USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1092 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.0375 (180deg=-0.45) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -0.0951 K(o=-0.095,f=-2.2!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 8 MET CE :methyl 164:sc= 0 (180deg=-0.183) USER MOD Single : A 11 MET CE :methyl -131:sc= -5.44! (180deg=-8.77!) USER MOD Single : A 13 GLN : amide:sc= -0.238 K(o=-0.24,f=0.68) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= -0.75 (180deg=-0.815) USER MOD Single : A 23 ASN : amide:sc=-0.00206 X(o=-0.0021,f=-0.14) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.468 K(o=-0.47,f=-3!) USER MOD Single : A 46 SER OG : rot 141:sc= 1.18 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -6.2! C(o=-6.2!,f=-9.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 100:sc= -0.555 USER MOD Single : A 60 ASN : amide:sc= -0.223 K(o=-0.22,f=-2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 64 ASN : amide:sc= -6.16! C(o=-6.2!,f=-8.3!) USER MOD Single : A 69 ASN : amide:sc= -0.652 K(o=-0.65,f=-0.14) USER MOD Single : A 71 SER OG : rot -18:sc= 0.979 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -65:sc= 1.1 USER MOD Single : A 83 ASN : amide:sc= -1.73 K(o=-1.7,f=-4.1!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.43) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 132:sc= 1.1 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 87:sc= 0.142 USER MOD Single : A 117 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.56) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 175:sc= 0 (180deg=-0.0238) USER MOD Single : A 121 HIS : no HE2:sc= -7.42! C(o=-7.4!,f=-5.9!) USER MOD Single : A 122 GLN : amide:sc= -2.62! C(o=-2.6!,f=-8.7!) USER MOD Single : A 123 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.4) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.00017) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot -55:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.195 8.816 26.460 1.00 0.00 N ATOM 2 CA MET A 1 -14.434 7.632 26.820 1.00 0.00 C ATOM 3 C MET A 1 -13.293 7.392 25.830 1.00 0.00 C ATOM 4 O MET A 1 -13.436 7.652 24.637 1.00 0.00 O ATOM 5 CB MET A 1 -15.361 6.415 26.836 1.00 0.00 C ATOM 6 CG MET A 1 -16.222 6.365 25.572 1.00 0.00 C ATOM 7 SD MET A 1 -17.047 4.786 25.457 1.00 0.00 S ATOM 8 CE MET A 1 -18.674 5.243 26.031 1.00 0.00 C ATOM 0 H1 MET A 1 -16.154 8.746 26.855 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.724 9.661 26.842 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.252 8.890 25.424 1.00 0.00 H new ATOM 0 HA MET A 1 -14.005 7.786 27.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.769 5.503 26.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.003 6.454 27.716 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.958 7.169 25.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.600 6.524 24.692 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.322 4.367 26.022 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.605 5.634 27.046 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.090 6.008 25.375 1.00 0.00 H new ATOM 18 N GLN A 2 -12.184 6.898 26.363 1.00 0.00 N ATOM 19 CA GLN A 2 -11.019 6.620 25.541 1.00 0.00 C ATOM 20 C GLN A 2 -10.903 5.118 25.275 1.00 0.00 C ATOM 21 O GLN A 2 -11.639 4.322 25.858 1.00 0.00 O ATOM 22 CB GLN A 2 -9.746 7.161 26.195 1.00 0.00 C ATOM 23 CG GLN A 2 -9.421 6.396 27.480 1.00 0.00 C ATOM 24 CD GLN A 2 -8.057 6.810 28.035 1.00 0.00 C ATOM 25 OE1 GLN A 2 -7.947 7.458 29.063 1.00 0.00 O ATOM 26 NE2 GLN A 2 -7.027 6.401 27.300 1.00 0.00 N ATOM 0 H GLN A 2 -12.068 6.684 27.353 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.142 7.130 24.585 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.912 7.079 25.498 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -9.871 8.220 26.420 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -10.193 6.585 28.225 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -9.426 5.324 27.281 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.190 5.862 26.450 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.074 6.627 27.587 1.00 0.00 H new ATOM 35 N GLY A 3 -9.974 4.774 24.396 1.00 0.00 N ATOM 36 CA GLY A 3 -9.753 3.382 24.046 1.00 0.00 C ATOM 37 C GLY A 3 -8.461 3.217 23.242 1.00 0.00 C ATOM 38 O GLY A 3 -7.390 3.024 23.816 1.00 0.00 O ATOM 0 H GLY A 3 -9.365 5.436 23.915 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -9.701 2.779 24.953 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -10.597 3.011 23.465 1.00 0.00 H new ATOM 42 N GLN A 4 -8.604 3.299 21.928 1.00 0.00 N ATOM 43 CA GLN A 4 -7.462 3.162 21.040 1.00 0.00 C ATOM 44 C GLN A 4 -7.562 4.163 19.888 1.00 0.00 C ATOM 45 O GLN A 4 -8.599 4.797 19.700 1.00 0.00 O ATOM 46 CB GLN A 4 -7.346 1.730 20.514 1.00 0.00 C ATOM 47 CG GLN A 4 -6.815 0.789 21.598 1.00 0.00 C ATOM 48 CD GLN A 4 -7.937 -0.084 22.164 1.00 0.00 C ATOM 49 OE1 GLN A 4 -8.533 0.213 23.187 1.00 0.00 O ATOM 50 NE2 GLN A 4 -8.191 -1.173 21.445 1.00 0.00 N ATOM 0 H GLN A 4 -9.494 3.459 21.456 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.557 3.380 21.607 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.322 1.384 20.173 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -6.681 1.709 19.651 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -6.031 0.156 21.183 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.363 1.372 22.401 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.654 -1.362 20.598 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -8.923 -1.820 21.740 1.00 0.00 H new ATOM 59 N ASP A 5 -6.470 4.273 19.145 1.00 0.00 N ATOM 60 CA ASP A 5 -6.421 5.186 18.016 1.00 0.00 C ATOM 61 C ASP A 5 -7.543 4.837 17.035 1.00 0.00 C ATOM 62 O ASP A 5 -7.404 3.917 16.231 1.00 0.00 O ATOM 63 CB ASP A 5 -5.090 5.072 17.272 1.00 0.00 C ATOM 64 CG ASP A 5 -3.863 4.881 18.167 1.00 0.00 C ATOM 65 OD1 ASP A 5 -3.653 3.729 18.604 1.00 0.00 O ATOM 66 OD2 ASP A 5 -3.164 5.892 18.394 1.00 0.00 O ATOM 0 H ASP A 5 -5.612 3.744 19.303 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.534 6.201 18.398 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.149 4.233 16.579 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -4.948 5.971 16.673 1.00 0.00 H new ATOM 71 N ARG A 6 -8.628 5.591 17.134 1.00 0.00 N ATOM 72 CA ARG A 6 -9.772 5.373 16.266 1.00 0.00 C ATOM 73 C ARG A 6 -9.487 5.918 14.865 1.00 0.00 C ATOM 74 O ARG A 6 -10.215 5.622 13.919 1.00 0.00 O ATOM 75 CB ARG A 6 -11.025 6.051 16.824 1.00 0.00 C ATOM 76 CG ARG A 6 -12.290 5.479 16.182 1.00 0.00 C ATOM 77 CD ARG A 6 -13.410 5.332 17.215 1.00 0.00 C ATOM 78 NE ARG A 6 -14.454 4.418 16.702 1.00 0.00 N ATOM 79 CZ ARG A 6 -15.572 4.103 17.371 1.00 0.00 C ATOM 80 NH1 ARG A 6 -15.796 4.627 18.584 1.00 0.00 N ATOM 81 NH2 ARG A 6 -16.464 3.264 16.828 1.00 0.00 N ATOM 0 H ARG A 6 -8.739 6.354 17.802 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.947 4.298 16.213 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.067 5.913 17.904 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.974 7.124 16.642 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.619 6.132 15.374 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.070 4.508 15.738 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.005 4.946 18.150 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.844 6.307 17.434 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.314 4.001 15.781 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.116 5.265 18.997 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.647 4.388 19.094 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.293 