OG SER A 48 3.058 -10.168 8.011 1.00 0.00 O ATOM 0 H SER A 48 1.867 -12.059 6.191 1.00 0.00 H new ATOM 0 HA SER A 48 4.438 -11.218 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.049 -10.546 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.314 -9.358 6.597 1.00 0.00 H new ATOM 0 HG SER A 48 3.371 -10.343 8.923 1.00 0.00 H new ATOM 763 N GLY A 49 3.668 -13.826 6.149 1.00 0.00 N ATOM 764 CA GLY A 49 4.021 -15.158 6.616 1.00 0.00 C ATOM 765 C GLY A 49 5.247 -15.698 5.902 1.00 0.00 C ATOM 766 O GLY A 49 6.025 -16.466 6.466 1.00 0.00 O ATOM 0 H GLY A 49 2.936 -13.799 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.208 -15.129 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.181 -15.834 6.457 1.00 0.00 H new ATOM 770 N SER A 50 5.409 -15.276 4.656 1.00 0.00 N ATOM 771 CA SER A 50 6.532 -15.683 3.820 1.00 0.00 C ATOM 772 C SER A 50 6.682 -14.693 2.680 1.00 0.00 C ATOM 773 O SER A 50 7.067 -15.055 1.569 1.00 0.00 O ATOM 774 CB SER A 50 6.312 -17.093 3.270 1.00 0.00 C ATOM 775 OG SER A 50 6.948 -18.063 4.085 1.00 0.00 O ATOM 0 H SER A 50 4.762 -14.638 4.193 1.00 0.00 H new ATOM 0 HA SER A 50 7.442 -15.694 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.244 -17.303 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.701 -17.155 2.254 1.00 0.00 H new ATOM 0 HG SER A 50 6.832 -17.825 5.028 1.00 0.00 H new ATOM 781 N PHE A 51 6.351 -13.437 2.966 1.00 0.00 N ATOM 782 CA PHE A 51 6.423 -12.391 1.963 1.00 0.00 C ATOM 783 C PHE A 51 7.815 -11.811 1.819 1.00 0.00 C ATOM 784 O PHE A 51 8.055 -10.938 0.986 1.00 0.00 O ATOM 785 CB PHE A 51 5.403 -11.312 2.245 1.00 0.00 C ATOM 786 CG PHE A 51 4.466 -11.167 1.097 1.00 0.00 C ATOM 787 CD1 PHE A 51 4.951 -10.725 -0.111 1.00 0.00 C ATOM 788 CD2 PHE A 51 3.129 -11.497 1.210 1.00 0.00 C ATOM 789 CE1 PHE A 51 4.116 -10.606 -1.208 1.00 0.00 C ATOM 790 CE2 PHE A 51 2.282 -11.379 0.123 1.00 0.00 C ATOM 791 CZ PHE A 51 2.777 -10.933 -1.090 1.00 0.00 C ATOM 0 H PHE A 51 6.032 -13.124 3.883 1.00 0.00 H new ATOM 0 HA PHE A 51 6.185 -12.851 1.004 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.845 -11.558 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.909 -10.365 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.996 -10.468 -0.205 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.742 -11.850 2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.508 -10.259 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.237 -11.634 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.120 -10.841 -1.942 1.00 0.00 H new ATOM 801 N ASP A 52 8.735 -12.354 2.580 1.00 0.00 N ATOM 802 CA ASP A 52 10.128 -11.956 2.494 1.00 0.00 C ATOM 803 C ASP A 52 10.714 -12.542 1.214 1.00 0.00 C ATOM 804 O ASP A 52 11.894 -12.368 0.913 1.00 0.00 O ATOM 805 CB ASP A 52 10.919 -12.467 3.706 1.00 0.00 C ATOM 806 CG ASP A 52 10.124 -12.421 5.000 1.00 0.00 C ATOM 807 OD1 ASP A 52 8.991 -12.945 5.024 1.00 0.00 O ATOM 808 OD2 ASP A 52 10.639 -11.861 5.992 1.00 0.00 O ATOM 0 H ASP A 52 8.546 -13.079 3.272 1.00 0.00 H new ATOM 0 HA ASP A 52 10.194 -10.868 2.484 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.237 -13.493 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.823 -11.869 3.821 1.00 0.00 H new ATOM 813 N ASP A 53 9.865 -13.262 0.478 1.00 0.00 N ATOM 814 CA ASP A 53 10.257 -13.908 -0.753 1.00 0.00 C ATOM 815 C ASP A 53 9.474 -13.361 -1.953 1.00 0.00 C ATOM 816 O ASP A 53 9.666 -13.830 -3.075 1.00 0.00 O ATOM 817 CB ASP A 53 10.022 -15.415 -0.617 1.00 0.00 C ATOM 818 CG ASP A 53 11.298 -16.218 -0.778 1.00 0.00 C ATOM 819 OD1 ASP A 53 11.810 -16.298 -1.915 1.00 0.00 O ATOM 820 OD2 ASP A 53 11.785 -16.768 0.232 1.00 0.00 O ATOM 0 H ASP A 53 8.887 -13.407 0.729 1.00 0.00 H new ATOM 0 HA ASP A 53 11.313 -13.705 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 53 9.585 -15.625 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.298 -15.736 -1.366 1.00 0.00 H new ATOM 825 N LYS A 54 8.588 -12.377 -1.733 1.00 0.00 N ATOM 826 CA LYS A 54 7.808 -11.824 -2.843 1.00 0.00 C ATOM 827 C LYS A 54 8.100 -10.337 -3.056 1.00 0.00 C ATOM 828 O LYS A 54 8.012 -9.835 -4.174 1.00 0.00 O ATOM 829 CB LYS A 54 6.318 -12.044 -2.602 1.00 0.00 C ATOM 830 CG LYS A 54 5.777 -13.307 -3.250 1.00 0.00 C ATOM 831 CD LYS A 54 4.534 -13.811 -2.533 1.00 0.00 C ATOM 832 CE LYS A 54 4.659 -15.282 -2.165 1.00 0.00 C ATOM 833 NZ LYS A 54 3.360 -15.852 -1.711 1.00 0.00 N ATOM 0 H LYS A 54 8.399 -11.959 -0.822 1.00 0.00 H new ATOM 0 HA LYS A 54 8.104 -12.350 -3.751 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.135 -12.089 -1.528 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.766 -11.185 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.540 -13.109 -4.295 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.544 -14.081 -3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.370 -13.222 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.662 -13.667 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.020 -15.843 -3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.402 -15.397 -1.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.487 -16.856 -1.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.027 -15.334 -0.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.658 -15.765 -2.473 1.00 0.00 H new ATOM 847 N ILE A 55 8.462 -9.639 -1.984 1.00 0.00 N ATOM 848 CA ILE A 55 8.783 -8.221 -2.085 1.00 0.00 C ATOM 849 C ILE A 55 9.833 -8.003 -3.174 1.00 0.00 C ATOM 850 O ILE A 55 9.884 -6.946 -3.803 1.00 0.00 O ATOM 851 CB ILE A 55 9.295 -7.656 -0.741 1.00 0.00 C ATOM 852 CG1 ILE A 55 8.260 -7.894 0.361 1.00 0.00 C ATOM 853 CG2 ILE A 55 9.609 -6.171 -0.859 1.00 0.00 C ATOM 854 CD1 ILE A 55 8.869 -8.270 1.692 1.00 0.00 C ATOM 0 H ILE A 55 8.540 -10.028 -1.044 1.00 0.00 H new ATOM 0 HA ILE A 55 7.868 -7.688 -2.345 1.00 0.00 H new ATOM 0 HB ILE A 55 10.216 -8.178 -0.480 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.661 -6.992 0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.581 -8.686 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.967 -5.798 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.378 -6.021 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.707 -5.630 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.076 -8.423 2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.444 -9.189 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.526 -7.469 2.031 1.00 0.00 H new ATOM 866 N SER A 56 10.651 -9.030 -3.408 1.00 0.00 N ATOM 867 CA SER A 56 11.674 -8.969 -4.444 1.00 0.00 C ATOM 868 C SER A 56 11.110 -9.379 -5.781 1.00 0.00 C ATOM 869 O SER A 56 11.667 -9.073 -6.828 1.00 0.00 O ATOM 870 CB SER A 56 12.920 -9.777 -4.114 1.00 0.00 C ATOM 871 OG SER A 56 13.468 -9.372 -2.872 1.00 0.00 O ATOM 0 H SER A 56 10.623 -9.910 -2.894 1.00 0.00 H new ATOM 0 HA SER A 56 11.991 -7.927 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.672 -10.838 -4.079 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.661 -9.649 -4.903 1.00 0.00 H new ATOM 0 HG SER A 56 12.972 -9.797 -2.141 1.00 0.00 H new ATOM 877 N HIS A 57 9.950 -9.976 -5.742 1.00 0.00 N ATOM 878 CA HIS A 57 9.244 -10.298 -6.961 1.00 0.00 C ATOM 879 C HIS A 57 8.968 -8.941 -7.586 1.00 0.00 C ATOM 880 O HIS A 57 9.081 -8.729 -8.795 1.00 0.00 O ATOM 881 CB HIS A 57 7.951 -11.065 -6.676 1.00 0.00 C ATOM 882 CG HIS A 57 7.201 -11.462 -7.910 1.00 0.00 C ATOM 883 ND1 HIS A 57 6.184 -10.704 -8.449 1.00 0.00 N ATOM 884 CD2 HIS A 57 7.327 -12.546 -8.712 1.00 0.00 C ATOM 885 CE1 HIS A 57 5.716 -11.305 -9.530 1.00 0.00 C ATOM 886 NE2 HIS A 57 6.392 -12.424 -9.710 1.00 0.00 N ATOM 0 H HIS A 57 9.471 -10.250 -4.884 1.00 0.00 H new ATOM 0 HA HIS A 57 9.816 -10.952 -7.619 1.00 0.00 H new ATOM 0 HB2 HIS A 57 8.189 -11.961 -6.103 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.304 -10.449 -6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.031 -13.355 -8.589 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.916 -10.942 -10.159 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.244 -13.090 -10.468 1.00 0.00 H new ATOM 895 N LEU A 58 8.696 -7.998 -6.677 1.00 0.00 N ATOM 896 CA LEU A 58 8.498 -6.618 -7.042 1.00 0.00 C ATOM 897 C LEU A 58 9.862 -6.064 -7.411 1.00 0.00 C ATOM 898 O LEU A 58 9.985 -5.216 -8.295 1.00 0.00 O ATOM 899 CB LEU A 58 7.882 -5.829 -5.882 1.00 0.00 C ATOM 900 CG LEU A 58 6.365 -5.648 -5.955 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.659 -6.754 -5.186 1.00 0.00 C ATOM 902 CD2 LEU A 58 5.964 -4.282 -5.419 1.00 0.00 C ATOM 0 H LEU A 58 8.610 -8.183 -5.678 1.00 0.00 H new ATOM 0 HA LEU A 58 7.806 -6.533 -7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.128 -6.334 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.349 -4.845 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 58 6.060 -5.708 -7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.580 -6.609 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.921 -7.721 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.969 -6.726 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.881 -4.171 -5.479 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.281 -4.191 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.442 -3.503 -6.013 1.00 0.00 H new ATOM 914 N VAL A 59 10.905 -6.607 -6.758 1.00 0.00 N ATOM 915 CA VAL A 59 12.273 -6.213 -7.069 1.00 0.00 C ATOM 916 C VAL A 59 12.525 -6.498 -8.552 1.00 0.00 C ATOM 917 O VAL A 59 13.223 -5.754 -9.240 1.00 0.00 O ATOM 918 CB VAL A 59 13.312 -7.006 -6.229 1.00 0.00 C ATOM 919 CG1 VAL A 59 14.620 -7.125 -6.971 1.00 0.00 C ATOM 920 CG2 