USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 744 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 34 ASN : amide:sc= 0.0635 K(o=0.2,f=-2.8!) USER MOD Set 1.2: A 36 SER OG : rot 88:sc= 0.133 USER MOD Set 2.1: A 28 CYS SG : rot 103:sc= 0.0548 USER MOD Set 2.2: A 32 MET CE :methyl 153:sc= -6.91! (180deg=-7.93!) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0507 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.274 K(o=0.27,f=-5.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.000836 K(o=-0.00084,f=-0.59) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 156:sc= -0.486 (180deg=-1.96) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.15) USER MOD Single : A 45 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.0061) USER MOD Single : A 52 SER OG : rot -44:sc= 0.147 USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.0862) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl 161:sc= -0.0365 (180deg=-1.28) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.621 USER MOD Single : A 72 THR OG1 : rot -150:sc= 0.35 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -44:sc= 0.41 USER MOD Single : A 89 GLN : amide:sc= -0.762 K(o=-0.76,f=-1.5) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.587 -9.577 24.095 1.00 0.00 N ATOM 2 CA GLY A 1 20.853 -8.809 23.092 1.00 0.00 C ATOM 3 C GLY A 1 21.628 -7.565 22.736 1.00 0.00 C ATOM 4 O GLY A 1 22.220 -6.954 23.626 1.00 0.00 O ATOM 0 H1 GLY A 1 20.927 -9.918 24.823 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.050 -10.389 23.640 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.307 -8.971 24.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 20.692 -9.416 22.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.869 -8.539 23.475 1.00 0.00 H new ATOM 8 N HIS A 2 21.646 -7.197 21.454 1.00 0.00 N ATOM 9 CA HIS A 2 22.225 -5.960 20.953 1.00 0.00 C ATOM 10 C HIS A 2 21.710 -5.731 19.528 1.00 0.00 C ATOM 11 O HIS A 2 21.523 -6.692 18.776 1.00 0.00 O ATOM 12 CB HIS A 2 23.759 -6.041 20.973 1.00 0.00 C ATOM 13 CG HIS A 2 24.312 -7.276 20.310 1.00 0.00 C ATOM 14 ND1 HIS A 2 24.568 -8.485 20.920 1.00 0.00 N ATOM 15 CD2 HIS A 2 24.561 -7.418 18.973 1.00 0.00 C ATOM 16 CE1 HIS A 2 24.967 -9.333 19.961 1.00 0.00 C ATOM 17 NE2 HIS A 2 25.016 -8.722 18.764 1.00 0.00 N ATOM 0 H HIS A 2 21.243 -7.774 20.716 1.00 0.00 H new ATOM 0 HA HIS A 2 21.932 -5.124 21.588 1.00 0.00 H new ATOM 0 HB2 HIS A 2 24.166 -5.160 20.477 1.00 0.00 H new ATOM 0 HB3 HIS A 2 24.102 -6.011 22.007 1.00 0.00 H new ATOM 0 HD2 HIS A 2 24.430 -6.659 18.216 1.00 0.00 H new ATOM 0 HE1 HIS A 2 25.216 -10.370 20.128 1.00 0.00 H new ATOM 0 HE2 HIS A 2 25.324 -9.129 17.881 1.00 0.00 H new ATOM 25 N ILE A 3 21.496 -4.470 19.156 1.00 0.00 N ATOM 26 CA ILE A 3 21.064 -4.010 17.840 1.00 0.00 C ATOM 27 C ILE A 3 21.585 -2.578 17.656 1.00 0.00 C ATOM 28 O ILE A 3 21.014 -1.640 18.213 1.00 0.00 O ATOM 29 CB ILE A 3 19.518 -4.106 17.675 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.693 -3.637 18.897 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.110 -5.550 17.339 1.00 0.00 C ATOM 32 CD1 ILE A 3 17.193 -3.541 18.600 1.00 0.00 C ATOM 0 H ILE A 3 21.628 -3.696 19.807 1.00 0.00 H new ATOM 0 HA ILE A 3 21.476 -4.651 17.061 1.00 0.00 H new ATOM 0 HB ILE A 3 19.285 -3.417 16.863 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.851 -4.329 19.724 1.00 0.00 H new ATOM 0 HG13 ILE A 3 19.057 -2.663 19.223 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.027 -5.605 17.226 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.588 -5.856 16.408 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.425 -6.214 18.144 1.00 0.00 H new ATOM 0 HD11 ILE A 3 16.666 -3.207 19.494 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.027 -2.827 17.793 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.818 -4.520 18.302 1.00 0.00 H new ATOM 44 N SER A 4 22.689 -2.388 16.932 1.00 0.00 N ATOM 45 CA SER A 4 23.190 -1.060 16.572 1.00 0.00 C ATOM 46 C SER A 4 23.716 -1.066 15.127 1.00 0.00 C ATOM 47 O SER A 4 23.479 -2.035 14.398 1.00 0.00 O ATOM 48 CB SER A 4 24.206 -0.588 17.629 1.00 0.00 C ATOM 49 OG SER A 4 25.287 -1.486 17.830 1.00 0.00 O ATOM 0 H SER A 4 23.263 -3.153 16.577 1.00 0.00 H new ATOM 0 HA SER A 4 22.386 -0.324 16.581 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.603 0.382 17.329 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.688 -0.441 18.577 1.00 0.00 H new ATOM 0 HG SER A 4 25.892 -1.123 18.511 1.00 0.00 H new ATOM 55 N GLY A 5 24.399 0.007 14.701 1.00 0.00 N ATOM 56 CA GLY A 5 25.113 0.055 13.427 1.00 0.00 C ATOM 57 C GLY A 5 24.334 0.784 12.338 1.00 0.00 C ATOM 58 O GLY A 5 24.119 0.233 11.258 1.00 0.00 O ATOM 0 H GLY A 5 24.469 0.871 15.239 1.00 0.00 H new ATOM 0 HA2 GLY A 5 26.073 0.550 13.573 1.00 0.00 H new ATOM 0 HA3 GLY A 5 25.325 -0.962 13.096 1.00 0.00 H new ATOM 62 N ALA A 6 23.905 2.021 12.598 1.00 0.00 N ATOM 63 CA ALA A 6 23.025 2.779 11.710 1.00 0.00 C ATOM 64 C ALA A 6 23.475 4.238 11.610 1.00 0.00 C ATOM 65 O ALA A 6 22.714 5.145 11.956 1.00 0.00 O ATOM 66 CB ALA A 6 21.607 2.672 12.264 1.00 0.00 C ATOM 0 H ALA A 6 24.163 2.530 13.443 1.00 0.00 H new ATOM 0 HA ALA A 6 23.062 2.372 10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 6 20.923 3.228 11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 6 21.306 1.625 12.294 1.00 0.00 H new ATOM 0 HB3 ALA A 6 21.578 3.086 13.272 1.00 0.00 H new ATOM 72 N THR A 7 24.740 4.462 11.251 1.00 0.00 N ATOM 73 CA THR A 7 25.387 5.771 11.228 1.00 0.00 C ATOM 74 C THR A 7 26.804 5.583 10.642 1.00 0.00 C ATOM 75 O THR A 7 27.263 4.449 10.467 1.00 0.00 O ATOM 76 CB THR A 7 25.321 6.401 12.649 1.00 0.00 C ATOM 77 OG1 THR A 7 26.082 7.583 12.758 1.00 0.00 O ATOM 78 CG2 THR A 7 25.734 5.448 13.783 1.00 0.00 C ATOM 0 H THR A 7 25.363 3.709 10.958 1.00 0.00 H new ATOM 0 HA THR A 7 24.881 6.490 10.584 1.00 0.00 H new ATOM 0 HB THR A 7 24.263 6.633 12.772 1.00 0.00 H new ATOM 0 HG1 THR A 7 26.005 7.939 13.668 1.00 0.00 H new ATOM 0 HG21 THR A 7 25.659 5.966 14.739 1.00 0.00 H new ATOM 0 HG22 THR A 7 25.074 4.581 13.788 1.00 0.00 H new ATOM 0 HG23 THR A 7 26.762 5.121 13.627 1.00 0.00 H new ATOM 86 N SER A 8 27.516 6.664 10.323 1.00 0.00 N ATOM 87 CA SER A 8 28.858 6.655 9.741 1.00 0.00 C ATOM 88 C SER A 8 29.722 7.723 10.424 1.00 0.00 C ATOM 89 O SER A 8 29.354 8.221 11.491 1.00 0.00 O ATOM 90 CB SER A 8 28.737 6.835 8.222 1.00 0.00 C ATOM 91 OG SER A 8 28.160 8.089 7.936 1.00 0.00 O ATOM 0 H SER A 8 27.159 7.608 10.469 1.00 0.00 H new ATOM 0 HA SER A 8 29.361 5.703 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 8 29.721 6.762 7.758 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.126 6.038 7.799 1.00 0.00 H new ATOM 0 HG SER A 8 28.086 8.201 6.965 1.00 0.00 H new ATOM 97 N VAL A 9 30.872 8.073 9.849 1.00 0.00 N ATOM 98 CA VAL A 9 31.732 9.167 10.291 1.00 0.00 C ATOM 99 C VAL A 9 31.930 10.102 9.091 1.00 0.00 C ATOM 100 O VAL A 9 33.043 10.531 8.773 1.00 0.00 O ATOM 101 CB VAL A 9 33.053 8.634 10.909 1.00 0.00 C ATOM 102 CG1 VAL A 9 33.637 9.664 11.889 1.00 0.00 C ATOM 103 CG2 VAL A 9 32.905 7.299 11.653 1.00 0.00 C ATOM 0 H VAL A 9 31.242 7.584 9.034 1.00 0.00 H new ATOM 0 HA VAL A 9 31.272 9.735 11.099 1.00 0.00 H new ATOM 0 HB VAL A 9 33.717 8.465 10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 9 34.563 9.277 12.315 1.00 0.00 H new ATOM 0 HG12 VAL A 9 33.842 10.594 11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 9 32.921 9.852 12.689 1.00 0.00 H new ATOM 0 HG21 VAL A 9 33.872 6.997 12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 9 32.193 7.415 12.470 1.00 0.00 H new ATOM 0 HG23 VAL A 9 32.544 6.536 10.963 1.00 0.00 H new ATOM 113 N ASP A 10 30.854 10.367 8.352 1.00 0.00 N ATOM 114 CA ASP A 10 30.863 11.211 7.166 1.00 0.00 C ATOM 115 C ASP A 10 29.442 11.694 6.906 1.00 0.00 C ATOM 116 O ASP A 10 28.492 10.951 7.169 1.00 0.00 O ATOM 117 CB ASP A 10 31.351 10.375 5.985 1.00 0.00 C ATOM 118 CG ASP A 10 31.371 11.200 4.702 1.00 0.00 C ATOM 119 OD1 ASP A 10 32.166 12.169 4.644 1.00 0.00 O ATOM 120 OD2 ASP A 10 30.631 10.872 3.747 1.00 0.00 O ATOM 0 H ASP A 10 29.931 9.990 8.569 1.00 0.00 H new ATOM 0 HA ASP A 10 31.520 12.070 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 10 32.351 9.995 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 10 30.702 9.509 5.855 1.00 0.00 H new ATOM 125 N GLN A 11 29.267 12.907 6.388 1.00 0.00 N ATOM 126 CA GLN A 11 27.970 13.415 5.963 1.00 0.00 C ATOM 127 C GLN A 11 28.170 14.420 4.828 1.00 0.00 C ATOM 128 O GLN A 11 29.209 15.083 4.754 1.00 0.00 O ATOM 129 CB GLN A 11 27.217 14.062 7.144 1.00 0.00 C ATOM 130 CG GLN A 11 28.050 15.076 7.950 1.00 0.00 C ATOM 131 CD GLN A 11 27.196 15.944 8.873 1.00 0.00 C ATOM 132 OE1 GLN A 11 26.341 15.465 9.615 1.00 0.00 O ATOM 133 NE2 GLN A 11 27.359 17.257 8.827 1.00 0.00 N ATOM 0 H GLN A 11 30.030 13.570 6.251 1.00 0.00 H new ATOM 0 HA GLN A 11 27.362 12.585 5.604 1.00 0.00 H new ATOM 0 HB2 GLN A 11 26.328 14.563 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 11 26.875 13.275 7.816 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.790 14.540 8.545 1.00 0.00 H new ATOM 0 HG3 GLN A 11 28.599 15.718 7.261 1.00 0.00 H new ATOM 0 HE21 GLN A 11 28.066 17.662 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 11 26.777 17.864 9.405 1.00 0.00 H new ATOM 142 N ARG A 12 27.149 14.586 3.987 1.00 0.00 N ATOM 143 CA ARG A 12 27.097 15.568 2.908 1.00 0.00 C ATOM 144 C ARG A 12 25.961 16.535 3.166 1.00 0.00 C ATOM 145 O ARG A 12 26.223 17.740 3.236 1.00 0.00 O ATOM 146 CB ARG A 12 26.940 14.898 1.532 1.00 0.00 C ATOM 147 CG ARG A 12 27.958 13.791 1.241 1.00 0.00 C ATOM 148 CD ARG A 12 29.416 14.256 1.333 1.00 0.00 C ATOM 149 NE ARG A 12 30.297 13.090 1.331 1.00 0.00 N ATOM 150 CZ ARG A 12 31.598 13.038 1.619 1.00 0.00 C ATOM 151 NH1 ARG A 12 32.320 14.137 1.821 1.00 0.00 N ATOM 152 NH2 ARG A 12 32.171 11.845 1.701 1.00 0.00 N ATOM 0 H ARG A 12 26.304 14.017 4.042 1.00 0.00 H new ATOM 0 HA ARG A 12 28.042 16.111 2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 12 25.936 14.479 1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 12 27.023 15.662 0.759 1.00 0.00 H new ATOM 0 HG2 ARG A 12 27.802 12.972 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 12 27.775 13.394 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 12 29.655 14.908 0.493 1.00 0.00 H new ATOM 0 HD3 ARG A 12 29.567 14.839 2.242 1.00 0.00 H new ATOM 0 HE ARG A 12 29.861 12.203 1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 12 31.880 15.055 1.757 1.00 0.00 H new ATOM 0 HH12 ARG A 12 33.313 14.062 2.040 1.00 0.00 H new ATOM 0 HH21 ARG A 12 31.618 11.002 1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 12 33.165 11.770 1.920 1.00 0.00 H new ATOM 166 N SER A 13 24.729 16.052 3.321 1.00 0.00 N ATOM 167 CA SER A 13 23.570 16.919 3.531 1.00 0.00 C ATOM 168 C SER A 13 22.813 16.514 4.793 1.00 0.00 C ATOM 169 O SER A 13 23.038 15.445 5.362 1.00 0.00 O ATOM 170 CB SER A 13 22.643 16.872 2.310 1.00 0.00 C ATOM 171 OG SER A 13 23.358 16.951 1.087 1.00 0.00 O ATOM 0 H SER A 13 24.507 15.057 3.305 1.00 0.00 H new ATOM 0 HA SER A 13 23.924 17.942 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 