2.865 15.905 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -17.315 3.024 17.337 1.00 0.00 H new ATOM 95 N HIS A 7 -8.424 6.705 14.776 1.00 0.00 N ATOM 96 CA HIS A 7 -8.033 7.294 13.507 1.00 0.00 C ATOM 97 C HIS A 7 -7.084 6.346 12.771 1.00 0.00 C ATOM 98 O HIS A 7 -7.327 5.987 11.621 1.00 0.00 O ATOM 99 CB HIS A 7 -7.437 8.688 13.715 1.00 0.00 C ATOM 100 CG HIS A 7 -8.058 9.758 12.850 1.00 0.00 C ATOM 101 ND1 HIS A 7 -7.373 10.385 11.825 1.00 0.00 N ATOM 102 CD2 HIS A 7 -9.308 10.304 12.868 1.00 0.00 C ATOM 103 CE1 HIS A 7 -8.183 11.267 11.258 1.00 0.00 C ATOM 104 NE2 HIS A 7 -9.381 11.216 11.907 1.00 0.00 N ATOM 0 H HIS A 7 -7.822 6.948 15.563 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.913 7.430 12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -7.553 8.969 14.762 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -6.367 8.648 13.513 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.103 10.039 13.549 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -7.938 11.913 10.428 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.199 11.785 11.690 1.00 0.00 H new ATOM 112 N MET A 8 -6.021 5.969 13.467 1.00 0.00 N ATOM 113 CA MET A 8 -5.034 5.069 12.894 1.00 0.00 C ATOM 114 C MET A 8 -5.703 3.996 12.034 1.00 0.00 C ATOM 115 O MET A 8 -5.169 3.604 10.998 1.00 0.00 O ATOM 116 CB MET A 8 -4.239 4.401 14.018 1.00 0.00 C ATOM 117 CG MET A 8 -2.983 3.720 13.472 1.00 0.00 C ATOM 118 SD MET A 8 -1.585 4.086 14.521 1.00 0.00 S ATOM 119 CE MET A 8 -0.939 2.440 14.762 1.00 0.00 C ATOM 0 H MET A 8 -5.822 6.270 14.421 1.00 0.00 H new ATOM 0 HA MET A 8 -4.365 5.650 12.259 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.958 5.146 14.762 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.865 3.666 14.524 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.137 2.642 13.420 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.786 4.063 12.456 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.079 2.501 15.148 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.566 1.904 15.475 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.935 1.908 13.811 1.00 0.00 H new ATOM 129 N ILE A 9 -6.863 3.551 12.495 1.00 0.00 N ATOM 130 CA ILE A 9 -7.611 2.531 11.780 1.00 0.00 C ATOM 131 C ILE A 9 -7.529 2.804 10.277 1.00 0.00 C ATOM 132 O ILE A 9 -7.471 1.873 9.475 1.00 0.00 O ATOM 133 CB ILE A 9 -9.042 2.445 12.313 1.00 0.00 C ATOM 134 CG1 ILE A 9 -9.054 2.343 13.839 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.803 1.291 11.656 1.00 0.00 C ATOM 136 CD1 ILE A 9 -7.927 1.437 14.338 1.00 0.00 C ATOM 0 H ILE A 9 -7.303 3.878 13.355 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.173 1.547 11.949 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.561 3.366 12.048 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.946 3.337 14.274 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.015 1.951 14.173 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.818 1.252 12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.840 1.447 10.578 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.294 0.351 11.869 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.959 1.382 15.426 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.052 0.438 13.921 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.966 1.844 14.023 1.00 0.00 H new ATOM 148 N ARG A 10 -7.529 4.086 9.940 1.00 0.00 N ATOM 149 CA ARG A 10 -7.456 4.493 8.547 1.00 0.00 C ATOM 150 C ARG A 10 -6.341 3.731 7.829 1.00 0.00 C ATOM 151 O ARG A 10 -6.576 3.109 6.793 1.00 0.00 O ATOM 152 CB ARG A 10 -7.196 5.996 8.426 1.00 0.00 C ATOM 153 CG ARG A 10 -6.867 6.381 6.982 1.00 0.00 C ATOM 154 CD ARG A 10 -8.086 6.202 6.075 1.00 0.00 C ATOM 155 NE ARG A 10 -8.789 7.494 5.911 1.00 0.00 N ATOM 156 CZ ARG A 10 -9.772 7.707 5.025 1.00 0.00 C ATOM 157 NH1 ARG A 10 -10.173 6.716 4.218 1.00 0.00 N ATOM 158 NH2 ARG A 10 -10.353 8.912 4.946 1.00 0.00 N ATOM 0 H ARG A 10 -7.578 4.856 10.607 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.415 4.262 8.083 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.073 6.549 8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.371 6.280 9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.531 7.417 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.044 5.767 6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.773 5.823 5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -8.763 5.462 6.503 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.508 8.271 6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.730 5.799 4.278 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.921 6.878 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.047 9.667 5.560 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.101 9.074 4.272 1.00 0.00 H new ATOM 172 N MET A 11 -5.151 3.803 8.407 1.00 0.00 N ATOM 173 CA MET A 11 -3.999 3.127 7.835 1.00 0.00 C ATOM 174 C MET A 11 -3.790 1.756 8.481 1.00 0.00 C ATOM 175 O MET A 11 -3.343 0.817 7.824 1.00 0.00 O ATOM 176 CB MET A 11 -2.749 3.984 8.041 1.00 0.00 C ATOM 177 CG MET A 11 -2.678 4.513 9.475 1.00 0.00 C ATOM 178 SD MET A 11 -0.978 4.808 9.933 1.00 0.00 S ATOM 179 CE MET A 11 -1.220 5.758 11.425 1.00 0.00 C ATOM 0 H MET A 11 -4.960 4.319 9.266 1.00 0.00 H new ATOM 0 HA MET A 11 -4.179 2.982 6.770 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.859 3.394 7.823 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.757 4.820 7.341 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.252 5.436 9.560 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.128 3.794 10.159 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.603 6.656 11.389 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.269 6.042 11.509 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.936 5.157 12.289 1.00 0.00 H new ATOM 189 N ARG A 12 -4.124 1.684 9.762 1.00 0.00 N ATOM 190 CA ARG A 12 -3.979 0.444 10.505 1.00 0.00 C ATOM 191 C ARG A 12 -4.618 -0.714 9.735 1.00 0.00 C ATOM 192 O ARG A 12 -4.049 -1.801 9.658 1.00 0.00 O ATOM 193 CB ARG A 12 -4.629 0.550 11.886 1.00 0.00 C ATOM 194 CG ARG A 12 -3.695 0.015 12.974 1.00 0.00 C ATOM 195 CD ARG A 12 -4.342 0.129 14.356 1.00 0.00 C ATOM 196 NE ARG A 12 -4.247 -1.166 15.067 1.00 0.00 N ATOM 197 CZ ARG A 12 -3.101 -1.693 15.517 1.00 0.00 C ATOM 198 NH1 ARG A 12 -1.945 -1.041 15.333 1.00 0.00 N ATOM 199 NH2 ARG A 12 -3.110 -2.874 16.151 1.00 0.00 N ATOM 0 H ARG A 12 -4.495 2.465 10.304 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.913 0.256 10.632 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.879 1.590 12.095 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.564 -0.011 11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.450 -1.027 12.768 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.758 0.572 12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.847 0.909 14.935 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.387 0.422 14.255 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.108 -1.690 15.224 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.937 -0.143 14.850 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.073 -1.443 15.