VAL A 59 13.529 -6.395 -4.848 1.00 0.00 C ATOM 0 H VAL A 59 10.820 -7.309 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 59 12.388 -5.155 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 59 12.903 -8.005 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 59 15.333 -7.684 -6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.457 -7.648 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.016 -6.130 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.264 -6.985 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 59 13.892 -5.373 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.587 -6.390 -4.300 1.00 0.00 H new ATOM 930 N GLN A 60 11.932 -7.599 -9.019 1.00 0.00 N ATOM 931 CA GLN A 60 12.050 -8.038 -10.402 1.00 0.00 C ATOM 932 C GLN A 60 11.291 -7.111 -11.332 1.00 0.00 C ATOM 933 O GLN A 60 11.590 -7.026 -12.524 1.00 0.00 O ATOM 934 CB GLN A 60 11.509 -9.465 -10.538 1.00 0.00 C ATOM 935 CG GLN A 60 12.583 -10.540 -10.552 1.00 0.00 C ATOM 936 CD GLN A 60 13.668 -10.308 -9.516 1.00 0.00 C ATOM 937 OE1 GLN A 60 14.920 -10.334 -9.955 1.00 0.00 O flip ATOM 938 NE2 GLN A 60 13.383 -10.108 -8.335 1.00 0.00 N flip ATOM 0 H GLN A 60 11.355 -8.211 -8.442 1.00 0.00 H new ATOM 0 HA GLN A 60 13.103 -8.017 -10.682 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.824 -9.662 -9.713 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.928 -9.535 -11.458 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.120 -11.511 -10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.037 -10.580 -11.542 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.406 -10.096 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.124 -9.954 -7.651 1.00 0.00 H new ATOM 947 N ASN A 61 10.295 -6.427 -10.786 1.00 0.00 N ATOM 948 CA ASN A 61 9.478 -5.517 -11.581 1.00 0.00 C ATOM 949 C ASN A 61 10.176 -4.172 -11.831 1.00 0.00 C ATOM 950 O ASN A 61 9.527 -3.188 -12.185 1.00 0.00 O ATOM 951 CB ASN A 61 8.133 -5.310 -10.889 1.00 0.00 C ATOM 952 CG ASN A 61 7.290 -6.578 -10.874 1.00 0.00 C ATOM 953 OD1 ASN A 61 7.941 -7.747 -10.854 1.00 0.00 O flip ATOM 954 ND2 ASN A 61 6.062 -6.511 -10.881 1.00 0.00 N flip ATOM 0 H ASN A 61 10.033 -6.483 -9.802 1.00 0.00 H new ATOM 0 HA ASN A 61 9.322 -5.971 -12.560 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.301 -4.976 -9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.584 -4.517 -11.397 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.601 -5.601 -10.896 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.505 -7.365 -10.871 1.00 0.00 H new ATOM 961 N VAL A 62 11.501 -4.149 -11.658 1.00 0.00 N ATOM 962 CA VAL A 62 12.326 -2.952 -11.875 1.00 0.00 C ATOM 963 C VAL A 62 11.834 -1.713 -11.117 1.00 0.00 C ATOM 964 O VAL A 62 12.412 -0.637 -11.265 1.00 0.00 O ATOM 965 CB VAL A 62 12.457 -2.612 -13.378 1.00 0.00 C ATOM 966 CG1 VAL A 62 13.031 -3.795 -14.144 1.00 0.00 C ATOM 967 CG2 VAL A 62 11.121 -2.190 -13.970 1.00 0.00 C ATOM 0 H VAL A 62 12.037 -4.965 -11.362 1.00 0.00 H new ATOM 0 HA VAL A 62 13.304 -3.214 -11.470 1.00 0.00 H new ATOM 0 HB VAL A 62 13.143 -1.770 -13.471 1.00 0.00 H new ATOM 0 HG11 VAL A 62 13.116 -3.538 -15.200 1.00 0.00 H new ATOM 0 HG12 VAL A 62 14.017 -4.040 -13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 62 12.371 -4.656 -14.032 1.00 0.00 H new ATOM 0 HG21 VAL A 62 11.249 -1.958 -15.027 1.00 0.00 H new ATOM 0 HG22 VAL A 62 10.402 -3.002 -13.861 1.00 0.00 H new ATOM 0 HG23 VAL A 62 10.754 -1.307 -13.447 1.00 0.00 H new ATOM 977 N LYS A 63 10.790 -1.866 -10.300 1.00 0.00 N ATOM 978 CA LYS A 63 10.240 -0.756 -9.509 1.00 0.00 C ATOM 979 C LYS A 63 10.336 0.575 -10.243 1.00 0.00 C ATOM 980 O LYS A 63 10.588 1.619 -9.642 1.00 0.00 O ATOM 981 CB LYS A 63 10.961 -0.672 -8.166 1.00 0.00 C ATOM 982 CG LYS A 63 12.327 0.002 -8.227 1.00 0.00 C ATOM 983 CD LYS A 63 12.338 1.316 -7.462 1.00 0.00 C ATOM 984 CE LYS A 63 13.687 1.567 -6.807 1.00 0.00 C ATOM 985 NZ LYS A 63 13.773 2.931 -6.216 1.00 0.00 N ATOM 0 H LYS A 63 10.304 -2.753 -10.166 1.00 0.00 H new ATOM 0 HA LYS A 63 9.181 -0.958 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.331 -0.127 -7.463 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.084 -1.680 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.082 -0.667 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.597 0.184 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.104 2.136 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.559 1.301 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.857 0.823 -6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.478 1.441 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.463 2.929 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.076 3.607 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.840 3.211 -5.851 1.00 0.00 H new ATOM 999 N ASP A 64 10.147 0.517 -11.544 1.00 0.00 N ATOM 1000 CA ASP A 64 10.225 1.706 -12.388 1.00 0.00 C ATOM 1001 C ASP A 64 8.848 2.153 -12.875 1.00 0.00 C ATOM 1002 O ASP A 64 8.700 2.587 -14.018 1.00 0.00 O ATOM 1003 CB ASP A 64 11.133 1.436 -13.587 1.00 0.00 C ATOM 1004 CG ASP A 64 12.585 1.766 -13.303 1.00 0.00 C ATOM 1005 OD1 ASP A 64 12.914 2.968 -13.207 1.00 0.00 O ATOM 1006 OD2 ASP A 64 13.395 0.823 -13.178 1.00 0.00 O ATOM 0 H ASP A 64 9.937 -0.344 -12.049 1.00 0.00 H new ATOM 0 HA ASP A 64 10.641 2.511 -11.782 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.051 0.387 -13.871 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.790 2.024 -14.438 1.00 0.00 H new ATOM 1011 N LYS A 65 7.839 2.052 -12.016 1.00 0.00 N ATOM 1012 CA LYS A 65 6.487 2.457 -12.393 1.00 0.00 C ATOM 1013 C LYS A 65 5.588 2.721 -11.207 1.00 0.00 C ATOM 1014 O LYS A 65 5.024 3.803 -11.066 1.00 0.00 O ATOM 1015 CB LYS A 65 5.803 1.393 -13.276 1.00 0.00 C ATOM 1016 CG LYS A 65 6.125 -0.052 -12.929 1.00 0.00 C ATOM 1017 CD LYS A 65 7.538 -0.434 -13.330 1.00 0.00 C ATOM 1018 CE LYS A 65 7.601 -1.854 -13.868 1.00 0.00 C ATOM 1019 NZ LYS A 65 6.918 -2.821 -12.966 1.00 0.00 N ATOM 0 H LYS A 65 7.928 1.697 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 65 6.619 3.387 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.724 1.532 -13.212 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.086 1.571 -14.314 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.999 -0.204 -11.857 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.416 -0.711 -13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.902 0.260 -14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.199 -0.341 -12.469 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.139 -1.889 -14.854 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.643 -2.149 -13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.167 -3.791 -13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.221 -2.654 -11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.888 -2.694 -13.037 1.00 0.00 H new ATOM 1033 N ASP A 66 5.377 1.689 -10.431 1.00 0.00 N ATOM 1034 CA ASP A 66 4.412 1.726 -9.346 1.00 0.00 C ATOM 1035 C ASP A 66 4.860 2.381 -8.063 1.00 0.00 C ATOM 1036 O ASP A 66 5.755 1.918 -7.375 1.00 0.00 O ATOM 1037 CB ASP A 66 4.009 0.292 -9.024 1.00 0.00 C ATOM 1038 CG ASP A 66 5.124 -0.500 -8.362 1.00 0.00 C ATOM 1039 OD1 ASP A 66 6.224 -0.578 -8.949 1.00 0.00 O ATOM 1040 OD2 ASP A 66 4.895 -1.040 -7.260 1.00 0.00 O ATOM 0 H ASP A 66 5.865 0.798 -10.527 1.00 0.00 H new ATOM 0 HA ASP A 66 3.597 2.349 -9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.139 0.303 -8.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.709 -0.211 -9.943 1.00 0.00 H new ATOM 1045 N THR A 67 4.109 3.419 -7.714 1.00 0.00 N ATOM 1046 CA THR A 67 4.285 4.126 -6.466 1.00 0.00 C ATOM 1047 C THR A 67 3.185 3.605 -5.565 1.00 0.00 C ATOM 1048 O THR A 67 2.034 3.524 -5.992 1.00 0.00 O ATOM 1049 CB THR A 67 4.159 5.644 -6.661 1.00 0.00 C ATOM 1050 OG1 THR A 67 2.836 6.082 -6.399 1.00 0.00 O ATOM 1051 CG2 THR A 67 4.520 6.107 -8.058 1.00 0.00 C ATOM 0 H THR A 67 3.359 3.790 -8.297 1.00 0.00 H new ATOM 0 HA THR A 67 5.276 3.961 -6.044 1.00 0.00 H new ATOM 0 HB THR A 67 4.868 6.077 -5.955 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.739 7.016 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.408 7.189 -8.123 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.553 5.835 -8.276 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.859 5.630 -8.782 1.00 0.00 H new ATOM 1059 N LEU A 68 3.518 3.186 -4.362 1.00 0.00 N ATOM 1060 CA LEU A 68 2.498 2.609 -3.507 1.00 0.00 C ATOM 1061 C LEU A 68 2.497 3.184 -2.101 1.00 0.00 C ATOM 1062 O LEU A 68 3.544 3.408 -1.505 1.00 0.00 O ATOM 1063 CB LEU A 68 2.670 1.076 -3.511 1.00 0.00 C ATOM 1064 CG LEU A 68 2.896 0.379 -2.162 1.00 0.00 C ATOM 1065 CD1 LEU A 68 4.152 0.891 -1.471 1.00 0.00 C ATOM 1066 CD2 LEU A 68 1.677 0.539 -1.274 1.00 0.00 C ATOM 0 H LEU A 68 4.455 3.230 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 68 1.519 2.871 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.782 0.640 -3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.513 0.835 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 68 3.045 -0.684 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.280 0.375 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.018 0.703 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.058 1.962 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.853 0.039 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.491 1.599 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.810 0.094 -1.762 1.00 0.00 H new ATOM 1078 N VAL A 69 