13 22.065 15.948 2.331 1.00 0.00 H new ATOM 0 HB3 SER A 13 21.931 17.695 2.366 1.00 0.00 H new ATOM 0 HG SER A 13 22.728 16.916 0.337 1.00 0.00 H new ATOM 177 N LEU A 14 21.856 17.354 5.188 1.00 0.00 N ATOM 178 CA LEU A 14 21.008 17.214 6.379 1.00 0.00 C ATOM 179 C LEU A 14 19.922 16.137 6.193 1.00 0.00 C ATOM 180 O LEU A 14 18.872 16.209 6.830 1.00 0.00 O ATOM 181 CB LEU A 14 20.408 18.586 6.768 1.00 0.00 C ATOM 182 CG LEU A 14 21.345 19.482 7.608 1.00 0.00 C ATOM 183 CD1 LEU A 14 22.551 20.035 6.843 1.00 0.00 C ATOM 184 CD2 LEU A 14 20.552 20.678 8.145 1.00 0.00 C ATOM 0 H LEU A 14 21.637 18.198 4.658 1.00 0.00 H new ATOM 0 HA LEU A 14 21.633 16.871 7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 14 20.136 19.120 5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.487 18.420 7.328 1.00 0.00 H new ATOM 0 HG LEU A 14 21.730 18.840 8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 14 23.153 20.652 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.155 19.208 6.469 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.204 20.639 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 14 21.209 21.313 8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.149 21.252 7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.732 20.321 8.769 1.00 0.00 H new ATOM 196 N ILE A 15 20.146 15.175 5.293 1.00 0.00 N ATOM 197 CA ILE A 15 19.357 13.982 5.020 1.00 0.00 C ATOM 198 C ILE A 15 20.276 13.009 4.260 1.00 0.00 C ATOM 199 O ILE A 15 20.034 12.695 3.095 1.00 0.00 O ATOM 200 CB ILE A 15 18.072 14.280 4.207 1.00 0.00 C ATOM 201 CG1 ILE A 15 18.285 15.350 3.112 1.00 0.00 C ATOM 202 CG2 ILE A 15 16.868 14.649 5.086 1.00 0.00 C ATOM 203 CD1 ILE A 15 17.075 15.569 2.200 1.00 0.00 C ATOM 0 H ILE A 15 20.962 15.221 4.683 1.00 0.00 H new ATOM 0 HA ILE A 15 19.007 13.553 5.959 1.00 0.00 H new ATOM 0 HB ILE A 15 17.839 13.337 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 15 18.541 16.296 3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 15 19.139 15.061 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 15 16.002 14.845 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 15 16.644 13.823 5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 15 17.102 15.541 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 15 17.310 16.335 1.461 1.00 0.00 H new ATOM 0 HD12 ILE A 15 16.830 14.637 1.691 1.00 0.00 H new ATOM 0 HD13 ILE A 15 16.222 15.891 2.798 1.00 0.00 H new ATOM 215 N ASN A 16 21.377 12.559 4.864 1.00 0.00 N ATOM 216 CA ASN A 16 22.389 11.824 4.102 1.00 0.00 C ATOM 217 C ASN A 16 21.874 10.482 3.574 1.00 0.00 C ATOM 218 O ASN A 16 22.279 10.037 2.504 1.00 0.00 O ATOM 219 CB ASN A 16 23.682 11.640 4.907 1.00 0.00 C ATOM 220 CG ASN A 16 24.872 11.359 4.002 1.00 0.00 C ATOM 221 OD1 ASN A 16 25.712 12.228 3.808 1.00 0.00 O ATOM 222 ND2 ASN A 16 24.977 10.175 3.431 1.00 0.00 N ATOM 0 H ASN A 16 21.589 12.686 5.854 1.00 0.00 H new ATOM 0 HA ASN A 16 22.618 12.439 3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 16 23.876 12.537 5.495 1.00 0.00 H new ATOM 0 HB3 ASN A 16 23.558 10.818 5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 16 25.767 9.973 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 16 24.269 9.461 3.603 1.00 0.00 H new ATOM 229 N SER A 17 20.968 9.867 4.326 1.00 0.00 N ATOM 230 CA SER A 17 20.333 8.586 4.019 1.00 0.00 C ATOM 231 C SER A 17 18.950 8.459 4.653 1.00 0.00 C ATOM 232 O SER A 17 18.340 7.393 4.598 1.00 0.00 O ATOM 233 CB SER A 17 21.274 7.431 4.412 1.00 0.00 C ATOM 234 OG SER A 17 21.849 7.633 5.692 1.00 0.00 O ATOM 0 H SER A 17 20.640 10.264 5.206 1.00 0.00 H new ATOM 0 HA SER A 17 20.163 8.533 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 17 20.720 6.493 4.407 1.00 0.00 H new ATOM 0 HB3 SER A 17 22.066 7.338 3.668 1.00 0.00 H new ATOM 0 HG SER A 17 22.438 6.880 5.908 1.00 0.00 H new ATOM 240 N ASN A 18 18.442 9.532 5.273 1.00 0.00 N ATOM 241 CA ASN A 18 17.410 9.372 6.287 1.00 0.00 C ATOM 242 C ASN A 18 16.089 8.834 5.764 1.00 0.00 C ATOM 243 O ASN A 18 15.393 8.085 6.446 1.00 0.00 O ATOM 244 CB ASN A 18 17.197 10.684 7.055 1.00 0.00 C ATOM 245 CG ASN A 18 15.901 10.677 7.866 1.00 0.00 C ATOM 246 OD1 ASN A 18 14.874 11.143 7.394 1.00 0.00 O ATOM 247 ND2 ASN A 18 15.908 10.145 9.077 1.00 0.00 N ATOM 0 H ASN A 18 18.725 10.495 5.092 1.00 0.00 H new ATOM 0 HA ASN A 18 17.786 8.606 6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.041 10.852 7.724 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.178 11.516 6.351 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.050 10.120 9.628 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.771 9.759 9.460 1.00 0.00 H new ATOM 254 N VAL A 19 15.729 9.235 4.558 1.00 0.00 N ATOM 255 CA VAL A 19 14.515 8.831 3.908 1.00 0.00 C ATOM 256 C VAL A 19 14.735 8.867 2.400 1.00 0.00 C ATOM 257 O VAL A 19 15.454 9.733 1.886 1.00 0.00 O ATOM 258 CB VAL A 19 13.371 9.707 4.456 1.00 0.00 C ATOM 259 CG1 VAL A 19 13.503 11.208 4.165 1.00 0.00 C ATOM 260 CG2 VAL A 19 12.030 9.190 3.953 1.00 0.00 C ATOM 0 H VAL A 19 16.296 9.869 3.995 1.00 0.00 H new ATOM 0 HA VAL A 19 14.223 7.803 4.121 1.00 0.00 H new ATOM 0 HB VAL A 19 13.436 9.620 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.651 11.737 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.424 11.585 4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.528 11.369 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.228 9.816 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.014 9.221 2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.887 8.163 4.289 1.00 0.00 H new ATOM 270 N GLY A 20 14.119 7.920 1.697 1.00 0.00 N ATOM 271 CA GLY A 20 14.133 7.760 0.262 1.00 0.00 C ATOM 272 C GLY A 20 13.689 6.353 -0.069 1.00 0.00 C ATOM 273 O GLY A 20 12.484 6.074 -0.058 1.00 0.00 O ATOM 0 H GLY A 20 13.561 7.199 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 20 13.469 8.487 -0.206 1.00 0.00 H new ATOM 0 HA3 GLY A 20 15.134 7.943 -0.130 1.00 0.00 H new ATOM 277 N PHE A 21 14.664 5.484 -0.304 1.00 0.00 N ATOM 278 CA PHE A 21 14.549 4.063 -0.581 1.00 0.00 C ATOM 279 C PHE A 21 15.615 3.349 0.244 1.00 0.00 C ATOM 280 O PHE A 21 16.665 3.930 0.526 1.00 0.00 O ATOM 281 CB PHE A 21 14.759 3.818 -2.088 1.00 0.00 C ATOM 282 CG PHE A 21 13.551 4.059 -2.979 1.00 0.00 C ATOM 283 CD1 PHE A 21 13.108 5.370 -3.248 1.00 0.00 C ATOM 284 CD2 PHE A 21 12.883 2.973 -3.577 1.00 0.00 C ATOM 285 CE1 PHE A 21 11.973 5.589 -4.046 1.00 0.00 C ATOM 286 CE2 PHE A 21 11.750 3.192 -4.380 1.00 0.00 C ATOM 287 CZ PHE A 21 11.283 4.498 -4.599 1.00 0.00 C ATOM 0 H PHE A 21 15.639 5.785 -0.305 1.00 0.00 H new ATOM 0 HA PHE A 21 13.562 3.684 -0.315 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.571 4.459 -2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.087 2.788 -2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 21 13.645 6.212 -2.837 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.243 1.967 -3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 21 11.631 6.596 -4.234 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.238 2.354 -4.829 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.395 4.663 -5.191 1.00 0.00 H new ATOM 297 N VAL A 22 15.334 2.105 0.625 1.00 0.00 N ATOM 298 CA VAL A 22 16.263 1.218 1.305 1.00 0.00 C ATOM 299 C VAL A 22 16.088 -0.165 0.674 1.00 0.00 C ATOM 300 O VAL A 22 14.965 -0.615 0.409 1.00 0.00 O ATOM 301 CB VAL A 22 16.008 1.193 2.829 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.124 0.475 3.594 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.816 2.587 3.446 1.00 0.00 C ATOM 0 H VAL A 22 14.423 1.677 0.462 1.00 0.00 H new ATOM 0 HA VAL A 22 17.290 1.564 1.187 1.00 0.00 H new ATOM 0 HB VAL A 22 15.074 0.641 2.932 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.898 0.484 4.660 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.198 -0.556 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 22 18.071 0.985 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.642 2.490 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.711 3.186 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 22 14.959 3.075 2.982 1.00 0.00 H new ATOM 313 N THR A 23 17.203 -0.833 0.409 1.00 0.00 N ATOM 314 CA THR A 23 17.217 -2.180 -0.126 1.00 0.00 C ATOM 315 C THR A 23 16.831 -3.159 0.989 1.00 0.00 C ATOM 316 O THR A 23 17.050 -2.907 2.178 1.00 0.00 O ATOM 317 CB THR A 23 18.600 -2.431 -0.754 1.00 0.00 C ATOM 318 OG1 THR A 23 18.881 -1.369 -1.647 1.00 0.00 O ATOM 319 CG2 THR A 23 18.714 -3.730 -1.556 1.00 0.00 C ATOM 0 H THR A 23 18.134 -0.445 0.563 1.00 0.00 H new ATOM 0 HA THR A 23 16.484 -2.327 -0.919 1.00 0.00 H new ATOM 0 HB THR A 23 19.298 -2.503 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.760 -1.510 -2.057 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.722 -3.821 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.506 -4.579 -0.905 1.00 0.00 H new ATOM 0 HG23 THR A 23 17.995 -3.716 -2.375 1.00 0.00 H new ATOM 327 N MET A 24 16.269 -4.308 0.616 1.00 0.00 N ATOM 328 CA MET A 24 16.045 -5.432 1.499 1.00 0.00 C ATOM 329 C MET A 24 16.636 -6.672 0.855 1.00 0.00 C ATOM 330 O MET A 24 16.883 -6.723 -0.353 1.00 0.00 O ATOM 331 CB MET A 24 14.556 -5.642 1.771 1.00 0.00 C ATOM 332 CG MET A 24 13.861 -4.395 2.310 1.00 0.00 C ATOM 333 SD MET A 24 12.100 -4.635 2.640 1.00 0.00 S ATOM 334 CE MET A 24 12.216 -5.916 3.915 1.00 0.00 C ATOM 0 H MET A 24 15.951 -4.479 -0.338 1.00 0.00 H new ATOM 0 HA MET A 24 16.526 -5.233 2.457 1.00 0.00 H new ATOM 0 HB2 MET A 24 14.065 -5.953 0.849 1.00 0.00 H new ATOM 0 HB3 MET A 24 14.435 -6.455 2.487 1.00 0.00 H new ATOM 0 HG2 MET A 24 14.355 -4.082 3.230 1.00 0.00 H new ATOM 0 HG3 MET A 24 13.981 -3.583 1.592 1.00 0.00 H new ATOM 0 HE1 MET A 24 11.318 -5.897 4.533 1.00 0.00 H new ATOM 0 HE2 MET A 24 12.310 -6.893 3.441 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.090 -5.730 4.539 1.00 0.00 H new ATOM 344 N ILE A 25 16.836 -7.673 1.695 1.00 0.00 N ATOM 345 CA ILE A 25 17.619 -8.870 1.442 1.00 0.00 C ATOM 346 C ILE A 25 16.680 -10.046 1.706 1.00 0.00 C ATOM 347 O ILE A 25 15.976 -10.053 2.719 1.00 0.00 O ATOM 348 CB ILE A 25 18.851 -8.889 2.384 1.00 0.00 C ATOM 349 CG1 ILE A 25 19.629 -7.551 2.497 1.00 0.00 C ATOM 350 CG2 ILE A 25 19.826 -10.027 2.037 1.00 0.00 C ATOM 351 CD1 ILE A 25 20.247 -7.025 1.193 1.00 0.00 C ATOM 0 H ILE A 25 16.430 -7.671 2.631 1.00 0.00 H new ATOM 0 HA ILE A 25 18.003 -8.915 0.423 1.00 0.00 H new ATOM 0 HB ILE A 25 18.411 -9.063 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 25 18.953 -6.791 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 25 20.426 -7.677 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 25 20.673 -10.002 2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 25 19.314 -10.985 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 25 20.182 -9.902 1.015 1.00 0.00 H new ATOM 0 HD11 ILE A 25 20.766 -6.087 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 25 20.955 -7.757 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 25 19.459 -6.858 0.459 1.00 0.00 H new ATOM 363 N LEU A 26 16.663 -11.037 0.812 1.00 0.00 N ATOM 364 CA LEU A 26 15.867 -12.248 0.965 1.00 0.00 