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.990 -3.371 16.291 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.237 -3.275 16.494 1.00 0.00 H new ATOM 213 N GLN A 13 -5.793 -0.440 9.186 1.00 0.00 N ATOM 214 CA GLN A 13 -6.516 -1.445 8.426 1.00 0.00 C ATOM 215 C GLN A 13 -5.723 -1.838 7.177 1.00 0.00 C ATOM 216 O GLN A 13 -5.775 -2.987 6.741 1.00 0.00 O ATOM 217 CB GLN A 13 -7.914 -0.950 8.053 1.00 0.00 C ATOM 218 CG GLN A 13 -7.838 0.240 7.095 1.00 0.00 C ATOM 219 CD GLN A 13 -9.214 0.883 6.908 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.654 1.708 7.691 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.866 0.459 5.829 1.00 0.00 N ATOM 0 H GLN A 13 -6.262 0.463 9.253 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.634 -2.330 9.052 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.478 -1.759 7.589 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.454 -0.661 8.955 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.137 0.979 7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.453 -0.089 6.130 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.439 -0.234 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.793 0.827 5.616 1.00 0.00 H new ATOM 230 N LEU A 14 -5.007 -0.862 6.638 1.00 0.00 N ATOM 231 CA LEU A 14 -4.205 -1.091 5.449 1.00 0.00 C ATOM 232 C LEU A 14 -3.082 -2.077 5.779 1.00 0.00 C ATOM 233 O LEU A 14 -3.029 -3.172 5.221 1.00 0.00 O ATOM 234 CB LEU A 14 -3.708 0.236 4.873 1.00 0.00 C ATOM 235 CG LEU A 14 -4.789 1.197 4.372 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.166 2.439 3.732 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.756 0.487 3.422 1.00 0.00 C ATOM 0 H LEU A 14 -4.966 0.089 7.003 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.809 -1.546 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.124 0.746 5.639 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.031 0.020 4.047 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.370 1.535 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.956 3.105 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.552 2.958 4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.546 2.141 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.514 1.192 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.206 0.102 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.238 -0.339 3.944 1.00 0.00 H new ATOM 249 N ILE A 15 -2.212 -1.652 6.683 1.00 0.00 N ATOM 250 CA ILE A 15 -1.094 -2.484 7.094 1.00 0.00 C ATOM 251 C ILE A 15 -1.603 -3.887 7.430 1.00 0.00 C ATOM 252 O ILE A 15 -0.963 -4.881 7.092 1.00 0.00 O ATOM 253 CB ILE A 15 -0.323 -1.819 8.237 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.452 -0.598 7.738 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.587 -2.826 8.943 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.242 0.700 8.156 1.00 0.00 C ATOM 0 H ILE A 15 -2.259 -0.743 7.142 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.379 -2.591 6.278 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.043 -1.464 8.974 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.466 -0.618 8.138 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.537 -0.636 6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.123 -2.328 9.751 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.016 -3.636 9.353 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.303 -3.232 8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.329 1.553 7.789 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.247 0.728 7.734 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.304 0.746 9.243 1.00 0.00 H new ATOM 268 N ASP A 16 -2.750 -3.922 8.093 1.00 0.00 N ATOM 269 CA ASP A 16 -3.353 -5.187 8.479 1.00 0.00 C ATOM 270 C ASP A 16 -3.813 -5.931 7.224 1.00 0.00 C ATOM 271 O ASP A 16 -3.585 -7.133 7.092 1.00 0.00 O ATOM 272 CB ASP A 16 -4.576 -4.964 9.371 1.00 0.00 C ATOM 273 CG ASP A 16 -4.650 -5.869 10.603 1.00 0.00 C ATOM 274 OD1 ASP A 16 -3.646 -6.570 10.854 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.710 -5.840 11.265 1.00 0.00 O ATOM 0 H ASP A 16 -3.278 -3.095 8.373 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.607 -5.763 9.026 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.582 -3.925 9.701 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.475 -5.114 8.774 1.00 0.00 H new ATOM 280 N ILE A 17 -4.453 -5.187 6.333 1.00 0.00 N ATOM 281 CA ILE A 17 -4.947 -5.761 5.094 1.00 0.00 C ATOM 282 C ILE A 17 -3.817 -6.534 4.409 1.00 0.00 C ATOM 283 O ILE A 17 -4.034 -7.627 3.890 1.00 0.00 O ATOM 284 CB ILE A 17 -5.573 -4.678 4.213 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.079 -4.901 4.057 1.00 0.00 C ATOM 286 CG2 ILE A 17 -4.863 -4.593 2.861 1.00 0.00 C ATOM 287 CD1 ILE A 17 -7.860 -4.134 5.125 1.00 0.00 C ATOM 0 H ILE A 17 -4.641 -4.191 6.446 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.745 -6.475 5.297 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.440 -3.716 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.397 -4.578 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.302 -5.965 4.132 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.328 -3.816 2.254 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.811 -4.352 3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.943 -5.551 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.927 -4.310 4.992 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.557 -4.477 6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.653 -3.068 5.032 1.00 0.00 H new ATOM 299 N VAL A 18 -2.636 -5.934 4.430 1.00 0.00 N ATOM 300 CA VAL A 18 -1.472 -6.552 3.817 1.00 0.00 C ATOM 301 C VAL A 18 -1.108 -7.821 4.590 1.00 0.00 C ATOM 302 O VAL A 18 -1.091 -8.913 4.025 1.00 0.00 O ATOM 303 CB VAL A 18 -0.322 -5.545 3.745 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.726 -5.983 2.721 1.00 0.00 C ATOM 305 CG2 VAL A 18 -0.842 -4.141 3.432 1.00 0.00 C ATOM 0 H VAL A 18 -2.460 -5.027 4.862 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.692 -6.848 2.791 1.00 0.00 H new ATOM 0 HB VAL A 18 0.158 -5.514 4.723 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.532 -5.250 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.130 -6.955 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.264 -6.057 1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.005 -3.445 3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.359 -4.150 2.472 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.533 -3.826 4.214 1.00 0.00 H new ATOM 315 N ASP A 19 -0.825 -7.635 5.871 1.00 0.00 N ATOM 316 CA ASP A 19 -0.462 -8.751 6.728 1.00 0.00 C ATOM 317 C ASP A 19 -1.547 -9.827 6.644 1.00 0.00 C ATOM 318 O ASP A 19 -1.274 -11.007 6.855 1.00 0.00 O ATOM 319 CB ASP A 19 -0.345 -8.310 8.188 1.00 0.00 C ATOM 320 CG ASP A 19 -0.239 -9.451 9.202 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.725 -10.237 9.073 1.00 0.00 O ATOM 322 OD2 ASP A 19 -1.125 -9.513 10.082 1.00 0.00 O ATOM 0 H ASP A 19 -0.840 -6.727 6.336 1.00 0.00 H new ATOM 0 HA ASP A 19 0.500 -9.136 6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.532 -7.671 8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.214 -7.701 8.439 1.00 0.00 H new ATOM 327 N GLN A 20 -2.756 -9.380 6.335 1.00 0.00 N ATOM 328 CA GLN A 20 -3.883 -10.289 6.220 1.00 0.00 C ATOM 329 C GLN A 20 -3.712 -11.196 5.000 1.00 0.00 C ATOM 330 O GLN A 20 -3.736 -12.420 5.124 1.00 0.00 O ATOM 331 CB GLN A 20 -5.203 -9.519 6.151 1.00 0.00 C ATOM 332 CG GLN A 20 -6.398 -10.473 6.209 1.00 0.00 C ATOM 333 CD GLN A 20 -7.717 -9.698 6.250 1.00 0.00 C ATOM 334 OE1 GLN A 20 -8.221 -9.334 7.300 1.00 0.00 O ATOM 335 NE2 GLN A 20 -8.246 -9.468 5.052 1.00 0.00 N ATOM 0 H GLN A 20 -2.979 -8.400 6.161 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.912 -10.915 7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.258 -8.810 6.