1.293 3.374 -1.570 1.00 0.00 N ATOM 1079 CA VAL A 69 1.126 3.868 -0.215 1.00 0.00 C ATOM 1080 C VAL A 69 0.575 2.730 0.634 1.00 0.00 C ATOM 1081 O VAL A 69 -0.468 2.160 0.317 1.00 0.00 O ATOM 1082 CB VAL A 69 0.186 5.093 -0.160 1.00 0.00 C ATOM 1083 CG1 VAL A 69 -1.036 4.871 -1.034 1.00 0.00 C ATOM 1084 CG2 VAL A 69 -0.220 5.405 1.275 1.00 0.00 C ATOM 0 H VAL A 69 0.419 3.192 -2.062 1.00 0.00 H new ATOM 0 HA VAL A 69 2.091 4.200 0.169 1.00 0.00 H new ATOM 0 HB VAL A 69 0.729 5.955 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.685 5.745 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.722 4.714 -2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.580 3.994 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.881 6.271 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.739 4.547 1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.670 5.621 1.866 1.00 0.00 H new ATOM 1094 N PHE A 70 1.303 2.367 1.680 1.00 0.00 N ATOM 1095 CA PHE A 70 0.901 1.246 2.528 1.00 0.00 C ATOM 1096 C PHE A 70 0.378 1.685 3.888 1.00 0.00 C ATOM 1097 O PHE A 70 0.510 2.845 4.275 1.00 0.00 O ATOM 1098 CB PHE A 70 2.087 0.298 2.724 1.00 0.00 C ATOM 1099 CG PHE A 70 3.214 0.894 3.521 1.00 0.00 C ATOM 1100 CD1 PHE A 70 4.065 1.828 2.952 1.00 0.00 C ATOM 1101 CD2 PHE A 70 3.422 0.522 4.839 1.00 0.00 C ATOM 1102 CE1 PHE A 70 5.101 2.378 3.680 1.00 0.00 C ATOM 1103 CE2 PHE A 70 4.457 1.070 5.574 1.00 0.00 C ATOM 1104 CZ PHE A 70 5.298 1.999 4.992 1.00 0.00 C ATOM 0 H PHE A 70 2.169 2.826 1.963 1.00 0.00 H new ATOM 0 HA PHE A 70 0.082 0.740 2.016 1.00 0.00 H new ATOM 0 HB2 PHE A 70 1.739 -0.606 3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.465 -0.003 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.916 2.130 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 70 2.768 -0.205 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.757 3.104 3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.608 0.772 6.601 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.108 2.428 5.563 1.00 0.00 H new ATOM 1114 N HIS A 71 -0.204 0.711 4.600 1.00 0.00 N ATOM 1115 CA HIS A 71 -0.765 0.893 5.951 1.00 0.00 C ATOM 1116 C HIS A 71 -2.185 0.324 6.028 1.00 0.00 C ATOM 1117 O HIS A 71 -2.363 -0.853 6.341 1.00 0.00 O ATOM 1118 CB HIS A 71 -0.745 2.362 6.403 1.00 0.00 C ATOM 1119 CG HIS A 71 -1.202 2.550 7.815 1.00 0.00 C ATOM 1120 ND1 HIS A 71 -1.501 3.782 8.358 1.00 0.00 N ATOM 1121 CD2 HIS A 71 -1.400 1.647 8.804 1.00 0.00 C ATOM 1122 CE1 HIS A 71 -1.861 3.628 9.620 1.00 0.00 C ATOM 1123 NE2 HIS A 71 -1.811 2.342 9.915 1.00 0.00 N ATOM 0 H HIS A 71 -0.301 -0.242 4.250 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.124 0.340 6.638 1.00 0.00 H new ATOM 0 HB2 HIS A 71 0.267 2.753 6.300 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.382 2.948 5.741 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -1.452 4.672 7.863 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.261 0.578 8.733 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -2.148 4.420 10.296 1.00 0.00 H new ATOM 1132 N SER A 72 -3.187 1.164 5.743 1.00 0.00 N ATOM 1133 CA SER A 72 -4.599 0.761 5.770 1.00 0.00 C ATOM 1134 C SER A 72 -5.247 1.136 7.095 1.00 0.00 C ATOM 1135 O SER A 72 -4.892 0.602 8.145 1.00 0.00 O ATOM 1136 CB SER A 72 -4.765 -0.742 5.516 1.00 0.00 C ATOM 1137 OG SER A 72 -6.077 -1.041 5.067 1.00 0.00 O ATOM 0 H SER A 72 -3.043 2.141 5.487 1.00 0.00 H new ATOM 0 HA SER A 72 -5.100 1.299 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.039 -1.071 4.773 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.556 -1.294 6.432 1.00 0.00 H new ATOM 0 HG SER A 72 -6.157 -2.005 4.910 1.00 0.00 H new ATOM 1143 N ALA A 73 -6.202 2.063 7.034 1.00 0.00 N ATOM 1144 CA ALA A 73 -6.913 2.526 8.223 1.00 0.00 C ATOM 1145 C ALA A 73 -5.941 2.832 9.362 1.00 0.00 C ATOM 1146 O ALA A 73 -5.430 3.947 9.469 1.00 0.00 O ATOM 1147 CB ALA A 73 -7.950 1.494 8.648 1.00 0.00 C ATOM 0 H ALA A 73 -6.502 2.510 6.168 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.430 3.454 7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.474 1.849 9.535 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.666 1.343 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.453 0.550 8.874 1.00 0.00 H new ATOM 1153 N LEU A 74 -5.678 1.836 10.200 1.00 0.00 N ATOM 1154 CA LEU A 74 -4.765 1.986 11.313 1.00 0.00 C ATOM 1155 C LEU A 74 -4.436 0.611 11.858 1.00 0.00 C ATOM 1156 O LEU A 74 -4.953 0.213 12.900 1.00 0.00 O ATOM 1157 CB LEU A 74 -5.377 2.869 12.406 1.00 0.00 C ATOM 1158 CG LEU A 74 -4.697 4.226 12.599 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -5.465 5.069 13.604 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -3.256 4.040 13.051 1.00 0.00 C ATOM 0 H LEU A 74 -6.093 0.907 10.123 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.852 2.474 10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.428 3.037 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.345 2.326 13.351 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.694 4.749 11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.967 6.030 13.729 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.481 5.231 13.243 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.499 4.551 14.563 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.787 5.015 13.183 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.238 3.498 13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.709 3.474 12.298 1.00 0.00 H new ATOM 1172 N SER A 75 -3.599 -0.126 11.129 1.00 0.00 N ATOM 1173 CA SER A 75 -3.225 -1.475 11.535 1.00 0.00 C ATOM 1174 C SER A 75 -2.525 -1.462 12.891 1.00 0.00 C ATOM 1175 O SER A 75 -1.365 -1.845 12.997 1.00 0.00 O ATOM 1176 CB SER A 75 -2.313 -2.110 10.485 1.00 0.00 C ATOM 1177 OG SER A 75 -2.945 -2.151 9.218 1.00 0.00 O ATOM 0 H SER A 75 -3.170 0.189 10.259 1.00 0.00 H new ATOM 0 HA SER A 75 -4.136 -2.067 11.623 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.385 -1.542 10.414 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.046 -3.120 10.794 1.00 0.00 H new ATOM 0 HG SER A 75 -2.449 -1.589 8.587 1.00 0.00 H new ATOM 1183 N GLN A 76 -3.238 -1.006 13.919 1.00 0.00 N ATOM 1184 CA GLN A 76 -2.687 -0.923 15.275 1.00 0.00 C ATOM 1185 C GLN A 76 -1.259 -0.388 15.240 1.00 0.00 C ATOM 1186 O GLN A 76 -0.336 -1.008 15.767 1.00 0.00 O ATOM 1187 CB GLN A 76 -2.736 -2.283 15.993 1.00 0.00 C ATOM 1188 CG GLN A 76 -2.765 -3.493 15.070 1.00 0.00 C ATOM 1189 CD GLN A 76 -4.111 -3.680 14.397 1.00 0.00 C ATOM 1190 OE1 GLN A 76 -4.099 -3.829 13.077 1.00 0.00 O flip ATOM 1191 NE2 GLN A 76 -5.150 -3.696 15.057 1.00 0.00 N flip ATOM 0 H GLN A 76 -4.203 -0.686 13.840 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.309 -0.229 15.841 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.868 -2.364 16.647 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.619 -2.309 16.631 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.994 -3.383 14.308 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.521 -4.388 15.642 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.113 -3.578 16.069 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.048 -3.828 14.591 1.00 0.00 H new ATOM 1200 N VAL A 77 -1.098 0.762 14.590 1.00 0.00 N ATOM 1201 CA VAL A 77 0.204 1.414 14.442 1.00 0.00 C ATOM 1202 C VAL A 77 1.264 0.455 13.894 1.00 0.00 C ATOM 1203 O VAL A 77 2.461 0.718 13.997 1.00 0.00 O ATOM 1204 CB VAL A 77 0.700 2.029 15.771 1.00 0.00 C ATOM 1205 CG1 VAL A 77 -0.325 3.007 16.322 1.00 0.00 C ATOM 1206 CG2 VAL A 77 1.013 0.949 16.798 1.00 0.00 C ATOM 0 H VAL A 77 -1.866 1.270 14.150 1.00 0.00 H new ATOM 0 HA VAL A 77 0.056 2.219 13.722 1.00 0.00 H new ATOM 0 HB VAL A 77 1.623 2.571 15.564 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.042 3.430 17.257 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.488 3.808 15.601 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.265 2.485 16.503 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.359 1.414 17.721 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.114 0.367 17.000 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.791 0.292 16.409 1.00 0.00 H new ATOM 1216 N ARG A 78 0.813 -0.651 13.308 1.00 0.00 N ATOM 1217 CA ARG A 78 1.710 -1.646 12.730 1.00 0.00 C ATOM 1218 C ARG A 78 2.223 -1.204 11.367 1.00 0.00 C ATOM 1219 O ARG A 78 3.280 -1.650 10.936 1.00 0.00 O ATOM 1220 CB ARG A 78 1.013 -3.003 12.622 1.00 0.00 C ATOM 1221 CG ARG A 78 1.974 -4.179 12.610 1.00 0.00 C ATOM 1222 CD ARG A 78 1.384 -5.382 11.891 1.00 0.00 C ATOM 1223 NE ARG A 78 1.007 -6.450 12.817 1.00 0.00 N ATOM 1224 CZ ARG A 78 1.873 -7.113 13.583 1.00 0.00 C ATOM 1225 NH1 ARG A 78 3.163 -6.804 13.560 1.00 0.00 N ATOM 1226 NH2 ARG A 78 1.445 -8.085 14.377 1.00 0.00 N ATOM 0 H ARG A 78 -0.177 -0.881 13.221 1.00 0.00 H new ATOM 0 HA ARG A 78 2.567 -1.745 13.396 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.324 -3.116 13.459 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.415 -3.024 11.711 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.903 -3.884 12.123 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.224 -4.454 13.634 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.508 -5.070 11.323 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.109 -5.765 11.173 1.00 0.00 H new ATOM 0 HE ARG A 78 0.021 -6.703 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.497 -6.055 12.954 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.820 -7.315 14.149 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.454 -8.325 14.401 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.107 -8.593 14.964 1.00 0.00 H new ATOM 1240 N GLY A 79 1.463 -0.341 10.687 1.00 0.00 N ATOM 1241 CA GLY A 79 1.867 0.139 9.368 1.00 0.00 C ATOM 1242 C GLY A 79 3.379 0.193 9.213 1.00 0.00 C ATOM 1243 O GLY A 79 3.940 -0.435 8.315 1.00 0.00 O ATOM 0 H GLY A 79 0.577 0.034 11.025 1.00 0.00 H new ATOM 0 HA2 GLY A 79 1.448 -0.514 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.451 1.133 9.202 1.00 0.00 H new ATOM 1247 N PRO A 80 4.066 0.924 10.110 1.00 0.00 N ATOM 1248 CA PRO A 80 5.525 1.031 10.087 1.00 0.00 C ATOM 1249 C PRO A 80 6.171 -0.345 10.122 1.00 0.00 C ATOM 1250 O PRO A 80 7.135 -0.608 9.403 1.00 0.00 O ATOM 1251 CB PRO A 80 5.853 1.813 11.362 1.00 0.00 C ATOM 1252 CG PRO A 80 4.604 2.558 11.683 1.00 0.00 C ATOM 1253 CD PRO A 80 3.474 1.678 11.227 1.00 0.00 C ATOM 0 HA PRO A 80 5.896 1.515 9.184 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.135 1.144 12.175 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.690 2.493 11.205 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.534 2.762 12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.581 3.521 11.172 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.132 1.017 12.023 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.612 2.263 10.906 1.00 0.00 H new ATOM 1261 N THR A 81 5.614 -1.236 10.944 1.00 0.00 N ATOM 1262 CA THR A 81 6.125 -2.596 11.039 1.00 0.00 C ATOM 1263 C THR A 81 5.993 -3.282 9.685 1.00 0.00 C ATOM 1264 O THR A 81 6.870 -4.040 9.274 1.00 0.00 O ATOM 1265 CB THR A 81 5.367 -3.387 12.109 1.00 0.00 C ATOM 1266 OG1 THR A 81 4.565 -2.526 12.897 1.00 0.00 O ATOM 1267 CG2 THR A 81 6.277 -4.148 13.048 1.00 0.00 C ATOM 0 H THR A 81 4.816 -1.039 11.547 1.00 0.00 H new ATOM 0 HA THR A 81 7.176 -2.559 11.327 1.00 0.00 H new ATOM 0 HB THR A 81 4.757 -4.103 11.558 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.346 -2.967 13.744 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.676 -4.686 13.781 1.00 0.00 H new ATOM 0 HG22 THR A 81 6.876 -4.858 12.478 1.00 0.00 H new ATOM 0 HG23 THR A 81 6.936 -3.449 13.563 1.00 0.00 H new ATOM 1275 N CYS A 82 4.896 -2.985 8.986 1.00 0.00 N ATOM 1276 CA CYS A 82 4.656 -3.550 7.663 1.00 0.00 C ATOM 1277 C CYS A 82 5.795 -3.158 6.735 1.00 0.00 C ATOM 1278 O CYS A 82 6.362 -3.996 6.036 1.00 0.00 O ATOM 1279 CB CYS A 82 3.323 -3.056 7.099 1.00 0.00 C ATOM 1280 SG CYS A 82 1.946 -3.152 8.267 1.00 0.00 S ATOM 0 H CYS A 82 4.163 -2.357 9.316 1.00 0.00 H new ATOM 0 HA CYS A 82 4.609 -4.636 7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 82 3.439 -2.022 6.775 1.00 0.00 H new ATOM 0 HB3 CYS A 82 3.076 -3.642 6.214 1.00 0.00 H new ATOM 0 HG CYS A 82 1.633 -4.398 8.467 1.00 0.00 H new ATOM 1286 N ALA A 83 6.148 -1.874 6.766 1.00 0.00 N ATOM 1287 CA ALA A 83 7.249 -1.387 5.953 1.00 0.00 C ATOM 1288 C ALA A 83 8.513 -2.114 6.369 1.00 0.00 C ATOM 1289 O ALA A 83 9.363 -2.436 5.538 1.00 0.00 O ATOM 1290 CB ALA A 83 7.410 0.120 6.100 1.00 0.00 C ATOM 0 H ALA A 83 5.692 -1.164 7.339 1.00 0.00 H new ATOM 0 HA ALA A 83 7.044 -1.585 4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.241 0.459 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.494 0.617 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.611 0.364 7.143 1.00 0.00 H new ATOM 1296 N ARG A 84 8.602 -2.420 7.662 1.00 0.00 N ATOM 1297 CA ARG A 84 9.729 -3.167 8.189 1.00 0.00 C ATOM 1298 C ARG A 84 9.783 -4.513 7.483 1.00 0.00 C ATOM 1299 O ARG A 84 10.855 -5.046 7.206 1.00 0.00 O ATOM 1300 CB ARG A 84 9.607 -3.352 9.704 1.00 0.00 C ATOM 1301 CG ARG A 84 10.710 -2.658 10.488 1.00 0.00 C ATOM 1302 CD ARG A 84 10.419 -2.644 11.980 1.00 0.00 C ATOM 1303 NE ARG A 84 11.550 -3.139 12.761 1.00 0.00 N ATOM 1304 CZ ARG A 84 11.738 -4.420 13.074 1.00 0.00 C ATOM 1305 NH1 ARG A 84 10.875 -5.346 12.671 1.00 0.00 N ATOM 1306 NH2 ARG A 84 12.796 -4.777 13.788 1.00 0.00 N ATOM 0 H ARG A 84 7.905 -2.160 8.359 1.00 0.00 H new ATOM 0 HA ARG A 84 10.651 -2.615 8.007 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.641 -2.968 10.033 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.622 -4.417 9.935 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.658 -3.164 10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.822 -1.635 10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.179 -1.628 12.293 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.541 -3.257 12.184 1.00 0.00 H new ATOM 0 HE ARG A 84 12.239 -2.461 13.087 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.061 -5.078 12.118 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.026 -6.325 12.915 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.465 -4.071 14.097 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.942 -5.757 14.029 1.00 0.00 H new ATOM 1320 N ARG A 85 8.605 -5.043 7.157 1.00 0.00 N ATOM 1321 CA ARG A 85 8.521 -6.303 6.443 1.00 0.00 C ATOM 1322 C ARG A 85 9.195 -6.138 5.089 1.00 0.00 C ATOM 1323 O ARG A 85 9.956 -6.989 4.641 1.00 0.00 O ATOM 1324 CB ARG A 85 7.066 -6.741 6.272 1.00 0.00 C ATOM 1325 CG ARG A 85 6.258 -6.669 7.557 1.00 0.00 C ATOM 1326 CD ARG A 85 6.305 -7.982 8.319 1.00 0.00 C ATOM 1327 NE ARG A 85 5.557 -7.917 9.573 1.00 0.00 N ATOM 1328 CZ ARG A 85 4.235 -7.781 9.644 1.00 0.00 C ATOM 1329 NH1 ARG A 85 3.505 -7.699 8.538 1.00 0.00 N ATOM 1330 NH2 ARG A 85 3.639 -7.728 10.828 1.00 0.00 N ATOM 0 H ARG A 85 7.704 -4.618 7.377 1.00 0.00 H new ATOM 0 HA ARG A 85 9.028 -7.080 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.592 -6.113 5.518 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.044 -7.763 5.895 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.645 -5.868 8.187 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.223 -6.420 7.324 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.897 -8.777 7.695 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.343 -8.242 8.529 1.00 0.00 H new ATOM 0 HE ARG A 85 6.080 -7.980 10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.957 -7.740 7.624 1.00 0.00 H new ATOM 0 HH12 ARG A 85 2.492 -7.595 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.194 -7.791 11.682 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.626 -7.624 10.885 1.00 0.00 H new ATOM 1344 N LEU A 86 8.953 -4.987 4.462 1.00 0.00 N ATOM 1345 CA LEU A 86 9.603 -4.709 3.195 1.00 0.00 C ATOM 1346 C LEU A 86 11.103 -4.781 3.443 1.00 0.00 C ATOM 1347 O LEU A 86 11.874 -5.250 2.606 1.00 0.00 O ATOM 1348 CB LEU A 86 9.201 -3.331 2.660 1.00 0.00 C ATOM 1349 CG LEU A 86 8.301 -3.358 1.422 1.00 0.00 C ATOM 1350 CD1 LEU A 86 6.906 -3.838 1.789 1.00 0.00 C ATOM 1351 CD2 LEU A 86 8.240 -1.983 0.775 1.00 0.00 C ATOM 0 H LEU A 86 8.330 -4.255 4.803 1.00 0.00 H new ATOM 0 HA LEU A 86 9.301 -5.435 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.688 -2.785 3.452 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.106 -2.772 2.421 1.00 0.00 H new ATOM 0 HG LEU A 86 8.727 -4.057 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.279 -3.851 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.965 -4.843 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.472 -3.164 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.596 -2.022 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.838 -1.263 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.242 -1.677 0.476 1.00 0.00 H new ATOM 1363 N VAL A 87 11.486 -4.351 4.646 1.00 0.00 N ATOM 1364 CA VAL A 87 12.867 -4.395 5.084 1.00 0.00 C ATOM 1365 C VAL A 87 13.339 -5.838 5.232 1.00 0.00 C ATOM 1366 O VAL A 87 14.500 -6.130 4.979 1.00 0.00 O ATOM 1367 CB VAL A 87 13.092 -3.645 6.412 1.00 0.00 C ATOM 1368 CG1 VAL A 87 14.577 -3.563 6.728 1.00 0.00 C ATOM 1369 CG2 VAL A 87 12.479 -2.255 6.352 1.00 0.00 C ATOM 0 H VAL A 87 10.843 -3.965 5.337 1.00 0.00 H new ATOM 0 HA VAL A 87 13.451 -3.891 4.314 1.00 0.00 H new ATOM 0 HB VAL A 87 12.599 -4.200 7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 87 14.720 -3.031 7.668 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.987 -4.569 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.090 -3.030 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.648 -1.742 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.941 -1.688 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.407 -2.337 6.171 1.00 0.00 H new ATOM 1379 N ASN A 88 12.450 -6.746 5.672 1.00 0.00 N ATOM 1380 CA ASN A 88 12.852 -8.143 5.850 1.00 0.00 C ATOM 1381 C ASN A 88 13.362 -8.721 4.544 1.00 0.00 C ATOM 1382 O ASN A 88 14.376 -9.420 4.535 1.00 0.00 O ATOM 1383 CB ASN A 88 11.740 -9.030 6.462 1.00 0.00 C ATOM 1384 CG ASN A 88 10.462 -9.168 5.634 1.00 0.00 C ATOM 1385 OD1 ASN A 88 10.548 -9.746 4.438 1.00 0.00 O flip ATOM 1386 ND2 ASN A 88 9.387 -8.790 6.089 1.00 0.00 N flip ATOM 0 H ASN A 88 11.478 -6.542 5.904 1.00 0.00 H new ATOM 0 HA ASN A 88 13.664 -8.143 6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.149 -10.026 6.631 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.475 -8.624 7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.349 -8.350 7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 88 8.532 -8.916 5.548 1.00 0.00 H new ATOM 1393 N TYR A 89 12.705 -8.405 3.428 1.00 0.00 N ATOM 1394 CA TYR A 89 13.210 -8.906 2.151 1.00 0.00 C ATOM 1395 C TYR A 89 14.442 -8.099 1.770 1.00 0.00 C ATOM 1396 O TYR A 89 15.416 -8.629 1.237 1.00 0.00 O ATOM 1397 CB TYR A 89 12.163 -8.863 1.033 1.00 0.00 C ATOM 1398 CG TYR A 89 12.420 -9.890 -0.060 1.00 0.00 C ATOM 1399 CD1 TYR A 89 13.679 -10.457 -0.230 1.00 0.00 C ATOM 1400 CD2 