C ATOM 365 C LEU A 26 16.772 -13.461 1.102 1.00 0.00 C ATOM 366 O LEU A 26 17.699 -13.646 0.303 1.00 0.00 O ATOM 367 CB LEU A 26 14.893 -12.426 -0.221 1.00 0.00 C ATOM 368 CG LEU A 26 13.416 -12.277 0.163 1.00 0.00 C ATOM 369 CD1 LEU A 26 13.020 -13.308 1.201 1.00 0.00 C ATOM 370 CD2 LEU A 26 13.133 -10.835 0.614 1.00 0.00 C ATOM 0 H LEU A 26 17.210 -11.017 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 26 15.273 -12.152 1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.134 -11.693 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.047 -13.412 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 26 12.794 -12.470 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.968 -13.181 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.178 -14.309 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.629 -13.176 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 12.082 -10.738 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.754 -10.595 1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.363 -10.147 -0.200 1.00 0.00 H new ATOM 382 N GLN A 27 16.470 -14.322 2.073 1.00 0.00 N ATOM 383 CA GLN A 27 17.194 -15.556 2.318 1.00 0.00 C ATOM 384 C GLN A 27 16.242 -16.735 2.194 1.00 0.00 C ATOM 385 O GLN A 27 15.178 -16.735 2.817 1.00 0.00 O ATOM 386 CB GLN A 27 17.835 -15.518 3.709 1.00 0.00 C ATOM 387 CG GLN A 27 18.956 -14.467 3.828 1.00 0.00 C ATOM 388 CD GLN A 27 20.243 -15.110 4.334 1.00 0.00 C ATOM 389 OE1 GLN A 27 20.262 -15.744 5.386 1.00 0.00 O ATOM 390 NE2 GLN A 27 21.330 -15.052 3.589 1.00 0.00 N ATOM 0 H GLN A 27 15.697 -14.172 2.722 1.00 0.00 H new ATOM 0 HA GLN A 27 17.988 -15.668 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.066 -15.306 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 27 18.241 -16.502 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 27 19.132 -14.004 2.857 1.00 0.00 H new ATOM 0 HG3 GLN A 27 18.647 -13.674 4.509 1.00 0.00 H new ATOM 0 HE21 GLN A 27 21.321 -14.527 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 27 22.179 -15.532 3.888 1.00 0.00 H new ATOM 399 N CYS A 28 16.639 -17.738 1.409 1.00 0.00 N ATOM 400 CA CYS A 28 15.934 -19.001 1.274 1.00 0.00 C ATOM 401 C CYS A 28 16.922 -20.162 1.445 1.00 0.00 C ATOM 402 O CYS A 28 18.108 -20.025 1.130 1.00 0.00 O ATOM 403 CB CYS A 28 15.194 -19.038 -0.078 1.00 0.00 C ATOM 404 SG CYS A 28 16.217 -18.543 -1.498 1.00 0.00 S ATOM 0 H CYS A 28 17.482 -17.687 0.837 1.00 0.00 H new ATOM 0 HA CYS A 28 15.180 -19.104 2.055 1.00 0.00 H new ATOM 0 HB2 CYS A 28 14.820 -20.048 -0.248 1.00 0.00 H new ATOM 0 HB3 CYS A 28 14.326 -18.381 -0.023 1.00 0.00 H new ATOM 0 HG CYS A 28 16.591 -19.602 -2.153 1.00 0.00 H new ATOM 410 N SER A 29 16.418 -21.319 1.881 1.00 0.00 N ATOM 411 CA SER A 29 17.126 -22.605 1.865 1.00 0.00 C ATOM 412 C SER A 29 16.626 -23.450 0.676 1.00 0.00 C ATOM 413 O SER A 29 16.359 -24.639 0.837 1.00 0.00 O ATOM 414 CB SER A 29 16.953 -23.321 3.221 1.00 0.00 C ATOM 415 OG SER A 29 17.921 -22.914 4.163 1.00 0.00 O ATOM 0 H SER A 29 15.477 -21.391 2.267 1.00 0.00 H new ATOM 0 HA SER A 29 18.196 -22.447 1.727 1.00 0.00 H new ATOM 0 HB2 SER A 29 15.957 -23.117 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 29 17.022 -24.399 3.073 1.00 0.00 H new ATOM 0 HG SER A 29 17.775 -23.389 5.008 1.00 0.00 H new ATOM 421 N ILE A 30 16.453 -22.841 -0.501 1.00 0.00 N ATOM 422 CA ILE A 30 16.194 -23.515 -1.774 1.00 0.00 C ATOM 423 C ILE A 30 16.829 -22.693 -2.891 1.00 0.00 C ATOM 424 O ILE A 30 16.894 -21.459 -2.805 1.00 0.00 O ATOM 425 CB ILE A 30 14.681 -23.674 -2.073 1.00 0.00 C ATOM 426 CG1 ILE A 30 13.893 -22.355 -1.898 1.00 0.00 C ATOM 427 CG2 ILE A 30 14.083 -24.802 -1.225 1.00 0.00 C ATOM 428 CD1 ILE A 30 12.424 -22.457 -2.307 1.00 0.00 C ATOM 0 H ILE A 30 16.491 -21.826 -0.595 1.00 0.00 H new ATOM 0 HA ILE A 30 16.621 -24.516 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 30 14.588 -23.943 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 30 13.950 -22.044 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 30 14.372 -21.575 -2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 30 13.020 -24.900 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 30 14.590 -25.739 -1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 30 14.213 -24.570 -0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.937 -21.494 -2.156 1.00 0.00 H new ATOM 0 HD12 ILE A 30 12.358 -22.737 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.929 -23.213 -1.698 1.00 0.00 H new ATOM 440 N GLU A 31 17.243 -23.374 -3.956 1.00 0.00 N ATOM 441 CA GLU A 31 17.577 -22.731 -5.205 1.00 0.00 C ATOM 442 C GLU A 31 16.347 -22.014 -5.735 1.00 0.00 C ATOM 443 O GLU A 31 15.255 -22.590 -5.790 1.00 0.00 O ATOM 444 CB GLU A 31 18.142 -23.728 -6.220 1.00 0.00 C ATOM 445 CG GLU A 31 18.818 -22.987 -7.382 1.00 0.00 C ATOM 446 CD GLU A 31 19.578 -23.925 -8.320 1.00 0.00 C ATOM 447 OE1 GLU A 31 20.612 -24.492 -7.899 1.00 0.00 O ATOM 448 OE2 GLU A 31 19.207 -24.003 -9.514 1.00 0.00 O ATOM 0 H GLU A 31 17.354 -24.388 -3.968 1.00 0.00 H new ATOM 0 HA GLU A 31 18.365 -21.998 -5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 31 18.862 -24.385 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 31 17.341 -24.361 -6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 31 18.062 -22.446 -7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 19.508 -22.244 -6.981 1.00 0.00 H new ATOM 455 N MET A 32 16.556 -20.768 -6.154 1.00 0.00 N ATOM 456 CA MET A 32 15.587 -20.002 -6.922 1.00 0.00 C ATOM 457 C MET A 32 15.952 -20.011 -8.424 1.00 0.00 C ATOM 458 O MET A 32 16.591 -19.072 -8.913 1.00 0.00 O ATOM 459 CB MET A 32 15.476 -18.575 -6.365 1.00 0.00 C ATOM 460 CG MET A 32 14.673 -18.435 -5.074 1.00 0.00 C ATOM 461 SD MET A 32 13.951 -16.772 -4.879 1.00 0.00 S ATOM 462 CE MET A 32 15.394 -15.733 -4.549 1.00 0.00 C ATOM 0 H MET A 32 17.418 -20.257 -5.965 1.00 0.00 H new ATOM 0 HA MET A 32 14.607 -20.470 -6.826 1.00 0.00 H new ATOM 0 HB2 MET A 32 16.482 -18.192 -6.190 1.00 0.00 H new ATOM 0 HB3 MET A 32 15.021 -17.941 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 32 13.875 -19.178 -5.064 1.00 0.00 H new ATOM 0 HG3 MET A 32 15.319 -18.649 -4.223 1.00 0.00 H new ATOM 0 HE1 MET A 32 15.192 -14.714 -4.879 1.00 0.00 H new ATOM 0 HE2 MET A 32 15.606 -15.733 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 32 16.256 -16.125 -5.089 1.00 0.00 H new ATOM 472 N PRO A 33 15.549 -21.032 -9.208 1.00 0.00 N ATOM 473 CA PRO A 33 15.752 -21.055 -10.659 1.00 0.00 C ATOM 474 C PRO A 33 14.906 -20.020 -11.412 1.00 0.00 C ATOM 475 O PRO A 33 15.112 -19.794 -12.607 1.00 0.00 O ATOM 476 CB PRO A 33 15.367 -22.462 -11.110 1.00 0.00 C ATOM 477 CG PRO A 33 14.402 -22.941 -10.039 1.00 0.00 C ATOM 478 CD PRO A 33 14.928 -22.274 -8.777 1.00 0.00 C ATOM 0 HA PRO A 33 16.788 -20.801 -10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.898 -22.451 -12.094 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.240 -23.111 -11.180 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.377 -22.641 -10.256 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.404 -24.027 -9.951 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.120 -22.082 -8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 33 15.649 -22.915 -8.269 1.00 0.00 H new ATOM 486 N ASN A 34 13.940 -19.392 -10.746 1.00 0.00 N ATOM 487 CA ASN A 34 13.234 -18.210 -11.224 1.00 0.00 C ATOM 488 C ASN A 34 12.993 -17.285 -10.047 1.00 0.00 C ATOM 489 O ASN A 34 13.033 -17.701 -8.892 1.00 0.00 O ATOM 490 CB ASN A 34 11.898 -18.558 -11.897 1.00 0.00 C ATOM 491 CG ASN A 34 10.941 -19.294 -10.978 1.00 0.00 C ATOM 492 OD1 ASN A 34 10.294 -18.713 -10.115 1.00 0.00 O ATOM 493 ND2 ASN A 34 10.825 -20.597 -11.141 1.00 0.00 N ATOM 0 H ASN A 34 13.618 -19.703 -9.830 1.00 0.00 H new ATOM 0 HA ASN A 34 13.852 -17.725 -11.980 1.00 0.00 H new ATOM 0 HB2 ASN A 34 11.424 -17.640 -12.245 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.091 -19.171 -12.777 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.192 -21.131 -10.546 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.368 -21.071 -11.863 1.00 0.00 H new ATOM 500 N ILE A 35 12.755 -16.021 -10.364 1.00 0.00 N ATOM 501 CA ILE A 35 12.535 -14.960 -9.392 1.00 0.00 C ATOM 502 C ILE A 35 11.163 -15.057 -8.705 1.00 0.00 C ATOM 503 O ILE A 35 11.001 -14.551 -7.594 1.00 0.00 O ATOM 504 CB ILE A 35 12.784 -13.625 -10.124 1.00 0.00 C ATOM 505 CG1 ILE A 35 13.019 -12.472 -9.142 1.00 0.00 C ATOM 506 CG2 ILE A 35 11.707 -13.290 -11.173 1.00 0.00 C ATOM 507 CD1 ILE A 35 13.895 -11.378 -9.759 1.00 0.00 C ATOM 0 H ILE A 35 12.708 -15.696 -11.330 1.00 0.00 H new ATOM 0 HA ILE A 35 13.231 -15.048 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 35 13.706 -13.761 -10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 35 12.061 -12.047 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 35 13.494 -12.854 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 35 11.946 -12.339 -11.648 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.678 -14.076 -11.928 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.734 -13.219 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 35 14.041 -10.577 -9.035 1.00 0.00 H new ATOM 0 HD12 ILE A 35 14.862 -11.798 -10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 35 13.407 -10.979 -10.648 1.00 0.00 H new ATOM 519 N SER A 36 10.176 -15.719 -9.323 1.00 0.00 N ATOM 520 CA SER A 36 8.809 -15.813 -8.817 1.00 0.00 C ATOM 521 C SER A 36 8.749 -16.448 -7.427 1.00 0.00 C ATOM 522 O SER A 36 7.864 -16.112 -6.642 1.00 0.00 O ATOM 523 CB SER A 36 7.936 -16.629 -9.779 1.00 0.00 C ATOM 524 OG SER A 36 8.376 -16.555 -11.123 1.00 0.00 O ATOM 0 H SER A 36 10.313 -16.212 -10.205 1.00 0.00 H new ATOM 0 HA SER A 36 8.431 -14.793 -8.