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.241 -8.938 5.230 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.385 -11.131 5.340 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.318 -11.109 7.091 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.772 -9.801 4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.126 -8.959 4.972 1.00 0.00 H new ATOM 344 N LEU A 21 -3.543 -10.561 3.850 1.00 0.00 N ATOM 345 CA LEU A 21 -3.368 -11.295 2.608 1.00 0.00 C ATOM 346 C LEU A 21 -2.040 -12.052 2.651 1.00 0.00 C ATOM 347 O LEU A 21 -1.907 -13.116 2.049 1.00 0.00 O ATOM 348 CB LEU A 21 -3.503 -10.357 1.407 1.00 0.00 C ATOM 349 CG LEU A 21 -2.839 -10.827 0.111 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.316 -10.728 0.208 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.300 -12.238 -0.260 1.00 0.00 C ATOM 0 H LEU A 21 -3.523 -9.546 3.752 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.156 -12.039 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.564 -10.199 1.212 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.081 -9.389 1.678 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.153 -10.163 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.869 -11.068 -0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.030 -9.692 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.962 -11.353 1.028 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.814 -12.548 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.034 -12.930 0.540 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.381 -12.243 -0.400 1.00 0.00 H new ATOM 363 N LYS A 22 -1.089 -11.474 3.370 1.00 0.00 N ATOM 364 CA LYS A 22 0.225 -12.081 3.500 1.00 0.00 C ATOM 365 C LYS A 22 0.086 -13.451 4.167 1.00 0.00 C ATOM 366 O LYS A 22 0.750 -14.408 3.772 1.00 0.00 O ATOM 367 CB LYS A 22 1.182 -11.136 4.230 1.00 0.00 C ATOM 368 CG LYS A 22 2.063 -10.374 3.238 1.00 0.00 C ATOM 369 CD LYS A 22 2.468 -9.010 3.801 1.00 0.00 C ATOM 370 CE LYS A 22 3.505 -9.162 4.915 1.00 0.00 C ATOM 371 NZ LYS A 22 3.712 -7.872 5.610 1.00 0.00 N ATOM 0 H LYS A 22 -1.202 -10.591 3.869 1.00 0.00 H new ATOM 0 HA LYS A 22 0.666 -12.248 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.612 -10.429 4.833 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.809 -11.706 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.955 -10.959 3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.527 -10.239 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.875 -8.390 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.588 -8.496 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.173 -9.917 5.628 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.449 -9.512 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.665 -7.851 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.614 -7.091 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.003 -7.766 6.364 1.00 0.00 H new ATOM 385 N ASN A 23 -0.782 -13.501 5.166 1.00 0.00 N ATOM 386 CA ASN A 23 -1.017 -14.738 5.892 1.00 0.00 C ATOM 387 C ASN A 23 -1.781 -15.714 4.994 1.00 0.00 C ATOM 388 O ASN A 23 -2.052 -16.846 5.391 1.00 0.00 O ATOM 389 CB ASN A 23 -1.860 -14.491 7.144 1.00 0.00 C ATOM 390 CG ASN A 23 -1.028 -14.687 8.413 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.113 -14.265 8.509 1.00 0.00 O ATOM 392 ND2 ASN A 23 -1.660 -15.349 9.378 1.00 0.00 N ATOM 0 H ASN A 23 -1.331 -12.705 5.490 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.049 -15.146 6.183 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.263 -13.478 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.711 -15.172 7.154 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.189 -15.531 10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.615 -15.675 9.232 1.00 0.00 H new ATOM 399 N TYR A 24 -2.105 -15.239 3.800 1.00 0.00 N ATOM 400 CA TYR A 24 -2.831 -16.056 2.842 1.00 0.00 C ATOM 401 C TYR A 24 -2.066 -16.162 1.521 1.00 0.00 C ATOM 402 O TYR A 24 -2.643 -16.512 0.492 1.00 0.00 O ATOM 403 CB TYR A 24 -4.157 -15.334 2.593 1.00 0.00 C ATOM 404 CG TYR A 24 -5.095 -15.322 3.801 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.183 -16.431 4.618 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.854 -14.202 4.075 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.066 -16.420 5.755 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.737 -14.191 5.212 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.800 -15.301 5.996 1.00 0.00 C ATOM 410 OH TYR A 24 -7.634 -15.290 7.070 1.00 0.00 O ATOM 0 H TYR A 24 -1.878 -14.299 3.474 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.970 -17.066 3.226 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.949 -14.306 2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.666 -15.810 1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.589 -17.307 4.404 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.785 -13.334 3.436 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.144 -17.281 6.402 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.336 -13.321 5.438 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.093 -14.426 7.119 1.00 0.00 H new ATOM 420 N VAL A 25 -0.780 -15.855 1.593 1.00 0.00 N ATOM 421 CA VAL A 25 0.070 -15.912 0.415 1.00 0.00 C ATOM 422 C VAL A 25 -0.166 -17.235 -0.315 1.00 0.00 C ATOM 423 O VAL A 25 -0.147 -17.283 -1.544 1.00 0.00 O ATOM 424 CB VAL A 25 1.532 -15.701 0.814 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.795 -14.239 1.180 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.927 -16.633 1.961 1.00 0.00 C ATOM 0 H VAL A 25 -0.305 -15.566 2.448 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.183 -15.109 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 25 2.153 -15.948 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.841 -14.117 1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.572 -13.604 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.160 -13.954 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.971 -16.463 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.296 -16.432 2.827 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.796 -17.669 1.649 1.00 0.00 H new ATOM 436 N ASN A 26 -0.383 -18.278 0.473 1.00 0.00 N ATOM 437 CA ASN A 26 -0.622 -19.599 -0.083 1.00 0.00 C ATOM 438 C ASN A 26 -1.702 -19.505 -1.163 1.00 0.00 C ATOM 439 O ASN A 26 -1.790 -20.369 -2.035 1.00 0.00 O ATOM 440 CB ASN A 26 -1.113 -20.569 0.993 1.00 0.00 C ATOM 441 CG ASN A 26 -0.878 -22.021 0.571 1.00 0.00 C ATOM 442 OD1 ASN A 26 0.196 -22.577 0.739 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.937 -22.602 0.016 1.00 0.00 N ATOM 0 H ASN A 26 -0.398 -18.235 1.492 1.00 0.00 H new ATOM 0 HA ASN A 26 0.317 -19.965 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -0.594 -20.371 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.175 -20.407 1.176 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.881 -23.570 -0.299 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.806 -22.079 -0.095 1.00 0.00 H new ATOM 450 N ASP A 27 -2.497 -18.449 -1.070 1.00 0.00 N ATOM 451 CA ASP A 27 -3.567 -18.231 -2.029 1.00 0.00 C ATOM 452 C ASP A 27 -3.307 -16.929 -2.790 1.00 0.00 C ATOM 453 O ASP A 27 -4.191 -16.081 -2.895 1.00 0.00 O ATOM 454 CB ASP A 27 -4.919 -18.105 -1.325 1.00 0.00 C ATOM 455 CG ASP A 27 -5.144 -19.090 -0.176 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.322 -20.289 -0.482 1.00 0.00 O ATOM 457 OD2 ASP A 27 -5.133 -18.622 0.983 1.00 0.00 O ATOM 0 H ASP A 27 -2.422 -17.735 -0.345 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.591 -19.084 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.017 -17.091 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.710 -18.243 -2.062 1.00 0.00 H new ATOM 462 N LEU A 28 -2.090 -16.812 -3.300 1.00 0.00 N ATOM 463 CA LEU A 28 -1.703 -15.628 -4.048 1.00 0.00 C ATOM 464 C LEU A 28 -1.252 -16.041 -5.450 1.00 0.00 C ATOM 465 O LEU A 28 -0.438 -16.951 -5.602 1.00 0.00 O ATOM 466 CB LEU A 28 -0.653 -14.827 -3.276 1.00 0.00 C ATOM 467 CG LEU A 28 -1.193 -13.828 -2.250 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.060 -12.994 -1.648 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.288 -12.952 -2.861 1.00 0.00 C ATOM 0 H LEU A 28 -1.359 -17.518 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.555 -14.959 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.004 -15.528 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.039 -14.284 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.648 -14.389 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.471 -12.292 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.653 -13.653 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.446 -12.442 -2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.654 -12.251 -2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.881 -12.398 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.110 -13.582 -3.201 1.00 0.00 H new ATOM 481 N VAL A 29 -1.801 -15.353 -6.440 1.00 0.00 N ATOM 482 CA VAL A 29 -1.466 -15.637 -7.825 1.00 0.00 C ATOM 483 C VAL A 29 -0.271 -14.777 -8.243 1.00 0.00 C ATOM 484 O VAL A 29 -0.340 -13.550 -8.201 1.00 0.00 O ATOM 485 CB VAL A 29 -2.693 -15.426 -8.715 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.770 -13.981 -9.209 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.695 -16.408 -9.888 1.00 0.00 C ATOM 0 H VAL A 29 -2.476 -14.599 -6.311 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.173 -16.681 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.581 -15.622 -8.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.651 -13.858 -9.839 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.838 -13.308 -8.355 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.876 -13.746 -9.786 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.577 -16.237 -10.505 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.798 -16.259 -10.489 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.711 -17.429 -9.507 1.00 0.00 H new ATOM 497 N PRO A 30 0.825 -15.474 -8.646 1.00 0.00 N ATOM 498 CA PRO A 30 2.034 -14.788 -9.071 1.00 0.00 C ATOM 499 C PRO A 30 1.860 -14.185 -10.466 1.00 0.00 C ATOM 500 O PRO A 30 1.671 -14.911 -11.441 1.00 0.00 O ATOM 501 CB PRO A 30 3.127 -15.842 -9.011 1.00 0.00 C ATOM 502 CG PRO A 30 2.411 -17.184 -9.005 1.00 0.00 C ATOM 503 CD PRO A 30 0.943 -16.928 -8.709 1.00 0.00 C ATOM 0 HA PRO A 30 2.283 -13.940 -8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.796 -15.760 -9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.738 -15.721 -8.116 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.525 -17.682 -9.968 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.843 -17.844 -8.252 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.304 -17.344 -9.488 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.642 -17.391 -7.769 1.00 0.00 H new ATOM 511 N GLU A 31 1.930 -12.862 -10.518 1.00 0.00 N ATOM 512 CA GLU A 31 1.783 -12.154 -11.778 1.00 0.00 C ATOM 513 C GLU A 31 2.642 -10.887 -11.777 1.00 0.00 C ATOM 514 O GLU A 31 3.074 -10.426 -10.722 1.00 0.00 O ATOM 515 CB GLU A 31 0.315 -11.821 -12.052 1.00 0.00 C ATOM 516 CG GLU A 31 -0.098 -10.532 -11.338 1.00 0.00 C ATOM 517 CD GLU A 31 -1.518 -10.645 -10.781 1.00 0.00 C ATOM 518 OE1 GLU A 31 -2.453 -10.660 -11.610 1.00 0.00 O ATOM 519 OE2 GLU A 31 -1.636 -10.714 -9.538 1.00 0.00 O ATOM 0 H GLU A 31 2.087 -12.263 -9.708 1.00 0.00 H new ATOM 0 HA GLU A 31 2.129 -12.805 -12.581 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.157 -11.713 -13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.317 -12.644 -11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.599 -10.322 -10.527 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.041 -9.693 -12.032 1.00 0.00 H new ATOM 526 N PHE A 32 2.862 -10.360 -12.972 1.00 0.00 N ATOM 527 CA PHE A 32 3.661 -9.155 -13.123 1.00 0.00 C ATOM 528 C PHE A 32 2.980 -7.959 -12.456 1.00 0.00 C ATOM 529 O PHE A 32 2.155 -7.286 -13.072 1.00 0.00 O ATOM 530 CB PHE A 32 3.784 -8.885 -14.624 1.00 0.00 C ATOM 531 CG PHE A 32 4.497 -9.995 -15.400 1.00 0.00 C ATOM 532 CD1 PHE A 32 3.785 -11.040 -15.900 1.00 0.00 C ATOM 533 CD2 PHE A 32 5.842 -9.936 -15.590 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.446 -12.070 -16.620 1.00 0.00 C ATOM 535 CE2 PHE A 32 6.504 -10.965 -16.310 1.00 0.00 C ATOM 536 CZ PHE A 32 5.792 -12.011 -16.810 1.00 0.00 C ATOM 0 H PHE A 32 2.501 -10.745 -13.845 1.00 0.00 H new ATOM 0 HA PHE A 32 4.635 -9.293 -12.653 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.786 -8.748 -15.041 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.323 -7.949 -14.771 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.717 -11.087 -15.749 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.407 -9.106 -15.193 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.880 -12.900 -17.017 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.572 -10.917 -16.461 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.295 -12.794 -17.358 1.00 0.00 H new ATOM 546 N LEU A 33 3.351 -7.730 -11.205 1.00 0.00 N ATOM 547 CA LEU A 33 2.786 -6.626 -10.447 1.00 0.00 C ATOM 548 C LEU A 33 3.808 -5.489 -10.372 1.00 0.00 C ATOM 549 O LEU A 33 4.948 -5.701 -9.962 1.00 0.00 O ATOM 550 CB LEU A 33 2.302 -7.109 -9.078 1.00 0.00 C ATOM 551 CG LEU A 33 0.819 -6.883 -8.774 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.046 -7.205 -9.994 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.386 -7.677 -7.540 1.00 0.00 C ATOM 0 H LEU A 33 4.036 -8.290 -10.697 1.00 0.00 H new ATOM 0 HA LEU A 33 1.904 -6.230 -10.950 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.511 -8.176 -8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.891 -6.609 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 33 0.674 -5.827 -8.546 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.095 -7.036 -9.751 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.242 -6.561 -10.825 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.098 -8.248 -10.277 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.672 -7.499 -7.346 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.549 -8.740 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.972 -7.358 -6.678 1.00 0.00 H new ATOM 565 N PRO A 34 3.350 -4.277 -10.785 1.00 0.00 N ATOM 566 CA PRO A 34 4.211 -3.107 -10.769 1.00 0.00 C ATOM 567 C PRO A 34 4.402 -2.587 -9.342 1.00 0.00 C ATOM 568 O PRO A 34 3.433 -2.419 -8.604 1.00 0.00 O ATOM 569 CB PRO A 34 3.525 -2.102 -11.680 1.00 0.00 C ATOM 570 CG PRO A 34 2.083 -2.566 -11.803 1.00 0.00 C ATOM 571 CD PRO A 34 2.005 -3.990 -11.277 1.00 0.00 C ATOM 0 HA PRO A 34 5.220 -3.322 -11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.577 -1.097 -11.262 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.008 -2.067 -12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.422 -1.912 -11.234 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.756 -2.524 -12.842 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.265 -4.078 -10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.713 -4.687 -12.063 1.00 0.00 H new ATOM 579 N ALA A 35 5.659 -2.347 -8.998 1.00 0.00 N ATOM 580 CA ALA A 35 5.990 -1.850 -7.674 1.00 0.00 C ATOM 581 C ALA A 35 6.993 -0.701 -7.801 1.00 0.00 C ATOM 582 O ALA A 35 7.882 -0.740 -8.649 1.00 0.00 O ATOM 583 CB ALA A 35 6.524 -2.998 -6.816 1.00 0.00 C ATOM 0 H ALA A 35 6.460 -2.488 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 35 5.102 -1.459 -7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.772 -2.625 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.763 -3.774 -6.732 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.418 -3.415 -7.281 1.00 0.00 H new ATOM 589 N PRO A 36 6.811 0.321 -6.922 1.00 0.00 N ATOM 590 CA PRO A 36 7.689 1.478 -6.927 1.00 0.00 C ATOM 591 C PRO A 36 9.046 1.140 -6.307 1.00 0.00 C ATOM 592 O PRO A 36 9.125 0.794 -5.129 1.00 0.00 O ATOM 593 CB PRO A 36 6.934 2.549 -6.157 1.00 0.00 C ATOM 594 CG PRO A 36 5.873 1.814 -5.354 1.00 0.00 C ATOM 595 CD PRO A 36 5.768 0.401 -5.903 1.00 0.00 C ATOM 0 HA PRO A 36 7.925 1.822 -7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.605 3.105 -5.502 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.480 3.271 -6.835 1.00 0.00 H new ATOM 0 HG2 PRO A 36 6.140 1.794 -4.297 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.914 2.326 -5.431 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.922 -0.341 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.782 0.214 -6.329 1.00 0.00 H new ATOM 603 N GLU A 37 10.080 1.251 -7.127 1.00 0.00 N ATOM 604 CA GLU A 37 11.430 0.961 -6.674 1.00 0.00 C ATOM 605 C GLU A 37 12.137 2.251 -6.253 1.00 0.00 C ATOM 606 O GLU A 37 12.443 3.097 -7.092 1.00 0.00 O ATOM 607 CB GLU A 37 12.226 0.227 -7.755 1.00 0.00 C ATOM 608 CG GLU A 37 13.559 -0.283 -7.203 1.00 0.00 C ATOM 609 CD GLU A 37 13.465 -1.763 -6.825 1.00 0.00 C ATOM 610 OE1 GLU A 37 13.011 -2.031 -5.692 1.00 0.00 O ATOM 611 OE2 GLU A 37 13.850 -2.592 -7.678 1.00 0.00 O ATOM 0 H GLU A 37 10.010 1.538 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 37 11.368 0.304 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.642 -0.611 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.409 0.897 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 37 14.343 -0.143 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.842 0.302 -6.328 1.00 0.00 H new ATOM 618 N ASP A 38 12.376 2.361 -4.955 1.00 0.00 N ATOM 619 CA ASP A 38 13.041 3.533 -4.412 1.00 0.00 C ATOM 620 C ASP A 38 12.294 4.791 -4.861 1.00 0.00 C ATOM 621 O ASP A 38 12.609 5.366 -5.902 1.00 0.00 O ATOM 622 CB ASP A 38 14.481 3.633 -4.918 1.00 0.00 C ATOM 623 CG ASP A 38 15.372 2.437 -4.574 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.898 2.430 -3.440 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.506 1.558 -5.451 1.00 0.00 O ATOM 0 H ASP A 38 12.121 1.657 -4.263 1.00 0.00 H new ATOM 0 HA ASP A 38 13.046 3.445 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.462 3.753 -6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.933 4.535 -4.505 1.00 0.00 H new ATOM 630 N VAL A 39 11.319 5.182 -4.053 1.00 0.00 N ATOM 631 CA VAL A 39 10.526 6.361 -4.354 1.00 0.00 C ATOM 632 C VAL A 39 11.094 7.561 -3.594 1.00 0.00 C ATOM 633 O VAL A 39 11.694 7.400 -2.533 1.00 0.00 O ATOM 634 CB VAL A 39 9.053 6.096 -4.036 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.316 5.552 -5.262 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.912 5.145 -2.846 1.00 0.00 C ATOM 0 H VAL A 39 11.061 4.703 -3.190 1.00 0.00 H new ATOM 0 HA VAL A 39 10.579 6.595 -5.417 1.00 0.00 H new ATOM 0 HB VAL A 39 8.593 7.046 -3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.271 5.372 -5.008 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.373 6.278 -6.073 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.778 4.617 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.855 4.973 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.395 4.196 -3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.385 5.587 -1.969 1.00 0.00 H new ATOM 646 N GLU A 40 10.886 8.737 -4.168 1.00 0.00 N ATOM 647 CA GLU A 40 11.370 9.964 -3.558 1.00 0.00 C ATOM 648 C GLU A 40 10.878 10.068 -2.113 1.00 0.00 C ATOM 649 O GLU A 40 9.978 9.336 -1.706 1.00 0.00 O ATOM 650 CB GLU A 40 10.944 11.187 -4.373 1.00 0.00 C ATOM 651 CG GLU A 40 11.838 12.389 -4.065 1.00 0.00 C ATOM 652 CD GLU A 40 12.306 13.069 -5.353 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.421 13.421 -6.163 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.538 13.221 -5.499 1.00 0.00 O ATOM 0 H GLU A 40 10.389 8.866 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 40 12.460 9.937 -3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.994 10.955 -5.437 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.906 11.434 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.292 13.104 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.703 12.065 -3.486 1.00 0.00 H new ATOM 661 N THR A 41 11.490 10.985 -1.378 1.00 0.00 N ATOM 662 CA THR A 41 11.126 11.195 0.013 1.00 0.00 C ATOM 663 C THR A 41 9.674 11.667 0.118 1.00 0.00 C ATOM 664 O THR A 41 9.095 11.666 1.203 1.00 0.00 O ATOM 665 CB THR A 41 12.129 12.176 0.622 1.00 0.00 C ATOM 666 OG1 THR A 41 12.993 11.352 1.399 1.00 0.00 O ATOM 667 CG2 THR A 41 11.485 13.112 1.646 1.00 0.00 C ATOM 0 H THR A 41 12.236 11.591 -1.720 1.00 0.00 H new ATOM 0 HA THR A 41 11.175 10.265 0.579 1.00 0.00 H new ATOM 0 HB THR A 41 12.586 12.767 -0.172 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.676 11.908 1.829 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.241 13.787 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.698 13.693 1.164 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.056 12.524 2.457 1.00 0.00 H new ATOM 675 N ASN A 42 9.128 12.058 -1.024 1.00 0.00 N ATOM 676 CA ASN A 42 7.755 12.531 -1.074 1.00 0.00 C ATOM 677 C ASN A 42 7.057 11.929 -2.295 1.00 0.00 C ATOM 678 O ASN A 42 6.189 12.562 -2.893 1.00 0.00 O ATOM 679 CB ASN A 42 7.702 14.055 -1.203 1.00 0.00 C ATOM 680 CG ASN A 42 7.675 14.721 0.174 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.682 14.846 0.851 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.470 15.141 0.548 1.00 0.00 N ATOM 0 H ASN A 42 9.612 12.057 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 42 7.261 12.230 -0.151 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.568 14.406 -1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.817 14.345 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.347 15.600 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.668 15.004 -0.068 1.00 0.00 H new ATOM 689 N CYS A 43 7.462 10.712 -2.628 1.00 0.00 N ATOM 690 CA CYS A 43 6.886 10.017 -3.767 1.00 0.00 C ATOM 691 C CYS A 43 6.099 8.813 -3.246 1.00 0.00 C ATOM 692 O CYS A 43 5.115 8.399 -3.857 1.00 0.00 O ATOM 693 CB CYS A 43 7.957 9.605 -4.779 1.00 0.00 C ATOM 694 SG CYS A 43 7.320 8.743 -6.262 1.00 0.00 S ATOM 0 H CYS A 43 8.182 10.189 -2.129 1.00 0.00 H new ATOM 0 HA CYS A 43 6.213 10.686 -4.303 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.497 10.496 -5.098 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.678 8.957 -4.281 1.00 0.00 H new ATOM 699 N GLU A 44 6.562 8.284 -2.123 1.00 0.00 N ATOM 700 CA GLU A 44 5.914 7.135 -1.514 1.00 0.00 C ATOM 701 C GLU A 44 4.394 7.249 -1.651 1.00 0.00 C ATOM 702 O GLU A 44 3.697 6.238 -1.723 1.00 0.00 O ATOM 703 CB GLU A 44 6.322 6.990 -0.046 1.00 0.00 C ATOM 704 CG GLU A 44 7.832 6.778 0.084 1.00 0.00 C ATOM 705 CD GLU A 44 8.201 6.318 1.496 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.906 7.085 2.438 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.769 5.210 1.601 1.00 0.00 O ATOM 0 H GLU A 44 7.378 8.630 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 44 6.241 6.237 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.027 7.882 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.793 6.148 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.163 6.036 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.355 7.706 -0.148 1.00 0.00 H new ATOM 714 N TRP A 45 3.926 8.487 -1.684 1.00 