TYR A 89 11.412 -10.291 -0.925 1.00 0.00 C ATOM 1401 CE1 TYR A 89 13.921 -11.391 -1.216 1.00 0.00 C ATOM 1402 CE2 TYR A 89 11.646 -11.230 -1.917 1.00 0.00 C ATOM 1403 CZ TYR A 89 12.904 -11.779 -2.054 1.00 0.00 C ATOM 1404 OH TYR A 89 13.146 -12.716 -3.035 1.00 0.00 O ATOM 0 H TYR A 89 11.862 -7.833 3.379 1.00 0.00 H new ATOM 0 HA TYR A 89 13.466 -9.958 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 89 11.175 -9.035 1.461 1.00 0.00 H new ATOM 0 HB3 TYR A 89 12.151 -7.866 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 89 14.485 -10.159 0.425 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.426 -9.863 -0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 89 14.907 -11.816 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.848 -11.530 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 89 12.323 -12.880 -3.541 1.00 0.00 H new ATOM 1414 N LEU A 90 14.412 -6.812 2.099 1.00 0.00 N ATOM 1415 CA LEU A 90 15.543 -5.932 1.846 1.00 0.00 C ATOM 1416 C LEU A 90 16.786 -6.535 2.496 1.00 0.00 C ATOM 1417 O LEU A 90 17.891 -6.470 1.962 1.00 0.00 O ATOM 1418 CB LEU A 90 15.249 -4.541 2.433 1.00 0.00 C ATOM 1419 CG LEU A 90 16.352 -3.486 2.289 1.00 0.00 C ATOM 1420 CD1 LEU A 90 17.534 -3.809 3.189 1.00 0.00 C ATOM 1421 CD2 LEU A 90 16.798 -3.362 0.845 1.00 0.00 C ATOM 0 H LEU A 90 13.614 -6.356 2.542 1.00 0.00 H new ATOM 0 HA LEU A 90 15.711 -5.828 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 90 14.346 -4.156 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 90 15.027 -4.659 3.494 1.00 0.00 H new ATOM 0 HG LEU A 90 15.939 -2.527 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 90 18.303 -3.046 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 90 17.205 -3.831 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.943 -4.782 2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.581 -2.607 0.770 1.00 0.00 H new ATOM 0 HD22 LEU A 90 17.184 -4.321 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 90 15.950 -3.068 0.226 1.00 0.00 H new ATOM 1433 N ASP A 91 16.562 -7.136 3.660 1.00 0.00 N ATOM 1434 CA ASP A 91 17.604 -7.789 4.434 1.00 0.00 C ATOM 1435 C ASP A 91 18.068 -9.075 3.757 1.00 0.00 C ATOM 1436 O ASP A 91 19.214 -9.494 3.915 1.00 0.00 O ATOM 1437 CB ASP A 91 17.079 -8.101 5.840 1.00 0.00 C ATOM 1438 CG ASP A 91 18.195 -8.381 6.828 1.00 0.00 C ATOM 1439 OD1 ASP A 91 19.234 -7.693 6.759 1.00 0.00 O ATOM 1440 OD2 ASP A 91 18.029 -9.289 7.669 1.00 0.00 O ATOM 0 H ASP A 91 15.640 -7.182 4.095 1.00 0.00 H new ATOM 0 HA ASP A 91 18.458 -7.114 4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.484 -7.260 6.197 1.00 0.00 H new ATOM 0 HB3 ASP A 91 16.415 -8.964 5.793 1.00 0.00 H new ATOM 1445 N GLU A 92 17.152 -9.717 3.035 1.00 0.00 N ATOM 1446 CA GLU A 92 17.452 -10.983 2.369 1.00 0.00 C ATOM 1447 C GLU A 92 18.147 -10.806 1.016 1.00 0.00 C ATOM 1448 O GLU A 92 19.319 -11.152 0.866 1.00 0.00 O ATOM 1449 CB GLU A 92 16.166 -11.792 2.185 1.00 0.00 C ATOM 1450 CG GLU A 92 16.405 -13.280 1.988 1.00 0.00 C ATOM 1451 CD GLU A 92 17.259 -13.883 3.087 1.00 0.00 C ATOM 1452 OE1 GLU A 92 16.966 -13.630 4.274 1.00 0.00 O ATOM 1453 OE2 GLU A 92 18.221 -14.610 2.759 1.00 0.00 O ATOM 0 H GLU A 92 16.198 -9.383 2.896 1.00 0.00 H new ATOM 0 HA GLU A 92 18.149 -11.517 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.528 -11.647 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.622 -11.403 1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.446 -13.797 1.953 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.890 -13.442 1.025 1.00 0.00 H new ATOM 1460 N LYS A 93 17.414 -10.308 0.023 1.00 0.00 N ATOM 1461 CA LYS A 93 17.965 -10.143 -1.323 1.00 0.00 C ATOM 1462 C LYS A 93 18.662 -8.798 -1.522 1.00 0.00 C ATOM 1463 O LYS A 93 19.125 -8.500 -2.623 1.00 0.00 O ATOM 1464 CB LYS A 93 16.856 -10.303 -2.366 1.00 0.00 C ATOM 1465 CG LYS A 93 16.790 -11.694 -2.974 1.00 0.00 C ATOM 1466 CD LYS A 93 17.517 -11.754 -4.307 1.00 0.00 C ATOM 1467 CE LYS A 93 18.939 -12.273 -4.147 1.00 0.00 C ATOM 1468 NZ LYS A 93 19.947 -11.287 -4.627 1.00 0.00 N ATOM 0 H LYS A 93 16.443 -10.013 0.122 1.00 0.00 H new ATOM 0 HA LYS A 93 18.720 -10.919 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.897 -10.072 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.009 -9.574 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.231 -12.415 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.748 -11.982 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.968 -12.400 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.540 -10.760 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.126 -12.502 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.050 -13.205 -4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.902 -11.678 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.785 -11.087 -5.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.859 -10.406 -4.081 1.00 0.00 H new ATOM 1482 N LYS A 94 18.742 -7.988 -0.473 1.00 0.00 N ATOM 1483 CA LYS A 94 19.390 -6.683 -0.582 1.00 0.00 C ATOM 1484 C LYS A 94 18.632 -5.791 -1.562 1.00 0.00 C ATOM 1485 O LYS A 94 18.257 -6.229 -2.649 1.00 0.00 O ATOM 1486 CB LYS A 94 20.844 -6.844 -1.035 1.00 0.00 C ATOM 1487 CG LYS A 94 21.842 -6.116 -0.148 1.00 0.00 C ATOM 1488 CD LYS A 94 22.701 -7.088 0.645 1.00 0.00 C ATOM 1489 CE LYS A 94 23.468 -6.380 1.750 1.00 0.00 C ATOM 1490 NZ LYS A 94 22.575 -5.964 2.866 1.00 0.00 N ATOM 0 H LYS A 94 18.372 -8.206 0.452 1.00 0.00 H new ATOM 0 HA LYS A 94 19.379 -6.212 0.401 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.094 -7.905 -1.055 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.941 -6.475 -2.056 1.00 0.00 H new ATOM 0 HG2 LYS A 94 22.482 -5.483 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.308 -5.459 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.069 -7.863 1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.402 -7.586 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 94 24.245 -7.041 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.969 -5.503 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.151 -5.672 3.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.982 -5.167 2.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.967 -6.762 3.140 1.00 0.00 H new ATOM 1504 N GLU A 95 18.414 -4.541 -1.169 1.00 0.00 N ATOM 1505 CA GLU A 95 17.696 -3.577 -2.005 1.00 0.00 C ATOM 1506 C GLU A 95 16.371 -4.151 -2.499 1.00 0.00 C ATOM 1507 O GLU A 95 16.343 -5.073 -3.313 1.00 0.00 O ATOM 1508 CB GLU A 95 18.556 -3.158 -3.195 1.00 0.00 C ATOM 1509 CG GLU A 95 17.881 -2.148 -4.108 1.00 0.00 C ATOM 1510 CD GLU A 95 18.830 -1.567 -5.138 1.00 0.00 C ATOM 1511 OE1 GLU A 95 20.058 -1.638 -4.921 1.00 0.00 O ATOM 1512 OE2 GLU A 95 18.344 -1.041 -6.162 1.00 0.00 O ATOM 0 H GLU A 95 18.725 -4.167 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 95 17.482 -2.701 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 95 19.490 -2.734 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 95 18.815 -4.044 -3.775 1.00 0.00 H new ATOM 0 HG2 GLU A 95 17.046 -2.627 -4.619 1.00 0.00 H new ATOM 0 HG3 GLU A 95 17.466 -1.340 -3.506 1.00 0.00 H new ATOM 1519 N ASP A 96 15.272 -3.595 -2.006 1.00 0.00 N ATOM 1520 CA ASP A 96 13.947 -4.058 -2.404 1.00 0.00 C ATOM 1521 C ASP A 96 13.177 -2.978 -3.162 1.00 0.00 C ATOM 1522 O ASP A 96 13.082 -3.024 -4.388 1.00 0.00 O ATOM 1523 CB ASP A 96 13.142 -4.535 -1.187 1.00 0.00 C ATOM 1524 CG ASP A 96 13.155 -3.550 -0.032 1.00 0.00 C ATOM 1525 OD1 ASP A 96 14.074 -2.706 0.021 1.00 0.00 O ATOM 1526 OD2 ASP A 96 12.241 -3.618 0.814 1.00 0.00 O ATOM 0 H ASP A 96 15.270 -2.828 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 96 14.089 -4.903 -3.078 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.111 -4.714 -1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.544 -5.489 -0.846 1.00 0.00 H new ATOM 1531 N THR A 97 12.628 -2.010 -2.433 1.00 0.00 N ATOM 1532 CA THR A 97 11.865 -0.928 -3.043 1.00 0.00 C ATOM 1533 C THR A 97 10.589 -1.459 -3.693 1.00 0.00 C ATOM 1534 O THR A 97 9.490 -1.236 -3.189 1.00 0.00 O ATOM 1535 CB THR A 97 12.714 -0.184 -4.074 1.00 0.00 C ATOM 1536 OG1 THR A 97 14.089 -0.480 -3.902 1.00 0.00 O ATOM 1537 CG2 THR A 97 12.554 1.319 -3.998 1.00 0.00 C ATOM 0 H THR A 97 12.698 -1.954 -1.417 1.00 0.00 H new ATOM 0 HA THR A 97 11.584 -0.230 -2.255 1.00 0.00 H new ATOM 0 HB THR A 97 12.359 -0.526 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.618 0.334 -4.034 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.182 1.790 -4.754 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.511 1.583 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 97 12.854 1.667 -3.010 1.00 0.00 H new ATOM 1545 N GLY A 98 10.740 -2.159 -4.814 1.00 0.00 N ATOM 1546 CA GLY A 98 9.585 -2.702 -5.508 1.00 0.00 C ATOM 1547 C GLY A 98 8.770 -1.624 -6.196 1.00 0.00 C ATOM 1548 O GLY A 98 8.591 -1.651 -7.411 1.00 0.00 O ATOM 0 H GLY A 98 11.639 -2.360 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 98 9.917 -3.431 -6.247 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.953 -3.234 -4.797 1.00 0.00 H new ATOM 1552 N ILE A 99 8.274 -0.675 -5.412 1.00 0.00 N ATOM 1553 CA ILE A 99 7.476 0.425 -5.941 1.00 0.00 C ATOM 1554 C ILE A 99 8.342 1.603 -6.341 1.00 0.00 C ATOM 1555 O ILE A 99 9.293 1.950 -5.640 1.00 0.00 O ATOM 1556 CB ILE A 99 6.427 0.935 -4.930 1.00 0.00 C ATOM 1557 CG1 ILE A 99 7.070 1.820 -3.851 1.00 0.00 C ATOM 1558 CG2 ILE A 99 5.683 -0.218 -4.305 1.00 0.00 C ATOM 1559 CD1 ILE A 99 8.186 1.152 -3.079 1.00 0.00 C ATOM 0 