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.931 -17.672 -9.461 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.908 -16.273 -9.719 1.00 0.00 H new ATOM 0 HG SER A 36 9.043 -17.254 -11.288 1.00 0.00 H new ATOM 530 N TYR A 37 9.706 -17.330 -7.114 1.00 0.00 N ATOM 531 CA TYR A 37 9.836 -17.999 -5.832 1.00 0.00 C ATOM 532 C TYR A 37 9.737 -16.997 -4.682 1.00 0.00 C ATOM 533 O TYR A 37 8.913 -17.181 -3.785 1.00 0.00 O ATOM 534 CB TYR A 37 11.175 -18.752 -5.796 1.00 0.00 C ATOM 535 CG TYR A 37 11.128 -20.178 -6.302 1.00 0.00 C ATOM 536 CD1 TYR A 37 10.779 -21.221 -5.422 1.00 0.00 C ATOM 537 CD2 TYR A 37 11.477 -20.476 -7.633 1.00 0.00 C ATOM 538 CE1 TYR A 37 10.790 -22.555 -5.865 1.00 0.00 C ATOM 539 CE2 TYR A 37 11.446 -21.800 -8.089 1.00 0.00 C ATOM 540 CZ TYR A 37 11.121 -22.846 -7.204 1.00 0.00 C ATOM 541 OH TYR A 37 11.164 -24.128 -7.650 1.00 0.00 O ATOM 0 H TYR A 37 10.433 -17.601 -7.776 1.00 0.00 H new ATOM 0 HA TYR A 37 9.020 -18.712 -5.710 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.901 -18.197 -6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.541 -18.760 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.502 -20.995 -4.403 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.769 -19.682 -8.304 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.546 -23.355 -5.181 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.672 -22.019 -9.122 1.00 0.00 H new ATOM 0 HH TYR A 37 11.409 -24.136 -8.599 1.00 0.00 H new ATOM 551 N ALA A 38 10.546 -15.936 -4.722 1.00 0.00 N ATOM 552 CA ALA A 38 10.556 -14.928 -3.677 1.00 0.00 C ATOM 553 C ALA A 38 9.235 -14.162 -3.644 1.00 0.00 C ATOM 554 O ALA A 38 8.614 -14.051 -2.585 1.00 0.00 O ATOM 555 CB ALA A 38 11.717 -13.963 -3.889 1.00 0.00 C ATOM 0 H ALA A 38 11.207 -15.758 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 38 10.682 -15.432 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 38 11.714 -13.212 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.657 -14.514 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.611 -13.473 -4.857 1.00 0.00 H new ATOM 561 N TRP A 39 8.823 -13.627 -4.796 1.00 0.00 N ATOM 562 CA TRP A 39 7.629 -12.806 -4.939 1.00 0.00 C ATOM 563 C TRP A 39 6.396 -13.474 -4.356 1.00 0.00 C ATOM 564 O TRP A 39 5.642 -12.811 -3.650 1.00 0.00 O ATOM 565 CB TRP A 39 7.395 -12.521 -6.423 1.00 0.00 C ATOM 566 CG TRP A 39 8.261 -11.457 -7.007 1.00 0.00 C ATOM 567 CD1 TRP A 39 9.263 -11.628 -7.897 1.00 0.00 C ATOM 568 CD2 TRP A 39 8.111 -10.023 -6.838 1.00 0.00 C ATOM 569 NE1 TRP A 39 9.724 -10.393 -8.310 1.00 0.00 N ATOM 570 CE2 TRP A 39 8.997 -9.368 -7.741 1.00 0.00 C ATOM 571 CE3 TRP A 39 7.243 -9.220 -6.068 1.00 0.00 C ATOM 572 CZ2 TRP A 39 8.969 -7.979 -7.927 1.00 0.00 C ATOM 573 CZ3 TRP A 39 7.190 -7.826 -6.263 1.00 0.00 C ATOM 574 CH2 TRP A 39 8.024 -7.217 -7.219 1.00 0.00 C ATOM 0 H TRP A 39 9.326 -13.759 -5.673 1.00 0.00 H new ATOM 0 HA TRP A 39 7.793 -11.881 -4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.551 -13.443 -6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 39 6.352 -12.236 -6.562 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.644 -12.581 -8.233 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.503 -10.256 -8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 39 6.612 -9.679 -5.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.663 -7.502 -8.604 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.509 -7.225 -5.679 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.937 -6.158 -7.410 1.00 0.00 H new ATOM 585 N LYS A 40 6.185 -14.760 -4.639 1.00 0.00 N ATOM 586 CA LYS A 40 5.037 -15.492 -4.123 1.00 0.00 C ATOM 587 C LYS A 40 5.010 -15.510 -2.602 1.00 0.00 C ATOM 588 O LYS A 40 3.923 -15.439 -2.032 1.00 0.00 O ATOM 589 CB LYS A 40 5.058 -16.920 -4.663 1.00 0.00 C ATOM 590 CG LYS A 40 4.462 -16.988 -6.069 1.00 0.00 C ATOM 591 CD LYS A 40 4.358 -18.457 -6.464 1.00 0.00 C ATOM 592 CE LYS A 40 3.695 -18.584 -7.832 1.00 0.00 C ATOM 593 NZ LYS A 40 3.433 -19.996 -8.149 1.00 0.00 N ATOM 0 H LYS A 40 6.803 -15.317 -5.229 1.00 0.00 H new ATOM 0 HA LYS A 40 4.135 -14.981 -4.459 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.083 -17.290 -4.681 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.496 -17.573 -3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.479 -16.517 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.090 -16.446 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.351 -18.907 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.780 -19.002 -5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.760 -18.023 -7.843 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.338 -18.147 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.982 -20.064 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.330 -20.522 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.802 -20.402 -7.429 1.00 0.00 H new ATOM 607 N GLU A 41 6.170 -15.607 -1.953 1.00 0.00 N ATOM 608 CA GLU A 41 6.261 -15.614 -0.502 1.00 0.00 C ATOM 609 C GLU A 41 5.848 -14.252 0.042 1.00 0.00 C ATOM 610 O GLU A 41 4.991 -14.183 0.921 1.00 0.00 O ATOM 611 CB GLU A 41 7.687 -15.956 -0.051 1.00 0.00 C ATOM 612 CG GLU A 41 7.683 -16.812 1.216 1.00 0.00 C ATOM 613 CD GLU A 41 7.173 -18.246 1.018 1.00 0.00 C ATOM 614 OE1 GLU A 41 6.943 -18.697 -0.130 1.00 0.00 O ATOM 615 OE2 GLU A 41 7.014 -18.960 2.030 1.00 0.00 O ATOM 0 H GLU A 41 7.072 -15.683 -2.424 1.00 0.00 H new ATOM 0 HA GLU A 41 5.588 -16.377 -0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 41 8.205 -16.488 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 8.243 -15.036 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.697 -16.853 1.614 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.065 -16.321 1.968 1.00 0.00 H new ATOM 622 N LEU A 42 6.432 -13.164 -0.478 1.00 0.00 N ATOM 623 CA LEU A 42 6.011 -11.830 -0.069 1.00 0.00 C ATOM 624 C LEU A 42 4.515 -11.630 -0.295 1.00 0.00 C ATOM 625 O LEU A 42 3.827 -11.157 0.600 1.00 0.00 O ATOM 626 CB LEU A 42 6.769 -10.725 -0.819 1.00 0.00 C ATOM 627 CG LEU A 42 8.125 -10.319 -0.223 1.00 0.00 C ATOM 628 CD1 LEU A 42 8.126 -10.074 1.287 1.00 0.00 C ATOM 629 CD2 LEU A 42 9.174 -11.365 -0.565 1.00 0.00 C ATOM 0 H LEU A 42 7.182 -13.185 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 42 6.240 -11.755 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.929 -11.054 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.134 -9.840 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 42 8.359 -9.356 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.129 -9.793 1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.430 -9.270 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.821 -10.984 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.133 -11.071 -0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.875 -12.329 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.267 -11.446 -1.648 1.00 0.00 H new ATOM 641 N LYS A 43 4.009 -11.988 -1.478 1.00 0.00 N ATOM 642 CA LYS A 43 2.597 -11.878 -1.838 1.00 0.00 C ATOM 643 C LYS A 43 1.693 -12.727 -0.923 1.00 0.00 C ATOM 644 O LYS A 43 0.499 -12.446 -0.839 1.00 0.00 O ATOM 645 CB LYS A 43 2.429 -12.260 -3.320 1.00 0.00 C ATOM 646 CG LYS A 43 2.745 -11.123 -4.315 1.00 0.00 C ATOM 647 CD LYS A 43 2.661 -11.604 -5.778 1.00 0.00 C ATOM 648 CE LYS A 43 2.296 -10.432 -6.709 1.00 0.00 C ATOM 649 NZ LYS A 43 2.181 -10.815 -8.133 1.00 0.00 N ATOM 0 H LYS A 43 4.585 -12.371 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 43 2.278 -10.846 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.078 -13.108 -3.539 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.404 -12.593 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.046 -10.301 -4.162 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.744 -10.733 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.616 -12.034 -6.081 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.914 -12.393 -5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.350 -10.000 -6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.053 -9.653 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.984 -9.969 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.073 -11.247 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.405 -11.498 -8.247 1.00 0.00 H new ATOM 663 N GLU A 44 2.224 -13.738 -0.232 1.00 0.00 N ATOM 664 CA GLU A 44 1.499 -14.546 0.747 1.00 0.00 C ATOM 665 C GLU A 44 1.291 -13.770 2.060 1.00 0.00 C ATOM 666 O GLU A 44 0.274 -13.973 2.728 1.00 0.00 O ATOM 667 CB GLU A 44 2.281 -15.862 1.000 1.00 0.00 C ATOM 668 CG GLU A 44 1.517 -17.149 0.658 1.00 0.00 C ATOM 669 CD GLU A 44 0.467 -17.571 1.689 1.00 0.00 C ATOM 670 OE1 GLU A 44 0.702 -17.493 2.913 1.00 0.00 O ATOM 671 OE2 GLU A 44 -0.588 -18.099 1.271 1.00 0.00 O ATOM 0 H GLU A 44 3.197 -14.024 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 44 0.512 -14.784 0.352 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.201 -15.838 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.571 -15.898 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.025 -17.017 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.236 -17.960 0.541 1.00 0.00 H new ATOM 678 N GLN A 45 2.216 -12.879 2.442 1.00 0.00 N ATOM 679 CA GLN A 45 2.278 -12.277 3.781 1.00 0.00 C ATOM 680 C GLN A 45 2.011 -10.767 3.783 1.00 0.00 C ATOM 681 O GLN A 45 1.477 -10.248 4.759 1.00 0.00 O ATOM 682 CB GLN A 45 3.665 -12.546 4.388 1.00 0.00 C ATOM 683 CG GLN A 45 3.895 -14.012 4.796 1.00 0.00 C ATOM 684 CD GLN A 45 3.041 -14.509 5.969 1.00 0.00 C ATOM 685 OE1 GLN A 45 2.673 -15.676 6.032 1.00 0.00 O ATOM 686 NE2 GLN A 45 2.785 -13.694 6.981 1.00 0.00 N ATOM 0 H GLN A 45 2.954 -12.551 1.819 1.00 0.00 H new ATOM 0 HA GLN A 45 1.488 -12.738 4.374 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.429 -12.256 3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.797 -11.911 5.264 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.700 -14.647 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.946 -14.139 5.054 1.00 0.00 H new ATOM 0 HE21 GLN A 45 3.086 -12.720 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.287 -14.040 7.801 1.00 0.00 H new ATOM 695 N LEU A 46 2.375 -10.055 2.717 1.00 0.00 N ATOM 696 CA LEU A 46 2.088 -8.632 2.528 1.00 0.00 C ATOM 697 C LEU A 46 0.765 -8.436 1.775 1.00 0.00 C ATOM 698 O LEU A 46 0.341 -7.295 1.559 1.00 0.00 O ATOM 699 CB LEU A 46 3.236 -7.964 1.745 1.00 0.00 C ATOM 700 CG LEU A 46 4.615 -7.966 2.440 1.00 0.00 C ATOM 701 CD1 LEU A 46 5.652 -7.318 1.523 1.00 0.00 C ATOM 702 CD2 LEU A 46 4.576 -7.221 3.772 1.00 0.00 C ATOM 0 H LEU A 46 2.892 -10.463 1.939 1.00 0.00 H new ATOM 0 HA LEU A 46 1.999 -8.168 3.510 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.335 -8.467 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.956 -6.931 1.538 1.00 0.00 H new ATOM 0 HG LEU A 46 4.887 -9.002 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.625 -7.320 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.715 -7.880 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.356 -6.291 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.564 -7.244 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.279 -6.186 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.856 -7.700 4.436 1.00 0.00 H new ATOM 714 N GLY A 47 0.114 -9.527 1.378 1.00 0.00 N ATOM 715 CA GLY A 47 -0.973 -9.555 0.423 1.00 0.00 C ATOM 716 C GLY A 47 -0.429 -9.454 -0.993 1.00 0.00 C ATOM 717 O GLY A 47 0.681 -8.962 -1.221 1.00 0.00 O ATOM 0 H GLY A 47 0.346 -10.454 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.543 -10.477 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.659 -8.730 0.617 1.00 0.00 H new ATOM 721 N GLU A 48 -1.217 -9.925 -1.958 1.00 0.00 N ATOM 722 CA GLU A 48 -0.747 -10.087 -3.327 1.00 0.00 C ATOM 723 C GLU A 48 -0.448 -8.745 -4.004 1.00 0.00 C ATOM 724 O GLU A 48 0.327 -8.673 -4.957 1.00 0.00 O ATOM 725 CB GLU A 48 -1.741 -10.926 -4.155 1.00 0.00 C ATOM 726 CG GLU A 48 -0.995 -12.095 -4.798 1.00 0.00 C ATOM 727 CD GLU A 48 -1.819 -12.935 -5.768 1.00 0.00 C ATOM 728 OE1 GLU A 48 -2.253 -12.398 -6.815 1.00 0.00 O ATOM 729 OE2 GLU A 48 -1.886 -14.170 -5.564 1.00 0.00 O ATOM 0 H GLU A 48 -2.188 -10.201 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 48 0.198 -10.629 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.543 -11.297 -3.517 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.206 -10.308 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.127 -11.704 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.620 -12.745 -4.007 1.00 0.00 H new ATOM 736 N GLU A 49 -1.018 -7.660 -3.482 1.00 0.00 N ATOM 737 CA GLU A 49 -0.906 -6.325 -4.015 1.00 0.00 C ATOM 738 C GLU A 49 0.335 -5.695 -3.395 1.00 0.00 C ATOM 739 O GLU A 49 0.285 -4.847 -2.493 1.00 0.00 O ATOM 740 CB GLU A 49 -2.184 -5.524 -3.713 1.00 0.00 C ATOM 741 CG GLU A 49 -3.460 -6.080 -4.363 1.00 0.00 C ATOM 742 CD GLU A 49 -3.648 -5.701 -5.834 1.00 0.00 C ATOM 743 OE1 GLU A 49 -2.657 -5.588 -6.587 1.00 0.00 O ATOM 744 OE2 GLU A 49 -4.822 -5.567 -6.255 1.00 0.00 O ATOM 0 H GLU A 49 -1.593 -7.701 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.801 -6.334 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.328 -5.490 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.040 -4.497 -4.