0.00 N ATOM 715 CA TRP A 45 2.502 8.746 -1.812 1.00 0.00 C ATOM 716 C TRP A 45 2.104 8.491 -3.267 1.00 0.00 C ATOM 717 O TRP A 45 1.234 7.666 -3.541 1.00 0.00 O ATOM 718 CB TRP A 45 2.156 10.158 -1.336 1.00 0.00 C ATOM 719 CG TRP A 45 2.055 10.295 0.185 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.932 10.865 1.022 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.974 9.828 1.020 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.498 10.799 2.330 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.270 10.149 2.329 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.214 9.157 0.680 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.428 9.838 3.403 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.044 8.853 1.765 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.761 9.169 3.089 1.00 0.00 C ATOM 0 H TRP A 45 4.508 9.323 -1.624 1.00 0.00 H new ATOM 0 HA TRP A 45 1.929 8.075 -1.172 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.914 10.850 -1.703 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.208 10.458 -1.781 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.862 11.319 0.712 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.989 11.161 3.148 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.466 8.897 -0.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.682 10.100 4.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.970 8.336 1.559 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.455 8.900 3.871 1.00 0.00 H new ATOM 738 N SER A 46 2.759 9.215 -4.162 1.00 0.00 N ATOM 739 CA SER A 46 2.485 9.078 -5.582 1.00 0.00 C ATOM 740 C SER A 46 2.643 7.617 -6.007 1.00 0.00 C ATOM 741 O SER A 46 2.109 7.204 -7.035 1.00 0.00 O ATOM 742 CB SER A 46 3.407 9.975 -6.411 1.00 0.00 C ATOM 743 OG SER A 46 3.006 10.036 -7.777 1.00 0.00 O ATOM 0 H SER A 46 3.480 9.899 -3.931 1.00 0.00 H new ATOM 0 HA SER A 46 1.458 9.393 -5.763 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.410 10.980 -5.989 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.429 9.600 -6.350 1.00 0.00 H new ATOM 0 HG SER A 46 3.117 10.951 -8.110 1.00 0.00 H new ATOM 749 N ALA A 47 3.379 6.874 -5.194 1.00 0.00 N ATOM 750 CA ALA A 47 3.615 5.468 -5.472 1.00 0.00 C ATOM 751 C ALA A 47 2.387 4.657 -5.054 1.00 0.00 C ATOM 752 O ALA A 47 2.105 3.608 -5.631 1.00 0.00 O ATOM 753 CB ALA A 47 4.887 5.011 -4.756 1.00 0.00 C ATOM 0 H ALA A 47 3.820 7.220 -4.342 1.00 0.00 H new ATOM 0 HA ALA A 47 3.768 5.309 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.063 3.956 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.735 5.598 -5.110 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.771 5.153 -3.682 1.00 0.00 H new ATOM 759 N PHE A 48 1.689 5.173 -4.053 1.00 0.00 N ATOM 760 CA PHE A 48 0.498 4.510 -3.550 1.00 0.00 C ATOM 761 C PHE A 48 -0.393 4.037 -4.700 1.00 0.00 C ATOM 762 O PHE A 48 -1.047 3.000 -4.597 1.00 0.00 O ATOM 763 CB PHE A 48 -0.269 5.540 -2.717 1.00 0.00 C ATOM 764 CG PHE A 48 -1.241 4.924 -1.709 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.278 4.159 -2.144 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.069 5.143 -0.378 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.180 3.587 -1.208 1.00 0.00 C ATOM 768 CE2 PHE A 48 -1.972 4.572 0.558 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.008 3.806 0.123 1.00 0.00 C ATOM 0 H PHE A 48 1.926 6.043 -3.576 1.00 0.00 H new ATOM 0 HA PHE A 48 0.779 3.637 -2.961 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.446 6.165 -2.182 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.824 6.195 -3.389 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.416 3.987 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.246 5.751 -0.033 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.002 2.978 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.836 4.746 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.694 3.372 0.835 1.00 0.00 H new ATOM 779 N SER A 49 -0.390 4.819 -5.769 1.00 0.00 N ATOM 780 CA SER A 49 -1.190 4.493 -6.938 1.00 0.00 C ATOM 781 C SER A 49 -0.749 3.146 -7.514 1.00 0.00 C ATOM 782 O SER A 49 -1.583 2.324 -7.888 1.00 0.00 O ATOM 783 CB SER A 49 -1.082 5.587 -8.002 1.00 0.00 C ATOM 784 OG SER A 49 -1.817 6.753 -7.645 1.00 0.00 O ATOM 0 H SER A 49 0.154 5.678 -5.851 1.00 0.00 H new ATOM 0 HA SER A 49 -2.234 4.425 -6.631 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.034 5.849 -8.147 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.449 5.204 -8.954 1.00 0.00 H new ATOM 0 HG SER A 49 -1.721 7.428 -8.349 1.00 0.00 H new ATOM 790 N CYS A 50 0.562 2.962 -7.567 1.00 0.00 N ATOM 791 CA CYS A 50 1.124 1.729 -8.092 1.00 0.00 C ATOM 792 C CYS A 50 0.480 0.555 -7.352 1.00 0.00 C ATOM 793 O CYS A 50 0.007 -0.393 -7.977 1.00 0.00 O ATOM 794 CB CYS A 50 2.650 1.708 -7.976 1.00 0.00 C ATOM 795 SG CYS A 50 3.529 2.677 -9.256 1.00 0.00 S ATOM 0 H CYS A 50 1.251 3.646 -7.255 1.00 0.00 H new ATOM 0 HA CYS A 50 0.905 1.651 -9.157 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.931 2.089 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.990 0.674 -8.026 1.00 0.00 H new ATOM 800 N PHE A 51 0.482 0.656 -6.031 1.00 0.00 N ATOM 801 CA PHE A 51 -0.096 -0.386 -5.199 1.00 0.00 C ATOM 802 C PHE A 51 -1.607 -0.486 -5.418 1.00 0.00 C ATOM 803 O PHE A 51 -2.216 -1.509 -5.108 1.00 0.00 O ATOM 804 CB PHE A 51 0.172 0.003 -3.744 1.00 0.00 C ATOM 805 CG PHE A 51 1.635 -0.142 -3.320 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.147 -1.374 -3.057 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.422 0.961 -3.207 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.505 -1.508 -2.663 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.780 0.826 -2.813 1.00 0.00 C ATOM 810 CZ PHE A 51 4.293 -0.406 -2.550 1.00 0.00 C ATOM 0 H PHE A 51 0.875 1.444 -5.516 1.00 0.00 H new ATOM 0 HA PHE A 51 0.345 -1.351 -5.450 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.139 1.037 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.447 -0.615 -3.094 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.522 -2.250 -3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.015 1.939 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.912 -2.486 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.405 1.702 -2.722 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.326 -0.509 -2.252 1.00 0.00 H new ATOM 820 N GLN A 52 -2.169 0.589 -5.951 1.00 0.00 N ATOM 821 CA GLN A 52 -3.597 0.635 -6.215 1.00 0.00 C ATOM 822 C GLN A 52 -3.900 0.050 -7.596 1.00 0.00 C ATOM 823 O GLN A 52 -4.922 -0.609 -7.784 1.00 0.00 O ATOM 824 CB GLN A 52 -4.131 2.063 -6.095 1.00 0.00 C ATOM 825 CG GLN A 52 -5.054 2.204 -4.883 1.00 0.00 C ATOM 826 CD GLN A 52 -6.496 2.474 -5.321 1.00 0.00 C ATOM 827 OE1 GLN A 52 -7.134 1.667 -5.976 1.00 0.00 O ATOM 828 NE2 GLN A 52 -6.970 3.650 -4.923 1.00 0.00 N ATOM 0 H GLN A 52 -1.661 1.435 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.105 0.028 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.298 2.760 -6.005 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.673 2.330 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.016 1.294 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.704 3.018 -4.248 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.381 4.279 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.922 3.924 -5.164 1.00 0.00 H new ATOM 837 N LYS A 53 -2.994 0.312 -8.526 1.00 0.00 N ATOM 838 CA LYS A 53 -3.152 -0.181 -9.884 1.00 0.00 C ATOM 839 C LYS A 53 -2.671 -1.631 -9.956 1.00 0.00 C ATOM 840 O LYS A 53 -3.220 -2.435 -10.707 1.00 0.00 O ATOM 841 CB LYS A 53 -2.451 0.750 -10.876 1.00 0.00 C ATOM 842 CG LYS A 53 -2.405 0.127 -12.273 1.00 0.00 C ATOM 843 CD LYS A 53 -0.964 0.000 -12.770 1.00 0.00 C ATOM 844 CE LYS A 53 -0.900 -0.808 -14.068 1.00 0.00 C ATOM 845 NZ LYS A 53 -0.836 0.095 -15.238 1.00 0.00 N ATOM 0 H LYS A 53 -2.148 0.859 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.204 -0.180 -10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.975 1.705 -10.917 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.437 0.957 -10.532 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.874 -0.857 -12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.980 0.740 -12.967 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.544 0.992 -12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.354 -0.483 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.026 -1.459 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.776 -1.452 -14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.793 -0.470 -16.