H ILE A 99 8.411 -0.645 -4.402 1.00 0.00 H new ATOM 0 HA ILE A 99 6.968 0.016 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 99 5.711 1.549 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.460 2.722 -4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.298 2.136 -3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.949 0.164 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.174 -0.787 -5.083 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.388 -0.866 -3.784 1.00 0.00 H new ATOM 0 HD11 ILE A 99 8.583 1.847 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.800 0.266 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.980 0.861 -3.766 1.00 0.00 H new ATOM 1571 N LYS A 100 7.993 2.242 -7.449 1.00 0.00 N ATOM 1572 CA LYS A 100 8.731 3.414 -7.896 1.00 0.00 C ATOM 1573 C LYS A 100 8.931 4.379 -6.721 1.00 0.00 C ATOM 1574 O LYS A 100 10.004 4.962 -6.560 1.00 0.00 O ATOM 1575 CB LYS A 100 7.989 4.113 -9.037 1.00 0.00 C ATOM 1576 CG LYS A 100 8.681 5.376 -9.531 1.00 0.00 C ATOM 1577 CD LYS A 100 8.962 5.317 -11.027 1.00 0.00 C ATOM 1578 CE LYS A 100 8.356 6.505 -11.758 1.00 0.00 C ATOM 1579 NZ LYS A 100 6.885 6.357 -11.932 1.00 0.00 N ATOM 0 H LYS A 100 7.213 1.973 -8.048 1.00 0.00 H new ATOM 0 HA LYS A 100 9.706 3.096 -8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.883 3.418 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.983 4.367 -8.703 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.057 6.242 -9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.617 5.513 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 100 10.039 5.297 -11.195 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.558 4.392 -11.437 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.566 7.419 -11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 100 8.829 6.610 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 6.648 6.414 -12.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.582 5.436 -11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 6.396 7.118 -11.419 1.00 0.00 H new ATOM 1593 N ASN A 101 7.890 4.523 -5.894 1.00 0.00 N ATOM 1594 CA ASN A 101 7.956 5.396 -4.721 1.00 0.00 C ATOM 1595 C ASN A 101 6.981 4.956 -3.616 1.00 0.00 C ATOM 1596 O ASN A 101 5.775 4.853 -3.842 1.00 0.00 O ATOM 1597 CB ASN A 101 7.655 6.841 -5.127 1.00 0.00 C ATOM 1598 CG ASN A 101 8.546 7.841 -4.415 1.00 0.00 C ATOM 1599 OD1 ASN A 101 8.310 8.183 -3.256 1.00 0.00 O ATOM 1600 ND2 ASN A 101 9.576 8.317 -5.106 1.00 0.00 N ATOM 0 H ASN A 101 6.996 4.048 -6.016 1.00 0.00 H new ATOM 0 HA ASN A 101 8.967 5.325 -4.319 1.00 0.00 H new ATOM 0 HB2 ASN A 101 7.784 6.947 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 101 6.612 7.067 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 101 10.208 8.993 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 101 9.734 8.006 -6.064 1.00 0.00 H new ATOM 1607 N ILE A 102 7.518 4.716 -2.416 1.00 0.00 N ATOM 1608 CA ILE A 102 6.720 4.307 -1.256 1.00 0.00 C ATOM 1609 C ILE A 102 6.148 5.532 -0.523 1.00 0.00 C ATOM 1610 O ILE A 102 6.841 6.529 -0.326 1.00 0.00 O ATOM 1611 CB ILE A 102 7.556 3.431 -0.279 1.00 0.00 C ATOM 1612 CG1 ILE A 102 7.103 1.965 -0.361 1.00 0.00 C ATOM 1613 CG2 ILE A 102 7.474 3.941 1.159 1.00 0.00 C ATOM 1614 CD1 ILE A 102 6.096 1.563 0.696 1.00 0.00 C ATOM 0 H ILE A 102 8.516 4.799 -2.221 1.00 0.00 H new ATOM 0 HA ILE A 102 5.888 3.706 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 102 8.600 3.498 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.670 1.785 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.978 1.321 -0.275 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.072 3.300 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.855 4.961 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.436 3.926 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.831 0.514 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.530 1.707 1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.202 2.178 0.599 1.00 0.00 H new ATOM 1626 N MET A 103 4.875 5.446 -0.142 1.00 0.00 N ATOM 1627 CA MET A 103 4.195 6.538 0.552 1.00 0.00 C ATOM 1628 C MET A 103 3.305 6.010 1.679 1.00 0.00 C ATOM 1629 O MET A 103 3.099 4.806 1.812 1.00 0.00 O ATOM 1630 CB MET A 103 3.355 7.348 -0.437 1.00 0.00 C ATOM 1631 CG MET A 103 4.100 8.519 -1.052 1.00 0.00 C ATOM 1632 SD MET A 103 4.774 8.134 -2.679 1.00 0.00 S ATOM 1633 CE MET A 103 3.285 7.678 -3.565 1.00 0.00 C ATOM 0 H MET A 103 4.290 4.626 -0.304 1.00 0.00 H new ATOM 0 HA MET A 103 4.957 7.182 0.992 1.00 0.00 H new ATOM 0 HB2 MET A 103 3.011 6.688 -1.234 1.00 0.00 H new ATOM 0 HB3 MET A 103 2.467 7.721 0.074 1.00 0.00 H new ATOM 0 HG2 MET A 103 3.425 9.371 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 103 4.911 8.818 -0.388 1.00 0.00 H new ATOM 0 HE1 MET A 103 3.379 7.973 -4.610 1.00 0.00 H new ATOM 0 HE2 MET A 103 3.141 6.599 -3.504 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.428 8.184 -3.120 1.00 0.00 H new ATOM 1643 N ILE A 104 2.784 6.928 2.492 1.00 0.00 N ATOM 1644 CA ILE A 104 1.916 6.565 3.608 1.00 0.00 C ATOM 1645 C ILE A 104 0.556 7.252 3.486 1.00 0.00 C ATOM 1646 O ILE A 104 0.452 8.359 2.958 1.00 0.00 O ATOM 1647 CB ILE A 104 2.554 6.934 4.965 1.00 0.00 C ATOM 1648 CG1 ILE A 104 3.866 6.171 5.156 1.00 0.00 C ATOM 1649 CG2 ILE A 104 1.592 6.641 6.111 1.00 0.00 C ATOM 1650 CD1 ILE A 104 3.680 4.679 5.324 1.00 0.00 C ATOM 0 H ILE A 104 2.949 7.930 2.397 1.00 0.00 H new ATOM 0 HA ILE A 104 1.780 5.484 3.568 1.00 0.00 H new ATOM 0 HB ILE A 104 2.768 8.003 4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.511 6.354 4.297 1.00 0.00 H new ATOM 0 HG13 ILE A 104 4.382 6.565 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.062 6.908 7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 104 0.681 7.225 5.980 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.344 5.580 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.652 4.204 5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.061 4.486 6.200 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.193 4.271 4.438 1.00 0.00 H new ATOM 1662 N LEU A 105 -0.483 6.583 3.978 1.00 0.00 N ATOM 1663 CA LEU A 105 -1.838 7.122 3.926 1.00 0.00 C ATOM 1664 C LEU A 105 -2.258 7.680 5.281 1.00 0.00 C ATOM 1665 O LEU A 105 -1.988 7.080 6.321 1.00 0.00 O ATOM 1666 CB LEU A 105 -2.829 6.044 3.475 1.00 0.00 C ATOM 1667 CG LEU A 105 -2.844 4.771 4.327 1.00 0.00 C ATOM 1668 CD1 LEU A 105 -3.680 4.973 5.583 1.00 0.00 C ATOM 1669 CD2 LEU A 105 -3.367 3.594 3.516 1.00 0.00 C ATOM 0 H LEU A 105 -0.412 5.665 4.418 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.845 7.936 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.831 6.473 3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.599 5.770 2.446 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.821 4.550 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.677 4.057 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.259 5.787 6.174 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.704 5.221 5.303 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.371 2.698 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.382 3.807 3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.723 3.434 2.651 1.00 0.00 H new ATOM 1681 N GLU A 106 -2.918 8.832 5.259 1.00 0.00 N ATOM 1682 CA GLU A 106 -3.376 9.474 6.485 1.00 0.00 C ATOM 1683 C GLU A 106 -4.755 8.958 6.891 1.00 0.00 C ATOM 1684 O GLU A 106 -5.095 8.937 8.074 1.00 0.00 O ATOM 1685 CB GLU A 106 -3.413 10.996 6.312 1.00 0.00 C ATOM 1686 CG GLU A 106 -4.258 11.462 5.137 1.00 0.00 C ATOM 1687 CD GLU A 106 -5.689 11.767 5.534 1.00 0.00 C ATOM 1688 OE1 GLU A 106 -6.109 11.333 6.628 1.00 0.00 O ATOM 1689 OE2 GLU A 106 -6.392 12.439 4.750 1.00 0.00 O ATOM 0 H GLU A 106 -3.148 9.341 4.405 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.670 9.226 7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.800 11.446 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.395 11.362 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.808 12.354 4.701 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -4.255 10.693 4.364 1.00 0.00 H new ATOM 1696 N ARG A 107 -5.543 8.539 5.906 1.00 0.00 N ATOM 1697 CA ARG A 107 -6.881 8.020 6.166 1.00 0.00 C ATOM 1698 C ARG A 107 -6.921 6.508 5.989 1.00 0.00 C ATOM 1699 O ARG A 107 -7.224 5.771 6.927 1.00 0.00 O ATOM 1700 CB ARG A 107 -7.900 8.678 5.235 1.00 0.00 C ATOM 1701 CG ARG A 107 -9.334 8.251 5.504 1.00 0.00 C ATOM 1702 CD ARG A 107 -10.145 9.370 6.141 1.00 0.00 C ATOM 1703 NE ARG A 107 -10.449 9.097 7.543 1.00 0.00 N ATOM 1704 CZ ARG A 107 -10.966 9.996 8.379 1.00 0.00 C ATOM 1705 NH1 ARG A 107 -11.236 11.225 7.956 1.00 0.00 N ATOM 1706 NH2 ARG A 107 -11.211 9.665 9.639 1.00 0.00 N ATOM 0 H ARG A 107 -5.278 8.549 4.921 1.00 0.00 H new ATOM 0 HA ARG A 107 -7.138 8.256 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -7.827 9.761 5.337 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -7.645 8.437 4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.805 7.947 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -9.337 7.380 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -9.592 10.306 6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.075 9.504 5.588 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.254 8.163 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.048 11.484 6.988 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.632 11.910 8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.004 8.722 9.968 