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.449 -7.167 -4.281 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.323 -5.726 -3.798 1.00 0.00 H new ATOM 751 N ILE A 50 1.466 -6.199 -3.872 1.00 0.00 N ATOM 752 CA ILE A 50 2.793 -5.700 -3.562 1.00 0.00 C ATOM 753 C ILE A 50 3.618 -5.406 -4.825 1.00 0.00 C ATOM 754 O ILE A 50 4.641 -4.728 -4.756 1.00 0.00 O ATOM 755 CB ILE A 50 3.463 -6.676 -2.563 1.00 0.00 C ATOM 756 CG1 ILE A 50 4.544 -5.966 -1.745 1.00 0.00 C ATOM 757 CG2 ILE A 50 4.064 -7.935 -3.218 1.00 0.00 C ATOM 758 CD1 ILE A 50 3.974 -4.930 -0.774 1.00 0.00 C ATOM 0 H ILE A 50 1.481 -6.996 -4.509 1.00 0.00 H new ATOM 0 HA ILE A 50 2.725 -4.727 -3.076 1.00 0.00 H new ATOM 0 HB ILE A 50 2.656 -7.013 -1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.113 -6.707 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.242 -5.475 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.513 -8.565 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.277 -8.490 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.827 -7.641 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.789 -4.461 -0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.428 -4.169 -1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.298 -5.421 -0.074 1.00 0.00 H new ATOM 770 N ASP A 51 3.196 -5.862 -6.008 1.00 0.00 N ATOM 771 CA ASP A 51 4.029 -5.779 -7.216 1.00 0.00 C ATOM 772 C ASP A 51 3.890 -4.480 -8.015 1.00 0.00 C ATOM 773 O ASP A 51 4.520 -4.335 -9.064 1.00 0.00 O ATOM 774 CB ASP A 51 3.915 -7.032 -8.085 1.00 0.00 C ATOM 775 CG ASP A 51 2.676 -7.168 -8.965 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.070 -6.160 -9.378 1.00 0.00 O ATOM 777 OD2 ASP A 51 2.370 -8.334 -9.304 1.00 0.00 O ATOM 0 H ASP A 51 2.283 -6.293 -6.157 1.00 0.00 H new ATOM 0 HA ASP A 51 5.052 -5.740 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.792 -7.075 -8.730 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.959 -7.901 -7.429 1.00 0.00 H new ATOM 782 N SER A 52 3.174 -3.489 -7.484 1.00 0.00 N ATOM 783 CA SER A 52 3.210 -2.102 -7.952 1.00 0.00 C ATOM 784 C SER A 52 4.223 -1.270 -7.139 1.00 0.00 C ATOM 785 O SER A 52 4.352 -0.059 -7.336 1.00 0.00 O ATOM 786 CB SER A 52 1.792 -1.519 -7.852 1.00 0.00 C ATOM 787 OG SER A 52 1.695 -0.329 -8.604 1.00 0.00 O ATOM 0 H SER A 52 2.538 -3.631 -6.699 1.00 0.00 H new ATOM 0 HA SER A 52 3.541 -2.070 -8.990 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.066 -2.247 -8.216 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.547 -1.319 -6.809 1.00 0.00 H new ATOM 0 HG SER A 52 2.486 0.226 -8.442 1.00 0.00 H new ATOM 793 N LYS A 53 4.896 -1.884 -6.159 1.00 0.00 N ATOM 794 CA LYS A 53 5.491 -1.183 -5.024 1.00 0.00 C ATOM 795 C LYS A 53 6.949 -1.574 -4.815 1.00 0.00 C ATOM 796 O LYS A 53 7.496 -1.342 -3.741 1.00 0.00 O ATOM 797 CB LYS A 53 4.617 -1.459 -3.793 1.00 0.00 C ATOM 798 CG LYS A 53 3.283 -0.716 -3.897 1.00 0.00 C ATOM 799 CD LYS A 53 2.137 -1.507 -3.269 1.00 0.00 C ATOM 800 CE LYS A 53 1.153 -0.534 -2.624 1.00 0.00 C ATOM 801 NZ LYS A 53 1.676 -0.015 -1.344 1.00 0.00 N ATOM 0 H LYS A 53 5.042 -2.893 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 53 5.515 -0.110 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.436 -2.530 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.143 -1.147 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.368 0.252 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.057 -0.521 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.632 -2.104 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.524 -2.201 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.960 0.296 -3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.200 -1.036 -2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.892 0.372 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.134 -0.786 -0.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.371 0.736 -1.532 1.00 0.00 H new ATOM 815 N VAL A 54 7.594 -2.194 -5.794 1.00 0.00 N ATOM 816 CA VAL A 54 9.002 -2.560 -5.714 1.00 0.00 C ATOM 817 C VAL A 54 9.699 -2.081 -6.986 1.00 0.00 C ATOM 818 O VAL A 54 9.053 -1.687 -7.960 1.00 0.00 O ATOM 819 CB VAL A 54 9.115 -4.077 -5.463 1.00 0.00 C ATOM 820 CG1 VAL A 54 10.575 -4.522 -5.339 1.00 0.00 C ATOM 821 CG2 VAL A 54 8.350 -4.526 -4.206 1.00 0.00 C ATOM 0 H VAL A 54 7.151 -2.459 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 54 9.506 -2.076 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 54 8.662 -4.552 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.614 -5.597 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.107 -4.286 -6.261 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.045 -4.000 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.463 -5.602 -4.076 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.751 -4.011 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.293 -4.283 -4.317 1.00 0.00 H new ATOM 831 N LYS A 55 11.027 -2.045 -6.969 1.00 0.00 N ATOM 832 CA LYS A 55 11.861 -1.709 -8.111 1.00 0.00 C ATOM 833 C LYS A 55 12.390 -2.999 -8.757 1.00 0.00 C ATOM 834 O LYS A 55 11.721 -4.037 -8.735 1.00 0.00 O ATOM 835 CB LYS A 55 12.934 -0.711 -7.655 1.00 0.00 C ATOM 836 CG LYS A 55 12.375 0.641 -7.172 1.00 0.00 C ATOM 837 CD LYS A 55 11.780 1.511 -8.294 1.00 0.00 C ATOM 838 CE LYS A 55 12.874 1.928 -9.286 1.00 0.00 C ATOM 839 NZ LYS A 55 12.640 1.461 -10.669 1.00 0.00 N ATOM 0 H LYS A 55 11.568 -2.256 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 55 11.301 -1.208 -8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.513 -1.161 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.623 -0.532 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.605 0.457 -6.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.173 1.197 -6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.999 0.958 -8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.312 2.397 -7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.953 3.015 -9.289 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.832 1.540 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.419 1.780 -11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.594 0.422 -10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.742 1.851 -11.020 1.00 0.00 H new ATOM 853 N GLY A 56 13.527 -2.926 -9.443 1.00 0.00 N ATOM 854 CA GLY A 56 14.128 -4.036 -10.152 1.00 0.00 C ATOM 855 C GLY A 56 14.740 -5.024 -9.167 1.00 0.00 C ATOM 856 O GLY A 56 15.891 -4.839 -8.769 1.00 0.00 O ATOM 0 H GLY A 56 14.067 -2.064 -9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.376 -4.538 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.896 -3.668 -10.833 1.00 0.00 H new ATOM 860 N MET A 57 13.985 -6.040 -8.739 1.00 0.00 N ATOM 861 CA MET A 57 14.514 -7.123 -7.908 1.00 0.00 C ATOM 862 C MET A 57 15.646 -7.815 -8.670 1.00 0.00 C ATOM 863 O MET A 57 15.485 -8.129 -9.858 1.00 0.00 O ATOM 864 CB MET A 57 13.410 -8.131 -7.520 1.00 0.00 C ATOM 865 CG MET A 57 13.944 -9.229 -6.574 1.00 0.00 C ATOM 866 SD MET A 57 12.928 -10.717 -6.372 1.00 0.00 S ATOM 867 CE MET A 57 11.520 -10.090 -5.448 1.00 0.00 C ATOM 0 H MET A 57 12.993 -6.134 -8.958 1.00 0.00 H new ATOM 0 HA MET A 57 14.898 -6.706 -6.977 1.00 0.00 H new ATOM 0 HB2 MET A 57 12.589 -7.602 -7.036 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.006 -8.592 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 57 14.926 -9.537 -6.934 1.00 0.00 H new ATOM 0 HG3 MET A 57 14.091 -8.784 -5.590 1.00 0.00 H new ATOM 0 HE1 MET A 57 10.684 -10.783 -5.544 1.00 0.00 H new ATOM 0 HE2 MET A 57 11.790 -9.991 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.231 -9.116 -5.842 1.00 0.00 H new ATOM 877 N VAL A 58 16.753 -8.087 -7.986 1.00 0.00 N ATOM 878 CA VAL A 58 17.967 -8.679 -8.536 1.00 0.00 C ATOM 879 C VAL A 58 18.415 -9.876 -7.680 1.00 0.00 C ATOM 880 O VAL A 58 17.987 -10.038 -6.537 1.00 0.00 O ATOM 881 CB VAL A 58 19.044 -7.589 -8.737 1.00 0.00 C ATOM 882 CG1 VAL A 58 18.724 -6.738 -9.979 1.00 0.00 C ATOM 883 CG2 VAL A 58 19.200 -6.646 -7.539 1.00 0.00 C ATOM 0 H VAL A 58 16.831 -7.892 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 58 17.775 -9.090 -9.527 1.00 0.00 H new ATOM 0 HB VAL A 58 19.982 -8.130 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.493 -5.975 -10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 58 18.699 -7.377 -10.861 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.754 -6.258 -9.851 1.00 0.00 H new ATOM 0 HG21 VAL A 58 19.973 -5.909 -7.755 1.00 0.00 H new ATOM 0 HG22 VAL A 58 18.255 -6.136 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 58 19.483 -7.221 -6.657 1.00 0.00 H new ATOM 893 N PHE A 59 19.212 -10.775 -8.262 1.00 0.00 N ATOM 894 CA PHE A 59 19.579 -12.053 -7.656 1.00 0.00 C ATOM 895 C PHE A 59 20.806 -11.925 -6.757 1.00 0.00 C ATOM 896 O PHE A 59 21.833 -11.398 -7.183 1.00 0.00 O ATOM 897 CB PHE A 59 19.802 -13.095 -8.764 1.00 0.00 C ATOM 898 CG PHE A 59 18.614 -14.016 -8.935 1.00 0.00 C ATOM 899 CD1 PHE A 59 18.456 -15.080 -8.035 1.00 0.00 C ATOM 900 CD2 PHE A 59 17.644 -13.801 -9.935 1.00 0.00 C ATOM 901 CE1 PHE A 59 17.324 -15.901 -8.111 1.00 0.00 C ATOM 902 CE2 PHE A 59 16.512 -14.632 -10.007 1.00 0.00 C ATOM 903 CZ PHE A 59 16.329 -15.667 -9.076 1.00 0.00 C ATOM 0 H PHE A 59 19.626 -10.631 -9.183 1.00 0.00 H new ATOM 0 HA PHE A 59 18.761 -12.382 -7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 59 20.001 -12.583 -9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 59 20.687 -13.687 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 59 19.208 -15.266 -7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 59 17.770 -12.998 -10.646 1.00 0.00 H new ATOM 0 HE1 PHE A 59 17.214 -16.724 -7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.778 -14.473 -10.784 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.437 -16.275 -9.101 1.00 0.00 H new ATOM 913 N LEU A 60 20.732 -12.465 -5.536 1.00 0.00 N ATOM 914 CA LEU A 60 21.888 -12.537 -4.643 1.00 0.00 C ATOM 915 C LEU A 60 22.784 -13.705 -5.048 1.00 0.00 C ATOM 916 O LEU A 60 22.367 -14.652 -5.734 1.00 0.00 O ATOM 917 CB LEU A 60 21.471 -12.707 -3.167 1.00 0.00 C ATOM 918 CG LEU A 60 20.771 -11.478 -2.562 1.00 0.00 C ATOM 919 CD1 LEU A 60 20.192 -11.825 -1.191 1.00 0.00 C ATOM 920 CD2 LEU A 60 21.722 -10.297 -2.363 1.00 0.00 C ATOM 0 H LEU A 60 19.877 -12.860 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 60 22.428 -11.595 -4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 60 20.805 -13.566 