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.607 10.353 10.279 1.00 0.00 H new ATOM 1720 N GLY A 108 -6.605 6.050 4.784 1.00 0.00 N ATOM 1721 CA GLY A 108 -6.605 4.628 4.511 1.00 0.00 C ATOM 1722 C GLY A 108 -7.993 4.078 4.239 1.00 0.00 C ATOM 1723 O GLY A 108 -8.497 4.174 3.120 1.00 0.00 O ATOM 0 H GLY A 108 -6.349 6.639 3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.966 4.428 3.651 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -6.171 4.100 5.360 1.00 0.00 H new ATOM 1727 N PHE A 109 -8.606 3.482 5.259 1.00 0.00 N ATOM 1728 CA PHE A 109 -9.938 2.894 5.110 1.00 0.00 C ATOM 1729 C PHE A 109 -10.700 2.808 6.443 1.00 0.00 C ATOM 1730 O PHE A 109 -11.811 2.287 6.486 1.00 0.00 O ATOM 1731 CB PHE A 109 -9.809 1.497 4.497 1.00 0.00 C ATOM 1732 CG PHE A 109 -11.123 0.819 4.226 1.00 0.00 C ATOM 1733 CD1 PHE A 109 -11.990 1.313 3.266 1.00 0.00 C ATOM 1734 CD2 PHE A 109 -11.485 -0.320 4.929 1.00 0.00 C ATOM 1735 CE1 PHE A 109 -13.196 0.685 3.013 1.00 0.00 C ATOM 1736 CE2 PHE A 109 -12.689 -0.952 4.680 1.00 0.00 C ATOM 1737 CZ PHE A 109 -13.546 -0.448 3.721 1.00 0.00 C ATOM 0 H PHE A 109 -8.206 3.393 6.193 1.00 0.00 H new ATOM 0 HA PHE A 109 -10.513 3.548 4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -9.252 1.572 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -9.222 0.871 5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -11.722 2.198 2.709 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -10.819 -0.718 5.680 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -13.864 1.080 2.262 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -12.959 -1.839 5.234 1.00 0.00 H new ATOM 0 HZ PHE A 109 -14.488 -0.939 3.525 1.00 0.00 H new ATOM 1747 N ASN A 110 -10.108 3.320 7.524 1.00 0.00 N ATOM 1748 CA ASN A 110 -10.752 3.285 8.834 1.00 0.00 C ATOM 1749 C ASN A 110 -11.999 4.156 8.835 1.00 0.00 C ATOM 1750 O ASN A 110 -13.069 3.728 9.266 1.00 0.00 O ATOM 1751 CB ASN A 110 -9.781 3.759 9.918 1.00 0.00 C ATOM 1752 CG ASN A 110 -9.886 2.934 11.187 1.00 0.00 C ATOM 1753 OD1 ASN A 110 -10.598 1.931 11.231 1.00 0.00 O ATOM 1754 ND2 ASN A 110 -9.173 3.352 12.226 1.00 0.00 N ATOM 0 H ASN A 110 -9.188 3.761 7.516 1.00 0.00 H new ATOM 0 HA ASN A 110 -11.042 2.256 9.048 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.761 3.707 9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.981 4.805 10.150 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.202 2.836 13.105 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -8.596 4.189 12.145 1.00 0.00 H new ATOM 1761 N GLY A 111 -11.853 5.373 8.334 1.00 0.00 N ATOM 1762 CA GLY A 111 -12.964 6.287 8.262 1.00 0.00 C ATOM 1763 C GLY A 111 -14.020 5.795 7.302 1.00 0.00 C ATOM 1764 O GLY A 111 -15.203 6.065 7.481 1.00 0.00 O ATOM 0 H GLY A 111 -10.974 5.743 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -13.400 6.411 9.253 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -12.610 7.268 7.945 1.00 0.00 H new ATOM 1768 N TRP A 112 -13.588 5.078 6.268 1.00 0.00 N ATOM 1769 CA TRP A 112 -14.519 4.562 5.280 1.00 0.00 C ATOM 1770 C TRP A 112 -15.446 3.522 5.894 1.00 0.00 C ATOM 1771 O TRP A 112 -16.655 3.639 5.798 1.00 0.00 O ATOM 1772 CB TRP A 112 -13.761 3.945 4.110 1.00 0.00 C ATOM 1773 CG TRP A 112 -14.664 3.554 2.989 1.00 0.00 C ATOM 1774 CD1 TRP A 112 -15.718 2.692 3.056 1.00 0.00 C ATOM 1775 CD2 TRP A 112 -14.601 4.016 1.640 1.00 0.00 C ATOM 1776 NE1 TRP A 112 -16.323 2.592 1.833 1.00 0.00 N ATOM 1777 CE2 TRP A 112 -15.651 3.393 0.938 1.00 0.00 C ATOM 1778 CE3 TRP A 112 -13.758 4.896 0.957 1.00 0.00 C ATOM 1779 CZ2 TRP A 112 -15.876 3.629 -0.418 1.00 0.00 C ATOM 1780 CZ3 TRP A 112 -13.982 5.127 -0.385 1.00 0.00 C ATOM 1781 CH2 TRP A 112 -15.033 4.496 -1.060 1.00 0.00 C ATOM 0 H TRP A 112 -12.610 4.845 6.097 1.00 0.00 H new ATOM 0 HA TRP A 112 -15.122 5.396 4.920 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -13.020 4.657 3.745 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -13.216 3.067 4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -16.030 2.165 3.945 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -17.139 2.018 1.619 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -12.945 5.387 1.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -16.686 3.145 -0.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -13.336 5.805 -0.923 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -15.182 4.697 -2.110 1.00 0.00 H new ATOM 1792 N GLU A 113 -14.895 2.513 6.547 1.00 0.00 N ATOM 1793 CA GLU A 113 -15.742 1.503 7.172 1.00 0.00 C ATOM 1794 C GLU A 113 -16.532 2.124 8.322 1.00 0.00 C ATOM 1795 O GLU A 113 -17.738 1.918 8.450 1.00 0.00 O ATOM 1796 CB GLU A 113 -14.931 0.300 7.687 1.00 0.00 C ATOM 1797 CG GLU A 113 -13.424 0.456 7.585 1.00 0.00 C ATOM 1798 CD GLU A 113 -12.674 -0.728 8.161 1.00 0.00 C ATOM 1799 OE1 GLU A 113 -13.278 -1.489 8.946 1.00 0.00 O ATOM 1800 OE2 GLU A 113 -11.481 -0.895 7.827 1.00 0.00 O ATOM 0 H GLU A 113 -13.891 2.369 6.659 1.00 0.00 H new ATOM 0 HA GLU A 113 -16.426 1.135 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -15.194 0.123 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -15.229 -0.587 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.146 0.583 6.539 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.120 1.363 8.108 1.00 0.00 H new ATOM 1807 N ALA A 114 -15.825 2.871 9.161 1.00 0.00 N ATOM 1808 CA ALA A 114 -16.420 3.521 10.323 1.00 0.00 C ATOM 1809 C ALA A 114 -17.413 4.629 9.965 1.00 0.00 C ATOM 1810 O ALA A 114 -18.512 4.679 10.517 1.00 0.00 O ATOM 1811 CB ALA A 114 -15.322 4.088 11.208 1.00 0.00 C ATOM 0 H ALA A 114 -14.825 3.043 9.056 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.987 2.754 10.851 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.768 4.573 12.076 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -14.669 3.281 11.540 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.740 4.817 10.644 1.00 0.00 H new ATOM 1817 N SER A 115 -17.015 5.549 9.084 1.00 0.00 N ATOM 1818 CA SER A 115 -17.890 6.675 8.732 1.00 0.00 C ATOM 1819 C SER A 115 -18.384 6.650 7.283 1.00 0.00 C ATOM 1820 O SER A 115 -19.563 6.892 7.025 1.00 0.00 O ATOM 1821 CB SER A 115 -17.164 7.995 8.996 1.00 0.00 C ATOM 1822 OG SER A 115 -17.071 8.257 10.386 1.00 0.00 O ATOM 0 H SER A 115 -16.113 5.541 8.609 1.00 0.00 H new ATOM 0 HA SER A 115 -18.774 6.580 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 115 -16.165 7.957 8.562 1.00 0.00 H new ATOM 0 HB3 SER A 115 -17.694 8.810 8.504 1.00 0.00 H new ATOM 0 HG SER A 115 -16.601 9.105 10.528 1.00 0.00 H new ATOM 1828 N GLY A 116 -17.489 6.377 6.341 1.00 0.00 N ATOM 1829 CA GLY A 116 -17.877 6.355 4.938 1.00 0.00 C ATOM 1830 C GLY A 116 -18.171 4.957 4.455 1.00 0.00 C ATOM 1831 O GLY A 116 -17.790 4.577 3.349 1.00 0.00 O ATOM 0 H GLY A 116 -16.506 6.171 6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -18.758 6.981 4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -17.079 6.787 4.334 1.00 0.00 H new ATOM 1835 N LYS A 117 -18.826 4.185 5.319 1.00 0.00 N ATOM 1836 CA LYS A 117 -19.167 2.789 5.041 1.00 0.00 C ATOM 1837 C LYS A 117 -19.276 2.475 3.549 1.00 0.00 C ATOM 1838 O LYS A 117 -18.580 1.592 3.062 1.00 0.00 O ATOM 1839 CB LYS A 117 -20.472 2.400 5.731 1.00 0.00 C ATOM 1840 CG LYS A 117 -20.981 1.036 5.297 1.00 0.00 C ATOM 1841 CD LYS A 117 -22.084 0.527 6.212 1.00 0.00 C ATOM 1842 CE LYS A 117 -23.447 1.049 5.790 1.00 0.00 C ATOM 1843 NZ LYS A 117 -23.951 2.098 6.718 1.00 0.00 N ATOM 0 H LYS A 117 -19.137 4.509 6.235 1.00 0.00 H new ATOM 0 HA LYS A 117 -18.340 2.201 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -20.321 2.400 6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -21.231 3.152 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -21.355 1.096 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -20.155 0.325 5.293 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -22.092 -0.563 6.201 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -21.878 0.834 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -23.383 1.457 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -24.157 0.223 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -24.883 2.428 6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -24.036 1.702 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -23.286 2.898 6.732 1.00 0.00 H new ATOM 1857 N PRO A 118 -20.159 3.182 2.815 1.00 0.00 N ATOM 1858 CA PRO A 118 -20.389 2.986 1.389 1.00 0.00 C ATOM 1859 C PRO A 118 -19.251 2.282 0.647 1.00 0.00 C ATOM 1860 O PRO A 118 -18.532 2.896 -0.138 1.00 0.00 O ATOM 1861 CB PRO A 118 -20.565 4.425 0.925 1.00 0.00 C ATOM 1862 CG PRO A 118 -21.272 5.101 2.067 1.00 0.00 C ATOM 1863 CD PRO A 118 -21.033 4.256 3.308 1.00 0.00 C ATOM 0 HA PRO A 118 -21.230 2.323 1.187 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.604 4.896 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -21.151 4.478 0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.891 6.112 2.211 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -22.339 5.189 1.861 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.557 4.831 4.102 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -21.965 3.863 3.714 1.00 0.00 H new ATOM 1871 N VAL A 119 -19.125 0.977 0.889 1.00 0.00 N ATOM 1872 CA VAL A 119 -18.109 0.148 0.241 1.00 0.00 C ATOM 1873 C VAL A 119 -18.806 -0.840 -0.697 1.00 0.00 C ATOM 1874 O VAL A 119 -19.946 -1.229 -0.449 1.00 0.00 O ATOM 1875 CB VAL A 119 -17.180 -0.585 1.262 1.00 0.00 C ATOM 1876 CG1 VAL A 119 -17.885 -0.890 2.580 1.00 0.00 C