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 60 22.358 -12.934 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 60 19.992 -11.195 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 60 19.699 -10.948 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 60 19.468 -12.633 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 60 20.996 -12.142 -0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 60 21.175 -9.458 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 60 22.528 -10.588 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 60 22.142 -10.002 -3.325 1.00 0.00 H new ATOM 932 N LYS A 61 24.021 -13.655 -4.554 1.00 0.00 N ATOM 933 CA LYS A 61 25.020 -14.703 -4.711 1.00 0.00 C ATOM 934 C LYS A 61 24.497 -16.026 -4.150 1.00 0.00 C ATOM 935 O LYS A 61 23.621 -16.044 -3.282 1.00 0.00 O ATOM 936 CB LYS A 61 26.309 -14.269 -3.994 1.00 0.00 C ATOM 937 CG LYS A 61 27.542 -14.418 -4.891 1.00 0.00 C ATOM 938 CD LYS A 61 28.805 -13.962 -4.150 1.00 0.00 C ATOM 939 CE LYS A 61 29.215 -14.991 -3.090 1.00 0.00 C ATOM 940 NZ LYS A 61 30.648 -15.334 -3.169 1.00 0.00 N ATOM 0 H LYS A 61 24.362 -12.858 -4.017 1.00 0.00 H new ATOM 0 HA LYS A 61 25.233 -14.857 -5.769 1.00 0.00 H new ATOM 0 HB2 LYS A 61 26.215 -13.231 -3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 61 26.442 -14.867 -3.093 1.00 0.00 H new ATOM 0 HG2 LYS A 61 27.650 -15.458 -5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 61 27.412 -13.828 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS A 61 29.619 -13.822 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 61 28.626 -12.997 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.992 -14.597 -2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.620 -15.895 -3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.879 -16.032 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.858 -15.735 -4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.219 -14.477 -3.024 1.00 0.00 H new ATOM 954 N GLY A 62 25.029 -17.140 -4.638 1.00 0.00 N ATOM 955 CA GLY A 62 24.546 -18.479 -4.335 1.00 0.00 C ATOM 956 C GLY A 62 23.326 -18.853 -5.177 1.00 0.00 C ATOM 957 O GLY A 62 23.096 -20.045 -5.375 1.00 0.00 O ATOM 0 H GLY A 62 25.829 -17.136 -5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.344 -19.201 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 62 24.289 -18.541 -3.277 1.00 0.00 H new ATOM 961 N LYS A 63 22.544 -17.885 -5.683 1.00 0.00 N ATOM 962 CA LYS A 63 21.194 -18.080 -6.239 1.00 0.00 C ATOM 963 C LYS A 63 20.190 -18.536 -5.165 1.00 0.00 C ATOM 964 O LYS A 63 19.077 -18.943 -5.492 1.00 0.00 O ATOM 965 CB LYS A 63 21.248 -18.976 -7.504 1.00 0.00 C ATOM 966 CG LYS A 63 20.057 -18.778 -8.455 1.00 0.00 C ATOM 967 CD LYS A 63 20.324 -19.269 -9.886 1.00 0.00 C ATOM 968 CE LYS A 63 20.390 -20.791 -10.060 1.00 0.00 C ATOM 969 NZ LYS A 63 20.210 -21.179 -11.481 1.00 0.00 N ATOM 0 H LYS A 63 22.845 -16.911 -5.718 1.00 0.00 H new ATOM 0 HA LYS A 63 20.806 -17.119 -6.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 22.171 -18.769 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.286 -20.021 -7.196 1.00 0.00 H new ATOM 0 HG2 LYS A 63 19.191 -19.306 -8.054 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.799 -17.719 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 63 19.541 -18.880 -10.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.266 -18.840 -10.229 1.00 0.00 H new ATOM 0 HE2 LYS A 63 21.350 -21.159 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 19.619 -21.263 -9.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 20.259 -22.214 -11.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 19.283 -20.848 -11.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 20.961 -20.747 -12.057 1.00 0.00 H new ATOM 983 N LEU A 64 20.564 -18.441 -3.883 1.00 0.00 N ATOM 984 CA LEU A 64 19.770 -18.806 -2.703 1.00 0.00 C ATOM 985 C LEU A 64 19.329 -17.505 -2.016 1.00 0.00 C ATOM 986 O LEU A 64 19.334 -17.364 -0.791 1.00 0.00 O ATOM 987 CB LEU A 64 20.576 -19.767 -1.789 1.00 0.00 C ATOM 988 CG LEU A 64 20.730 -21.247 -2.238 1.00 0.00 C ATOM 989 CD1 LEU A 64 19.843 -22.159 -1.387 1.00 0.00 C ATOM 990 CD2 LEU A 64 20.443 -21.510 -3.703 1.00 0.00 C ATOM 0 H LEU A 64 21.485 -18.086 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 64 18.871 -19.360 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 64 21.576 -19.350 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 64 20.106 -19.764 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 64 21.787 -21.470 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 64 19.963 -23.192 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 64 20.133 -22.074 -0.340 1.00 0.00 H new ATOM 0 HD13 LEU A 64 18.801 -21.861 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.578 -22.570 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 64 19.416 -21.222 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 64 21.128 -20.926 -4.318 1.00 0.00 H new ATOM 1002 N GLY A 65 18.971 -16.508 -2.825 1.00 0.00 N ATOM 1003 CA GLY A 65 18.421 -15.257 -2.362 1.00 0.00 C ATOM 1004 C GLY A 65 18.244 -14.294 -3.519 1.00 0.00 C ATOM 1005 O GLY A 65 18.751 -14.513 -4.622 1.00 0.00 O ATOM 0 H GLY A 65 19.062 -16.559 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 65 17.461 -15.433 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 65 19.081 -14.818 -1.613 1.00 0.00 H new ATOM 1009 N VAL A 66 17.567 -13.195 -3.233 1.00 0.00 N ATOM 1010 CA VAL A 66 17.328 -12.059 -4.103 1.00 0.00 C ATOM 1011 C VAL A 66 17.341 -10.820 -3.201 1.00 0.00 C ATOM 1012 O VAL A 66 17.260 -10.939 -1.977 1.00 0.00 O ATOM 1013 CB VAL A 66 15.984 -12.256 -4.832 1.00 0.00 C ATOM 1014 CG1 VAL A 66 16.110 -13.069 -6.134 1.00 0.00 C ATOM 1015 CG2 VAL A 66 14.808 -12.496 -3.868 1.00 0.00 C ATOM 0 H VAL A 66 17.138 -13.065 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 66 18.086 -11.948 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 66 15.661 -11.309 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.128 -13.170 -6.596 1.00 0.00 H new ATOM 0 HG12 VAL A 66 16.783 -12.555 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 66 16.508 -14.058 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.890 -12.627 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.999 -13.392 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.702 -11.639 -3.203 1.00 0.00 H new ATOM 1025 N CYS A 67 17.445 -9.633 -3.776 1.00 0.00 N ATOM 1026 CA CYS A 67 17.302 -8.374 -3.068 1.00 0.00 C ATOM 1027 C CYS A 67 16.518 -7.423 -3.962 1.00 0.00 C ATOM 1028 O CYS A 67 16.402 -7.648 -5.172 1.00 0.00 O ATOM 1029 CB CYS A 67 18.675 -7.810 -2.672 1.00 0.00 C ATOM 1030 SG CYS A 67 19.855 -7.893 -4.048 1.00 0.00 S ATOM 0 H CYS A 67 17.636 -9.517 -4.771 1.00 0.00 H new ATOM 0 HA CYS A 67 16.757 -8.516 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 67 18.564 -6.775 -2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.067 -8.369 -1.822 1.00 0.00 H new ATOM 0 HG CYS A 67 20.999 -7.404 -3.669 1.00 0.00 H new ATOM 1036 N PHE A 68 15.939 -6.392 -3.363 1.00 0.00 N ATOM 1037 CA PHE A 68 15.183 -5.372 -4.078 1.00 0.00 C ATOM 1038 C PHE A 68 15.127 -4.091 -3.252 1.00 0.00 C ATOM 1039 O PHE A 68 15.421 -4.131 -2.057 1.00 0.00 O ATOM 1040 CB PHE A 68 13.779 -5.890 -4.418 1.00 0.00 C ATOM 1041 CG PHE A 68 12.934 -6.433 -3.280 1.00 0.00 C ATOM 1042 CD1 PHE A 68 12.977 -7.798 -2.943 1.00 0.00 C ATOM 1043 CD2 PHE A 68 12.046 -5.589 -2.598 1.00 0.00 C ATOM 1044 CE1 PHE A 68 12.114 -8.315 -1.960 1.00 0.00 C ATOM 1045 CE2 PHE A 68 11.201 -6.090 -1.593 1.00 0.00 C ATOM 1046 CZ PHE A 68 11.228 -7.459 -1.280 1.00 0.00 C ATOM 0 H PHE A 68 15.981 -6.238 -2.356 1.00 0.00 H new ATOM 0 HA PHE A 68 15.685 -5.143 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 68 13.226 -5.077 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 68 13.883 -6.678 -5.164 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.676 -8.453 -3.442 1.00 0.00 H new ATOM 0 HD2 PHE A 68 12.011 -4.539 -2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.131 -9.369 -1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 68 10.534 -5.426 -1.064 1.00 0.00 H new ATOM 0 HZ PHE A 68 10.571 -7.854 -0.519 1.00 0.00 H new ATOM 1056 N ASP A 69 14.741 -2.983 -3.885 1.00 0.00 N ATOM 1057 CA ASP A 69 14.614 -1.658 -3.291 1.00 0.00 C ATOM 1058 C ASP A 69 13.133 -1.408 -3.037 1.00 0.00 C ATOM 1059 O ASP A 69 12.320 -1.625 -3.948 1.00 0.00 O ATOM 1060 CB ASP A 69 15.093 -0.532 -4.236 1.00 0.00 C ATOM 1061 CG ASP A 69 16.445 -0.708 -4.933 1.00 0.00 C ATOM 1062 OD1 ASP A 69 16.482 -1.291 -6.047 1.00 0.00 O ATOM 1063 OD2 ASP A 69 17.451 -0.129 -4.458 1.00 0.00 O ATOM 0 H ASP A 69 14.497 -2.989 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 69 15.224 -1.640 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 69 14.334 -0.397 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 69 15.131 0.393 -3.661 1.00 0.00 H new ATOM 1068 N VAL A 70 12.787 -0.859 -1.869 1.00 0.00 N ATOM 1069 CA VAL A 70 11.483 -0.233 -1.639 1.00 0.00 C ATOM 1070 C VAL A 70 11.661 1.153 -1.009 1.00 0.00 C ATOM 1071 O VAL A 70 12.698 1.415 -0.397 1.00 0.00 O ATOM 1072 CB VAL A 70 10.550 -1.135 -0.798 1.00 0.00 C ATOM 1073 CG1 VAL A 70 10.057 -2.307 -1.647 1.00 0.00 C ATOM 1074 CG2 VAL A 70 11.128 -1.635 0.539 1.00 0.00 C ATOM 0 H VAL A 70 13.403 -0.836 -1.057 1.00 0.00 H new ATOM 0 HA VAL A 70 10.995 -0.104 -2.605 1.00 0.00 H new ATOM 0 HB VAL A 70 9.720 -0.492 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.400 -2.939 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.509 -1.927 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.910 -2.892 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.390 -2.258 1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.028 -2.220 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.376 -0.782 1.170 1.00 0.00 H new ATOM 1084 N PRO A 71 10.679 2.062 -1.149 1.00 0.00 N ATOM 1085 CA PRO A 71 10.711 3.354 -0.483 1.00 0.00 C ATOM 1086 C PRO A 71 10.737 3.179 1.031 1.00 0.00 C ATOM 1087 O PRO A 71 9.985 2.366 1.559 1.00 0.00 O ATOM 1088 CB PRO A 71 9.449 4.093 -0.922 1.00 0.00 C ATOM 1089 CG PRO A 71 8.541 3.018 -1.495 1.00 0.00 C ATOM 1090 CD PRO A 71 9.505 1.957 -1.999 1.00 0.00 C ATOM 0 HA PRO A 71 11.607 3.914 -0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.977 4.601 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.677 4.855 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.867 2.618 -0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.919 3.408 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.062 0.963 -1.935 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.762 2.125 -3.045 1.00 0.00 H new ATOM 1098 N THR A 72 11.522 3.993 1.729 1.00 0.00 N ATOM 1099 CA THR A 72 11.703 4.036 3.175 1.00 0.00 C ATOM 1100 C THR A 72 10.376 3.991 3.953 1.00 0.00 C ATOM 1101 O THR A 72 10.273 3.290 4.962 1.00 0.00 O ATOM 1102 CB THR A 72 12.537 5.286 3.486 1.00 0.00 C ATOM 1103 OG1 THR A 72 13.728 5.290 2.732 1.00 0.00 O ATOM 1104 CG2 THR A 72 12.932 5.364 4.942 1.00 0.00 C ATOM 0 H THR A 72 12.094 4.696 1.260 1.00 0.00 H new ATOM 0 HA THR A 72 12.227 3.141 3.511 1.00 0.00 H new ATOM 0 HB THR