ATOM 1877 CG2 VAL A 119 -16.592 -1.857 0.663 1.00 0.00 C ATOM 0 H VAL A 119 -19.723 0.466 1.538 1.00 0.00 H new ATOM 0 HA VAL A 119 -17.449 0.799 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 119 -16.364 0.103 1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -17.195 -1.399 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -18.218 0.041 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -18.747 -1.530 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -15.951 -2.343 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -17.399 -2.534 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -16.005 -1.606 -0.220 1.00 0.00 H new ATOM 1887 N CYS A 120 -18.150 -1.208 -1.799 1.00 0.00 N ATOM 1888 CA CYS A 120 -18.765 -2.108 -2.778 1.00 0.00 C ATOM 1889 C CYS A 120 -19.235 -3.413 -2.137 1.00 0.00 C ATOM 1890 O CYS A 120 -18.505 -4.394 -2.088 1.00 0.00 O ATOM 1891 CB CYS A 120 -17.791 -2.371 -3.940 1.00 0.00 C ATOM 1892 SG CYS A 120 -17.998 -3.956 -4.796 1.00 0.00 S ATOM 0 H CYS A 120 -17.206 -0.902 -2.035 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.654 -1.618 -3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -17.899 -1.568 -4.669 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -16.773 -2.317 -3.555 1.00 0.00 H new ATOM 0 HG CYS A 120 -18.324 -4.874 -3.936 1.00 0.00 H new ATOM 1897 N ARG A 121 -20.474 -3.425 -1.664 1.00 0.00 N ATOM 1898 CA ARG A 121 -21.035 -4.621 -1.048 1.00 0.00 C ATOM 1899 C ARG A 121 -20.969 -5.799 -2.018 1.00 0.00 C ATOM 1900 O ARG A 121 -20.416 -6.851 -1.697 1.00 0.00 O ATOM 1901 CB ARG A 121 -22.482 -4.365 -0.622 1.00 0.00 C ATOM 1902 CG ARG A 121 -22.645 -3.122 0.238 1.00 0.00 C ATOM 1903 CD ARG A 121 -23.893 -2.337 -0.137 1.00 0.00 C ATOM 1904 NE ARG A 121 -23.572 -1.003 -0.639 1.00 0.00 N ATOM 1905 CZ ARG A 121 -24.411 -0.260 -1.359 1.00 0.00 C ATOM 1906 NH1 ARG A 121 -25.620 -0.717 -1.660 1.00 0.00 N ATOM 1907 NH2 ARG A 121 -24.040 0.942 -1.777 1.00 0.00 N ATOM 0 H ARG A 121 -21.107 -2.626 -1.694 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.447 -4.867 -0.163 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -23.103 -4.267 -1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -22.850 -5.230 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.698 -3.410 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.767 -2.485 0.127 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -24.451 -2.885 -0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.542 -2.250 0.735 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.652 -0.618 -0.426 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -25.910 -1.641 -1.340 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -26.259 -0.144 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.112 1.298 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.682 1.511 -2.328 1.00 0.00 H new ATOM 1921 N CYS A 122 -21.526 -5.597 -3.211 1.00 0.00 N ATOM 1922 CA CYS A 122 -21.535 -6.618 -4.263 1.00 0.00 C ATOM 1923 C CYS A 122 -21.717 -8.028 -3.707 1.00 0.00 C ATOM 1924 O CYS A 122 -22.350 -8.234 -2.672 1.00 0.00 O ATOM 1925 CB CYS A 122 -20.242 -6.553 -5.085 1.00 0.00 C ATOM 1926 SG CYS A 122 -18.765 -7.146 -4.219 1.00 0.00 S ATOM 0 H CYS A 122 -21.983 -4.725 -3.477 1.00 0.00 H new ATOM 0 HA CYS A 122 -22.391 -6.401 -4.903 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -20.375 -7.141 -5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -20.076 -5.521 -5.395 1.00 0.00 H new ATOM 0 HG CYS A 122 -18.989 -7.159 -2.938 1.00 0.00 H new ATOM 1931 N ALA A 123 -21.144 -8.987 -4.422 1.00 0.00 N ATOM 1932 CA ALA A 123 -21.211 -10.394 -4.047 1.00 0.00 C ATOM 1933 C ALA A 123 -20.594 -11.266 -5.136 1.00 0.00 C ATOM 1934 O ALA A 123 -21.104 -12.343 -5.447 1.00 0.00 O ATOM 1935 CB ALA A 123 -22.653 -10.808 -3.791 1.00 0.00 C ATOM 0 H ALA A 123 -20.619 -8.812 -5.279 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.642 -10.533 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -22.685 -11.861 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -23.066 -10.206 -2.982 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -23.242 -10.654 -4.695 1.00 0.00 H new ATOM 1941 N GLU A 124 -19.497 -10.789 -5.717 1.00 0.00 N ATOM 1942 CA GLU A 124 -18.813 -11.520 -6.778 1.00 0.00 C ATOM 1943 C GLU A 124 -17.302 -11.475 -6.586 1.00 0.00 C ATOM 1944 O GLU A 124 -16.791 -10.717 -5.762 1.00 0.00 O ATOM 1945 CB GLU A 124 -19.181 -10.953 -8.153 1.00 0.00 C ATOM 1946 CG GLU A 124 -20.505 -10.202 -8.179 1.00 0.00 C ATOM 1947 CD GLU A 124 -21.692 -11.110 -7.924 1.00 0.00 C ATOM 1948 OE1 GLU A 124 -21.792 -12.158 -8.594 1.00 0.00 O ATOM 1949 OE2 GLU A 124 -22.521 -10.771 -7.053 1.00 0.00 O ATOM 0 H GLU A 124 -19.063 -9.899 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 124 -19.139 -12.559 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -18.388 -10.282 -8.482 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -19.225 -11.771 -8.872 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -20.487 -9.413 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -20.625 -9.716 -9.147 1.00 0.00 H new ATOM 1956 N VAL A 125 -16.596 -12.298 -7.352 1.00 0.00 N ATOM 1957 CA VAL A 125 -15.143 -12.361 -7.268 1.00 0.00 C ATOM 1958 C VAL A 125 -14.462 -11.186 -7.977 1.00 0.00 C ATOM 1959 O VAL A 125 -13.445 -10.688 -7.494 1.00 0.00 O ATOM 1960 CB VAL A 125 -14.593 -13.691 -7.825 1.00 0.00 C ATOM 1961 CG1 VAL A 125 -15.103 -14.863 -7.000 1.00 0.00 C ATOM 1962 CG2 VAL A 125 -14.959 -13.867 -9.290 1.00 0.00 C ATOM 0 H VAL A 125 -17.007 -12.931 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 125 -14.906 -12.299 -6.206 1.00 0.00 H new ATOM 0 HB VAL A 125 -13.506 -13.663 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -14.706 -15.794 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -14.777 -14.750 -5.966 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -16.192 -14.887 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -14.558 -14.813 -9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -16.044 -13.868 -9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -14.538 -13.047 -9.871 1.00 0.00 H new ATOM 1972 N PRO A 126 -14.989 -10.708 -9.128 1.00 0.00 N ATOM 1973 CA PRO A 126 -14.377 -9.584 -9.844 1.00 0.00 C ATOM 1974 C PRO A 126 -14.307 -8.324 -8.988 1.00 0.00 C ATOM 1975 O PRO A 126 -13.340 -7.566 -9.067 1.00 0.00 O ATOM 1976 CB PRO A 126 -15.300 -9.360 -11.048 1.00 0.00 C ATOM 1977 CG PRO A 126 -16.577 -10.033 -10.688 1.00 0.00 C ATOM 1978 CD PRO A 126 -16.196 -11.197 -9.822 1.00 0.00 C ATOM 0 HA PRO A 126 -13.346 -9.802 -10.124 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -15.454 -8.297 -11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -14.873 -9.785 -11.956 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.242 -9.352 -10.157 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -17.108 -10.366 -11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -16.989 -11.456 -9.120 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -15.989 -12.090 -10.412 1.00 0.00 H new ATOM 1986 N CYS A 127 -15.338 -8.103 -8.171 1.00 0.00 N ATOM 1987 CA CYS A 127 -15.387 -6.925 -7.305 1.00 0.00 C ATOM 1988 C CYS A 127 -15.014 -5.661 -8.093 1.00 0.00 C ATOM 1989 O CYS A 127 -15.408 -5.522 -9.251 1.00 0.00 O ATOM 1990 CB CYS A 127 -14.462 -7.120 -6.101 1.00 0.00 C ATOM 1991 SG CYS A 127 -15.041 -6.315 -4.592 1.00 0.00 S ATOM 0 H CYS A 127 -16.146 -8.721 -8.091 1.00 0.00 H new ATOM 0 HA CYS A 127 -16.405 -6.798 -6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -14.350 -8.187 -5.911 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -13.473 -6.735 -6.349 1.00 0.00 H new ATOM 0 HG CYS A 127 -16.041 -5.534 -4.873 1.00 0.00 H new ATOM 1996 N LYS A 128 -14.260 -4.740 -7.482 1.00 0.00 N ATOM 1997 CA LYS A 128 -13.872 -3.518 -8.181 1.00 0.00 C ATOM 1998 C LYS A 128 -12.473 -3.604 -8.751 1.00 0.00 C ATOM 1999 O LYS A 128 -12.257 -3.288 -9.921 1.00 0.00 O ATOM 2000 CB LYS A 128 -13.930 -2.278 -7.263 1.00 0.00 C ATOM 2001 CG LYS A 128 -15.205 -2.193 -6.438 1.00 0.00 C ATOM 2002 CD LYS A 128 -16.446 -2.324 -7.308 1.00 0.00 C ATOM 2003 CE LYS A 128 -16.490 -1.251 -8.384 1.00 0.00 C ATOM 2004 NZ LYS A 128 -16.212 0.105 -7.831 1.00 0.00 N ATOM 0 H LYS A 128 -13.914 -4.817 -6.525 1.00 0.00 H new ATOM 0 HA LYS A 128 -14.594 -3.413 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -13.072 -2.293 -6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -13.841 -1.379 -7.873 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -15.204 -2.980 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -15.232 -1.242 -5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.462 -3.309 -7.775 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -17.337 -2.252 -6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -15.759 -1.484 -9.158 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -17.471 -1.255 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -16.252 0.807 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -16.924 0.339 -7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -15.266 0.117 -7.399 1.00 0.00 H new ATOM 2018 N GLY A 129 -11.497 -3.912 -7.896 1.00 0.00 N ATOM 2019 CA GLY A 129 -10.128 -3.874 -8.355 1.00 0.00 C ATOM 2020 C GLY A 129 -9.839 -2.432 -8.675 1.00 0.00 C ATOM 2021 O GLY A 129 -8.901 -2.083 -9.393 1.00 0.00 O ATOM 0 H GLY A 129 -11.629 -4.180 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -9.449 -4.248 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.993 -4.504 -9.235 1.00 0.00 H new