A 72 11.906 6.138 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 72 14.429 5.760 3.230 1.00 0.00 H new ATOM 0 HG21 THR A 72 13.521 6.266 5.112 1.00 0.00 H new ATOM 0 HG22 THR A 72 12.035 5.394 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.525 4.489 5.205 1.00 0.00 H new ATOM 1112 N ALA A 73 9.331 4.668 3.465 1.00 0.00 N ATOM 1113 CA ALA A 73 8.011 4.581 4.073 1.00 0.00 C ATOM 1114 C ALA A 73 7.523 3.126 4.122 1.00 0.00 C ATOM 1115 O ALA A 73 7.062 2.653 5.165 1.00 0.00 O ATOM 1116 CB ALA A 73 7.037 5.479 3.306 1.00 0.00 C ATOM 0 H ALA A 73 9.380 5.280 2.651 1.00 0.00 H new ATOM 0 HA ALA A 73 8.066 4.931 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.048 5.415 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.387 6.511 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.981 5.152 2.268 1.00 0.00 H new ATOM 1122 N SER A 74 7.647 2.406 3.007 1.00 0.00 N ATOM 1123 CA SER A 74 7.213 1.021 2.882 1.00 0.00 C ATOM 1124 C SER A 74 8.234 0.026 3.458 1.00 0.00 C ATOM 1125 O SER A 74 7.834 -1.047 3.902 1.00 0.00 O ATOM 1126 CB SER A 74 6.932 0.722 1.411 1.00 0.00 C ATOM 1127 OG SER A 74 6.000 1.657 0.880 1.00 0.00 O ATOM 0 H SER A 74 8.060 2.779 2.152 1.00 0.00 H new ATOM 0 HA SER A 74 6.304 0.895 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.861 0.763 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.539 -0.290 1.308 1.00 0.00 H new ATOM 0 HG SER A 74 5.833 1.452 -0.064 1.00 0.00 H new ATOM 1133 N VAL A 75 9.523 0.378 3.553 1.00 0.00 N ATOM 1134 CA VAL A 75 10.559 -0.406 4.244 1.00 0.00 C ATOM 1135 C VAL A 75 10.068 -0.731 5.656 1.00 0.00 C ATOM 1136 O VAL A 75 10.099 -1.893 6.073 1.00 0.00 O ATOM 1137 CB VAL A 75 11.899 0.374 4.225 1.00 0.00 C ATOM 1138 CG1 VAL A 75 13.033 -0.178 5.101 1.00 0.00 C ATOM 1139 CG2 VAL A 75 12.438 0.500 2.792 1.00 0.00 C ATOM 0 H VAL A 75 9.885 1.238 3.141 1.00 0.00 H new ATOM 0 HA VAL A 75 10.744 -1.353 3.737 1.00 0.00 H new ATOM 0 HB VAL A 75 11.622 1.336 4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.913 0.456 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.714 -0.191 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.277 -1.192 4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 75 13.378 1.051 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.605 -0.494 2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.713 1.033 2.176 1.00 0.00 H new ATOM 1149 N THR A 76 9.545 0.278 6.357 1.00 0.00 N ATOM 1150 CA THR A 76 9.022 0.132 7.706 1.00 0.00 C ATOM 1151 C THR A 76 7.631 -0.524 7.728 1.00 0.00 C ATOM 1152 O THR A 76 7.163 -0.926 8.792 1.00 0.00 O ATOM 1153 CB THR A 76 9.004 1.528 8.364 1.00 0.00 C ATOM 1154 OG1 THR A 76 10.248 2.178 8.173 1.00 0.00 O ATOM 1155 CG2 THR A 76 8.759 1.500 9.876 1.00 0.00 C ATOM 0 H THR A 76 9.475 1.229 5.994 1.00 0.00 H new ATOM 0 HA THR A 76 9.668 -0.540 8.271 1.00 0.00 H new ATOM 0 HB THR A 76 8.179 2.053 7.883 1.00 0.00 H new ATOM 0 HG1 THR A 76 10.223 3.063 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.761 2.519 10.264 1.00 0.00 H new ATOM 0 HG22 THR A 76 7.794 1.036 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 76 9.548 0.926 10.362 1.00 0.00 H new ATOM 1163 N GLU A 77 6.929 -0.648 6.604 1.00 0.00 N ATOM 1164 CA GLU A 77 5.669 -1.384 6.544 1.00 0.00 C ATOM 1165 C GLU A 77 5.962 -2.883 6.579 1.00 0.00 C ATOM 1166 O GLU A 77 5.405 -3.621 7.391 1.00 0.00 O ATOM 1167 CB GLU A 77 4.906 -0.939 5.293 1.00 0.00 C ATOM 1168 CG GLU A 77 3.471 -1.458 5.219 1.00 0.00 C ATOM 1169 CD GLU A 77 2.729 -0.706 4.112 1.00 0.00 C ATOM 1170 OE1 GLU A 77 3.062 -0.916 2.919 1.00 0.00 O ATOM 1171 OE2 GLU A 77 1.876 0.143 4.455 1.00 0.00 O ATOM 0 H GLU A 77 7.216 -0.243 5.713 1.00 0.00 H new ATOM 0 HA GLU A 77 5.034 -1.171 7.404 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.889 0.150 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.449 -1.277 4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.467 -2.529 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.968 -1.314 6.175 1.00 0.00 H new ATOM 1178 N ILE A 78 6.884 -3.323 5.723 1.00 0.00 N ATOM 1179 CA ILE A 78 7.122 -4.723 5.402 1.00 0.00 C ATOM 1180 C ILE A 78 7.521 -5.492 6.654 1.00 0.00 C ATOM 1181 O ILE A 78 6.972 -6.562 6.885 1.00 0.00 O ATOM 1182 CB ILE A 78 8.179 -4.821 4.283 1.00 0.00 C ATOM 1183 CG1 ILE A 78 7.660 -4.181 2.975 1.00 0.00 C ATOM 1184 CG2 ILE A 78 8.579 -6.274 3.987 1.00 0.00 C ATOM 1185 CD1 ILE A 78 8.802 -3.585 2.159 1.00 0.00 C ATOM 0 H ILE A 78 7.505 -2.690 5.219 1.00 0.00 H new ATOM 0 HA ILE A 78 6.206 -5.182 5.031 1.00 0.00 H new ATOM 0 HB ILE A 78 9.055 -4.282 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.140 -4.933 2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.934 -3.403 3.211 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.325 -6.291 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.996 -6.727 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.700 -6.836 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.404 -3.143 1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.305 -2.816 2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.514 -4.370 1.902 1.00 0.00 H new ATOM 1197 N GLN A 79 8.463 -4.980 7.451 1.00 0.00 N ATOM 1198 CA GLN A 79 9.002 -5.758 8.566 1.00 0.00 C ATOM 1199 C GLN A 79 8.024 -5.841 9.737 1.00 0.00 C ATOM 1200 O GLN A 79 8.176 -6.716 10.582 1.00 0.00 O ATOM 1201 CB GLN A 79 10.359 -5.226 9.026 1.00 0.00 C ATOM 1202 CG GLN A 79 11.303 -5.105 7.823 1.00 0.00 C ATOM 1203 CD GLN A 79 12.767 -5.290 8.200 1.00 0.00 C ATOM 1204 OE1 GLN A 79 13.299 -4.582 9.046 1.00 0.00 O ATOM 1205 NE2 GLN A 79 13.476 -6.226 7.588 1.00 0.00 N ATOM 0 H GLN A 79 8.861 -4.047 7.347 1.00 0.00 H new ATOM 0 HA GLN A 79 9.150 -6.771 8.192 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.236 -4.254 9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.789 -5.895 9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.028 -5.849 7.075 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.172 -4.126 7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.038 -6.818 6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 79 14.460 -6.355 7.822 1.00 0.00 H new ATOM 1214 N GLU A 80 7.011 -4.975 9.808 1.00 0.00 N ATOM 1215 CA GLU A 80 5.900 -5.185 10.720 1.00 0.00 C ATOM 1216 C GLU A 80 4.889 -6.152 10.098 1.00 0.00 C ATOM 1217 O GLU A 80 4.349 -7.023 10.786 1.00 0.00 O ATOM 1218 CB GLU A 80 5.278 -3.829 11.063 1.00 0.00 C ATOM 1219 CG GLU A 80 5.864 -3.311 12.384 1.00 0.00 C ATOM 1220 CD GLU A 80 5.145 -2.080 12.941 1.00 0.00 C ATOM 1221 OE1 GLU A 80 4.736 -1.199 12.149 1.00 0.00 O ATOM 1222 OE2 GLU A 80 5.053 -1.985 14.184 1.00 0.00 O ATOM 0 H GLU A 80 6.943 -4.127 9.245 1.00 0.00 H new ATOM 0 HA GLU A 80 6.246 -5.642 11.647 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.473 -3.115 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.196 -3.925 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.824 -4.109 13.125 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.916 -3.068 12.233 1.00 0.00 H new ATOM 1229 N LYS A 81 4.664 -6.064 8.789 1.00 0.00 N ATOM 1230 CA LYS A 81 3.787 -6.960 8.049 1.00 0.00 C ATOM 1231 C LYS A 81 4.478 -8.257 7.608 1.00 0.00 C ATOM 1232 O LYS A 81 3.985 -8.912 6.692 1.00 0.00 O ATOM 1233 CB LYS A 81 3.155 -6.189 6.874 1.00 0.00 C ATOM 1234 CG LYS A 81 1.888 -5.416 7.271 1.00 0.00 C ATOM 1235 CD LYS A 81 0.613 -6.270 7.135 1.00 0.00 C ATOM 1236 CE LYS A 81 0.573 -7.475 8.079 1.00 0.00 C ATOM 1237 NZ LYS A 81 -0.691 -8.233 8.012 1.00 0.00 N ATOM 0 H LYS A 81 5.097 -5.351 8.203 1.00 0.00 H new ATOM 0 HA LYS A 81 2.994 -7.294 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.888 -5.490 6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.910 -6.891 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.983 -5.072 8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.796 -4.528 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -0.256 -5.641 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.531 -6.623 6.107 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.401 -8.142 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.727 -7.131 9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -0.651 -9.034 8.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.483 -7.610 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -0.831 -8.590 7.045 1.00 0.00 H new ATOM 1251 N TRP A 82 5.540 -8.711 8.269 1.00 0.00 N ATOM 1252 CA TRP A 82 6.197 -9.981 7.985 1.00 0.00 C ATOM 1253 C TRP A 82 6.341 -10.782 9.276 1.00 0.00 C ATOM 1254 O TRP A 82 6.569 -10.197 10.337 1.00 0.00 O ATOM 1255 CB TRP A 82 7.554 -9.714 7.333 1.00 0.00 C ATOM 1256 CG TRP A 82 8.325 -10.953 7.018 1.00 0.00 C ATOM 1257 CD1 TRP A 82 9.304 -11.468 7.790 1.00 0.00 C ATOM 1258 CD2 TRP A 82 8.162 -11.875 5.900 1.00 0.00 C ATOM 1259 NE1 TRP A 82 9.777 -12.631 7.214 1.00 0.00 N ATOM 1260 CE2 TRP A 82 9.090 -12.947 6.057 1.00 0.00 C ATOM 1261 CE3 TRP A 82 7.322 -11.906 4.766 1.00 0.00 C ATOM 1262 CZ2 TRP A 82 9.194 -13.987 5.116 1.00 0.00 C ATOM 1263 CZ3 TRP A 82 7.415 -12.944 3.819 1.00 0.00 C ATOM 1264 CH2 TRP A 82 8.358 -13.973 3.980 1.00 0.00 C ATOM 0 H TRP A 82 5.976 -8.194 9.033 1.00 0.00 H new ATOM 0 HA TRP A 82 5.597 -10.570 7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 82 7.400 -9.149 6.413 1.00 0.00 H new ATOM 0 HB3 TRP A 82 8.148 -9.086 7.997 1.00 0.00 H new ATOM 0 HD1 TRP A 82 9.662 -11.038 8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 82 10.541 -13.189 7.596 1.00 0.00 H new ATOM 0 HE3 TRP A 82 6.595 -11.120 4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 9.905 -14.787 5.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 6.757 -12.949 2.963 1.00 0.00 H new ATOM 0 HH2 TRP A 82 8.443 -14.751 3.236 1.00 0.00 H new ATOM 1275 N HIS A 83 6.244 -12.113 9.184 1.00 0.00 N ATOM 1276 CA HIS A 83 6.593 -13.031 10.260 1.00 0.00 C ATOM 1277 C HIS A 83 7.616 -14.015 9.700 1.00 0.00 C ATOM 1278 O HIS A 83 7.367 -14.675 8.688 1.00 0.00 O ATOM 1279 CB HIS A 83 5.337 -13.701 10.837 1.00 0.00 C ATOM 1280 CG HIS A 83 4.392 -12.668 11.400 1.00 0.00 C ATOM 1281 ND1 HIS A 83 4.586 -11.916 12.534 1.00 0.00 N ATOM 1282 CD2 HIS A 83 3.292 -12.165 10.764 1.00 0.00 C ATOM 1283 CE1 HIS A 83 3.645 -10.961 12.560 1.00 0.00 C ATOM 1284 NE2 HIS A 83 2.839 -11.058 11.489 1.00 0.00 N ATOM 0 H HIS A 83 5.914 -12.585 8.342 1.00 0.00 H new ATOM 0 HA HIS A 83 7.041 -12.509 11.105 1.00 0.00 H new ATOM 0 HB2 HIS A 83 4.834 -14.275 10.058 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.621 -14.406 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.849 -12.554 9.859 1.00 0.00 H new ATOM 0 HE1 HIS A 83 3.548 -10.216 13.336 1.00 0.00 H new ATOM 0 HE2 HIS A 83 2.056 -10.448 11.253 1.00 0.00 H new ATOM 1292 N ASP A 84 8.794 -14.042 10.328 1.00 0.00 N ATOM 1293 CA ASP A 84 9.908 -14.911 9.956 1.00 0.00 C ATOM 1294 C ASP A 84 9.442 -16.361 9.896 1.00 0.00 C ATOM 1295 O ASP A 84 8.601 -16.772 10.696 1.00 0.00 O ATOM 1296 CB ASP A 84 11.073 -14.745 10.940 1.00 0.00 C ATOM 1297 CG ASP A 84 10.881 -15.523 12.248 1.00 0.00 C ATOM 1298 OD1 ASP A 84 10.130 -15.037 13.130 1.00 0.00 O ATOM 1299 OD2 ASP A 84 11.522 -16.587 12.431 1.00 0.00 O ATOM 0 H ASP A 84 9.002 -13.445 11.128 1.00 0.00 H new ATOM 0 HA ASP A 84 10.265 -14.624 8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.994 -15.077 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.197 -13.687 11.170 1.00 0.00 H new ATOM 1304 N SER A 85 9.946 -17.125 8.925 1.00 0.00 N ATOM 1305 CA SER A 85 9.306 -18.360 8.519 1.00 0.00 C ATOM 1306 C SER A 85 10.300 -19.519 8.429 1.00 0.00 C ATOM 1307 O SER A 85 11.507 -19.315 8.284 1.00 0.00 O ATOM 1308 CB SER A 85 8.602 -18.143 7.171 1.00 0.00 C ATOM 1309 OG SER A 85 8.322 -16.785 6.843 1.00 0.00 O ATOM 0 H SER A 85 10.797 -16.902 8.409 1.00 0.00 H new ATOM 0 HA SER A 85 8.573 -18.633 9.278 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.222 -18.570 6.383 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.665 -18.699 7.175 1.00 0.00 H new ATOM 0 HG SER A 85 7.960 -16.326 7.630 1.00 0.00 H new ATOM 1315 N ARG A 86 9.761 -20.741 8.394 1.00 0.00 N ATOM 1316 CA ARG A 86 10.427 -22.052 8.344 1.00 0.00 C ATOM 1317 C ARG A 86 11.485 -22.265 7.257 1.00 0.00 C ATOM 1318 O ARG A 86 12.075 -23.346 7.195 1.00 0.00 O ATOM 1319 CB ARG A 86 9.314 -23.110 8.216 1.00 0.00 C ATOM 1320 CG ARG A 86 8.733 -23.460 9.589 1.00 0.00 C ATOM 1321 CD ARG A 86 7.386 -24.177 9.471 1.00 0.00 C ATOM 1322 NE ARG A 86 6.269 -23.335 9.914 1.00 0.00 N ATOM 1323 CZ ARG A 86 5.014 -23.752 10.102 1.00 0.00 C ATOM 1324 NH1 ARG A 86 4.633 -24.959 9.696 1.00 0.00 N ATOM 1325 NH2 ARG A 86 4.141 -22.955 10.710 1.00 0.00 N ATOM 0 H ARG A 86 8.747 -20.851 8.401 1.00 0.00 H new ATOM 0 HA ARG A 86 11.012 -22.131 9.260 1.00 0.00 H new ATOM 0 HB2 ARG A 86 8.523 -22.735 7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 86 9.713 -24.009 7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.436 -24.094 10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.610 -22.549 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.225 -24.476 8.435 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.409 -25.090 10.066 1.00 0.00 H new ATOM 0 HE ARG A 86 6.467 -22.351 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.302 -25.577 9.236 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.672 -25.267 9.845 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.431 -22.031 11.030 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.181 -23.268 10.857 1.00 0.00 H new ATOM 1339 N ARG A 87 11.722 -21.299 6.376 1.00 0.00 N ATOM 1340 CA ARG A 87 12.736 -21.369 5.332 1.00 0.00 C ATOM 1341 C ARG A 87 13.103 -19.977 4.843 1.00 0.00 C ATOM 1342 O ARG A 87 14.254 -19.742 4.476 1.00 0.00 O ATOM 1343 CB ARG A 87 12.183 -22.230 4.182 1.00 0.00 C ATOM 1344 CG ARG A 87 13.334 -22.993 3.530 1.00 0.00 C ATOM 1345 CD ARG A 87 12.871 -23.918 2.407 1.00 0.00 C ATOM 1346 NE ARG A 87 13.748 -25.098 2.325 1.00 0.00 N ATOM 1347 CZ ARG A 87 13.440 -26.338 1.936 1.00 0.00 C ATOM 1348 NH1 ARG A 87 12.232 -26.644 1.466 1.00 0.00 N ATOM 1349 NH2 ARG A 87 14.378 -27.272 2.028 1.00 0.00 N ATOM 0 H ARG A 87 11.200 -20.423 6.369 1.00 0.00 H new ATOM 0 HA ARG A 87 13.646 -21.821 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.436 -22.928 4.560 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.685 -21.599 3.446 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.057 -22.281 3.133 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.850 -23.581 4.289 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.843 -24.232 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.880 -23.382 1.458 1.00 0.00 H new ATOM 0 HE ARG A 87 14.718 -24.949 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.514 -25.923 1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.025 -27.600 1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 87 15.302 -27.033 2.388 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.175 -28.229 1.739 1.00 0.00 H new ATOM 1363 N TRP A 88 12.128 -19.069 4.836 1.00 0.00 N ATOM 1364 CA TRP A 88 12.256 -17.723 4.334 1.00 0.00 C ATOM 1365 C TRP A 88 12.507 -16.806 5.513 1.00 0.00 C ATOM 1366 O TRP A 88 11.789 -16.863 6.511 1.00 0.00 O ATOM 1367 CB TRP A 88 10.972 -17.343 3.594 1.00 0.00 C ATOM 1368 CG TRP A 88 10.808 -18.096 2.313 1.00 0.00 C ATOM 1369 CD1 TRP A 88 10.212 -19.299 2.156 1.00 0.00 C ATOM 1370 CD2 TRP A 88 11.269 -17.704 0.991 1.00 0.00 C ATOM 1371 NE1 TRP A 88 10.303 -19.697 0.837 1.00 0.00 N ATOM 1372 CE2 TRP A 88 10.966 -18.754 0.077 1.00 0.00 C ATOM 1373 CE3 TRP A 88 11.907 -16.558 0.477 1.00 0.00 C ATOM 1374 CZ2 TRP A 88 11.337 -18.683 -1.272 1.00 0.00 C ATOM 1375 CZ3 TRP A 88 12.333 -16.504 -0.860 1.00 0.00 C ATOM 1376 CH2 TRP A 88 12.048 -17.564 -1.733 1.00 0.00 C ATOM 0 H TRP A 88 11.195 -19.270 5.196 1.00 0.00 H new ATOM 0 HA TRP A 88 13.087 -17.636 3.634 1.00 0.00 H new ATOM 0 HB2 TRP A 88 10.114 -17.536 4.238 1.00 0.00 H new ATOM 0 HB3 TRP A 88 10.979 -16.273 3.385 1.00 0.00 H new ATOM 0 HD1 TRP A 88 9.736 -19.864 2.944 1.00 0.00 H new ATOM 0 HE1 TRP A 88 9.929 -20.573 0.472 1.00 0.00 H new ATOM 0 HE3 TRP A 88 12.071 -15.707 1.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 11.078 -19.482 -1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 12.881 -15.645 -1.217 1.00 0.00 H new ATOM 0 HH2 TRP A 88 12.376 -17.519 -2.761 1.00 0.00 H new ATOM 1387 N GLN A 89 13.515 -15.954 5.385 1.00 0.00 N ATOM 1388 CA GLN A 89 13.775 -14.872 6.315 1.00 0.00 C ATOM 1389 C GLN A 89 14.040 -13.625 5.480 1.00 0.00 C ATOM 1390 O GLN A 89 14.542 -13.708 4.353 1.00 0.00 O ATOM 1391 CB GLN A 89 14.973 -15.201 7.211 1.00 0.00 C ATOM 1392 CG GLN A 89 14.822 -16.467 8.069 1.00 0.00 C ATOM 1393 CD GLN A 89 13.978 -16.325 9.311 1.00 0.00 C ATOM 1394 OE1 GLN A 89 14.313 -15.534 10.191 1.00 0.00 O ATOM 1395 NE2 GLN A 89 12.959 -17.149 9.484 1.00 0.00 N ATOM 0 H GLN A 89 14.185 -15.999 4.617 1.00 0.00 H new ATOM 0 HA GLN A 89 12.924 -14.716 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.857 -15.311 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.155 -14.354 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.392 -17.253 7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.816 -16.802 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 89 12.696 -17.798 8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 89 12.435 -17.136 10.359 1.00 0.00 H new ATOM 1404 N LEU A 90 13.692 -12.480 6.052 1.00 0.00 N ATOM 1405 CA LEU A 90 13.801 -11.159 5.451 1.00 0.00 C ATOM 1406 C LEU A 90 14.854 -10.373 6.222 1.00 0.00 C ATOM 1407 O LEU A 90 14.936 -10.474 7.448 1.00 0.00 O ATOM 1408 CB LEU A 90 12.439 -10.434 5.522 1.00 0.00 C ATOM 1409 CG LEU A 90 11.788 -10.223 4.146 1.00 0.00 C ATOM 1410 CD1 LEU A 90 11.242 -11.527 3.547 1.00 0.00 C ATOM 1411 CD2 LEU A 90 10.644 -9.211 4.271 1.00 0.00 C ATOM 0 H LEU A 90 13.307 -12.447 6.996 1.00 0.00 H new ATOM 0 HA LEU A 90 14.089 -11.243 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.761 -11.010 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 90 12.576 -9.466 6.003 1.00 0.00 H new ATOM 0 HG LEU A 90 12.563 -9.850 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.793 -11.321 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 90 12.057 -12.241 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.488 -11.946 4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.182 -9.061 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.899 -9.589 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.036 -8.262 4.636 1.00 0.00 H new ATOM 1423 N SER A 91 15.618 -9.534 5.532 1.00 0.00 N ATOM 1424 CA SER A 91 16.609 -8.657 6.143 1.00 0.00 C ATOM 1425 C SER A 91 16.561 -7.288 5.454 1.00 0.00 C ATOM 1426 O SER A 91 15.945 -7.160 4.392 1.00 0.00 O ATOM 1427 CB SER A 91 18.011 -9.306 6.130 1.00 0.00 C ATOM 1428 OG SER A 91 18.035 -10.658 5.680 1.00 0.00 O ATOM 0 H SER A 91 15.565 -9.443 4.517 1.00 0.00 H new ATOM 0 HA SER A 91 16.373 -8.502 7.196 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.666 -8.713 5.492 1.00 0.00 H new ATOM 0 HB3 SER A 91 18.425 -9.265 7.137 1.00 0.00 H new ATOM 0 HG SER A 91 18.956 -10.993 5.700 1.00 0.00 H new ATOM 1434 N VAL A 92 17.178 -6.262 6.039 1.00 0.00 N ATOM 1435 CA VAL A 92 17.152 -4.891 5.529 1.00 0.00 C ATOM 1436 C VAL A 92 18.588 -4.382 5.387 1.00 0.00 C ATOM 1437 O VAL A 92 19.505 -4.884 6.049 1.00 0.00 O ATOM 1438 CB VAL A 92 16.251 -4.023 6.436 1.00 0.00 C ATOM 1439 CG1 VAL A 92 16.857 -3.776 7.823 1.00 0.00 C ATOM 1440 CG2 VAL A 92 15.878 -2.678 5.802 1.00 0.00 C ATOM 0 H VAL A 92 17.720 -6.362 6.897 1.00 0.00 H new ATOM 0 HA VAL A 92 16.711 -4.841 4.533 1.00 0.00 H new ATOM 0 HB VAL A 92 15.342 -4.613 6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 92 16.177 -3.161 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 92 17.013 -4.730 8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 92 17.812 -3.262 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.245 -2.116 6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.785 -2.109 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 92 15.339 -2.852 4.871 1.00 0.00 H new ATOM 1450 N ALA A 93 18.788 -3.397 4.514 1.00 0.00 N ATOM 1451 CA ALA A 93 20.095 -2.828 4.250 1.00 0.00 C ATOM 1452 C ALA A 93 20.624 -2.050 5.461 1.00 0.00 C ATOM 1453 O ALA A 93 19.899 -1.719 6.406 1.00 0.00 O ATOM 1454 CB ALA A 93 20.024 -1.948 3.000 1.00 0.00 C ATOM 0 H ALA A 93 18.038 -2.972 3.969 1.00 0.00 H new ATOM 0 HA ALA A 93 20.802 -3.637 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 93 21.006 -1.520 2.800 1.00 0.00 H new ATOM 0 HB2 ALA A 93 19.711 -2.551 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 93 19.304 -1.146 3.160 1.00 0.00 H new ATOM 1460 N THR A 94 21.918 -1.762 5.421 1.00 0.00 N ATOM 1461 CA THR A 94 22.638 -1.017 6.447 1.00 0.00 C ATOM 1462 C THR A 94 22.597 0.485 6.114 1.00 0.00 C ATOM 1463 O THR A 94 22.647 1.345 6.992 1.00 0.00 O ATOM 1464 CB THR A 94 24.086 -1.532 6.484 1.00 0.00 C ATOM 1465 OG1 THR A 94 24.164 -2.942 6.315 1.00 0.00 O ATOM 1466 CG2 THR A 94 24.765 -1.200 7.809 1.00 0.00 C ATOM 0 H THR A 94 22.517 -2.050 4.647 1.00 0.00 H new ATOM 0 HA THR A 94 22.178 -1.159 7.425 1.00 0.00 H new ATOM 0 HB THR A 94 24.590 -1.032 5.657 1.00 0.00 H new ATOM 0 HG1 THR A 94 25.102 -3.223 6.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.787 -1.579 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.780 -0.119 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.214 -1.664 8.627 1.00 0.00 H new ATOM 1474 N GLU A 95 22.484 0.807 4.830 1.00 0.00 N ATOM 1475 CA GLU A 95 22.278 2.097 4.212 1.00 0.00 C ATOM 1476 C GLU A 95 21.556 1.723 2.935 1.00 0.00 C ATOM 1477 O GLU A 95 20.372 2.079 2.806 1.00 0.00 O ATOM 1478 CB GLU A 95 23.635 2.753 3.916 1.00 0.00 C ATOM 1479 CG GLU A 95 23.542 4.060 3.115 1.00 0.00 C ATOM 1480 CD GLU A 95 24.902 4.402 2.490 1.00 0.00 C ATOM 1481 OE1 GLU A 95 25.925 4.427 3.224 1.00 0.00 O ATOM 1482 OE2 GLU A 95 24.993 4.613 1.259 1.00 0.00 O ATOM 0 H GLU A 95 22.543 0.077 4.120 1.00 0.00 H new ATOM 0 HA GLU A 95 21.727 2.812 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 95 24.142 2.954 4.860 1.00 0.00 H new ATOM 0 HB3 GLU A 95 24.255 2.046 3.365 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.789 3.962 2.333 1.00 0.00 H new ATOM 0 HG3 GLU A 95 23.220 4.872 3.767 1.00 0.00 H new TER 1489 GLU A 95