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.683 0.698 -15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.013 0.692 -15.170 1.00 0.00 H new ATOM 859 N ALA A 54 -1.649 -1.922 -9.163 1.00 0.00 N ATOM 860 CA ALA A 54 -1.088 -3.261 -9.127 1.00 0.00 C ATOM 861 C ALA A 54 -2.222 -4.282 -9.017 1.00 0.00 C ATOM 862 O ALA A 54 -2.292 -5.225 -9.805 1.00 0.00 O ATOM 863 CB ALA A 54 -0.094 -3.367 -7.968 1.00 0.00 C ATOM 0 H ALA A 54 -1.196 -1.253 -8.541 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.542 -3.473 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.327 -4.372 -7.941 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.707 -2.641 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.608 -3.163 -7.028 1.00 0.00 H new ATOM 869 N GLN A 55 -3.082 -4.060 -8.035 1.00 0.00 N ATOM 870 CA GLN A 55 -4.210 -4.949 -7.812 1.00 0.00 C ATOM 871 C GLN A 55 -3.717 -6.346 -7.427 1.00 0.00 C ATOM 872 O GLN A 55 -2.932 -6.953 -8.154 1.00 0.00 O ATOM 873 CB GLN A 55 -5.114 -5.008 -9.045 1.00 0.00 C ATOM 874 CG GLN A 55 -6.284 -5.967 -8.822 1.00 0.00 C ATOM 875 CD GLN A 55 -7.160 -6.065 -10.073 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.058 -6.990 -10.862 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.022 -5.062 -10.209 1.00 0.00 N ATOM 0 H GLN A 55 -3.021 -3.277 -7.384 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.802 -4.553 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.494 -4.011 -9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.535 -5.331 -9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.904 -6.955 -8.561 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.884 -5.624 -7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.055 -4.319 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.651 -5.035 -11.012 1.00 0.00 H new ATOM 886 N LEU A 56 -4.198 -6.815 -6.285 1.00 0.00 N ATOM 887 CA LEU A 56 -3.816 -8.128 -5.795 1.00 0.00 C ATOM 888 C LEU A 56 -4.883 -9.148 -6.198 1.00 0.00 C ATOM 889 O LEU A 56 -6.078 -8.870 -6.108 1.00 0.00 O ATOM 890 CB LEU A 56 -3.548 -8.081 -4.290 1.00 0.00 C ATOM 891 CG LEU A 56 -3.257 -9.424 -3.618 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.545 -10.220 -3.402 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.217 -10.220 -4.410 1.00 0.00 C ATOM 0 H LEU A 56 -4.849 -6.309 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.880 -8.448 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.702 -7.418 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.413 -7.632 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.831 -9.228 -2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.309 -11.170 -2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.222 -9.651 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.023 -10.407 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.029 -11.170 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.591 -10.407 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.290 -9.650 -4.468 1.00 0.00 H new ATOM 905 N LYS A 57 -4.413 -10.308 -6.633 1.00 0.00 N ATOM 906 CA LYS A 57 -5.312 -11.370 -7.050 1.00 0.00 C ATOM 907 C LYS A 57 -4.878 -12.685 -6.398 1.00 0.00 C ATOM 908 O LYS A 57 -3.690 -12.999 -6.358 1.00 0.00 O ATOM 909 CB LYS A 57 -5.390 -11.438 -8.576 1.00 0.00 C ATOM 910 CG LYS A 57 -6.786 -11.866 -9.035 1.00 0.00 C ATOM 911 CD LYS A 57 -7.745 -10.674 -9.058 1.00 0.00 C ATOM 912 CE LYS A 57 -9.196 -11.141 -9.197 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.113 -9.979 -9.227 1.00 0.00 N ATOM 0 H LYS A 57 -3.421 -10.535 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.327 -11.164 -6.711 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.147 -10.464 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.648 -12.143 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.726 -12.308 -10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.172 -12.635 -8.367 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.632 -10.094 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.491 -10.014 -9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.310 -11.726 -10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.455 -11.795 -8.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.093 -10.313 -9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.015 -9.437 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.875 -9.370 -10.036 1.00 0.00 H new ATOM 927 N SER A 58 -5.865 -13.417 -5.902 1.00 0.00 N ATOM 928 CA SER A 58 -5.600 -14.690 -5.254 1.00 0.00 C ATOM 929 C SER A 58 -5.308 -15.762 -6.305 1.00 0.00 C ATOM 930 O SER A 58 -5.664 -15.605 -7.472 1.00 0.00 O ATOM 931 CB SER A 58 -6.778 -15.116 -4.375 1.00 0.00 C ATOM 932 OG SER A 58 -7.987 -14.462 -4.749 1.00 0.00 O ATOM 0 H SER A 58 -6.850 -13.153 -5.936 1.00 0.00 H new ATOM 0 HA SER A 58 -4.727 -14.572 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.912 -16.195 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.552 -14.892 -3.332 1.00 0.00 H new ATOM 0 HG SER A 58 -8.529 -15.066 -5.299 1.00 0.00 H new ATOM 938 N ALA A 59 -4.662 -16.827 -5.854 1.00 0.00 N ATOM 939 CA ALA A 59 -4.317 -17.925 -6.742 1.00 0.00 C ATOM 940 C ALA A 59 -5.522 -18.259 -7.624 1.00 0.00 C ATOM 941 O ALA A 59 -5.363 -18.792 -8.721 1.00 0.00 O ATOM 942 CB ALA A 59 -3.851 -19.124 -5.914 1.00 0.00 C ATOM 0 H ALA A 59 -4.368 -16.953 -4.885 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.495 -17.643 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.592 -19.947 -6.580 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.976 -18.843 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.652 -19.437 -5.244 1.00 0.00 H new ATOM 948 N ASN A 60 -6.699 -17.931 -7.112 1.00 0.00 N ATOM 949 CA ASN A 60 -7.929 -18.190 -7.840 1.00 0.00 C ATOM 950 C ASN A 60 -8.346 -19.647 -7.628 1.00 0.00 C ATOM 951 O ASN A 60 -8.678 -20.347 -8.583 1.00 0.00 O ATOM 952 CB ASN A 60 -7.738 -17.967 -9.342 1.00 0.00 C ATOM 953 CG ASN A 60 -8.923 -17.204 -9.938 1.00 0.00 C ATOM 954 OD1 ASN A 60 -9.949 -17.009 -9.308 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.724 -16.786 -11.185 1.00 0.00 N ATOM 0 H ASN A 60 -6.827 -17.488 -6.202 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.691 -17.505 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.817 -17.410 -9.516 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.629 -18.928 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.455 -16.268 -11.672 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.840 -16.984 -11.654 1.00 0.00 H new ATOM 962 N THR A 61 -8.316 -20.059 -6.369 1.00 0.00 N ATOM 963 CA THR A 61 -8.687 -21.420 -6.019 1.00 0.00 C ATOM 964 C THR A 61 -8.317 -21.716 -4.564 1.00 0.00 C ATOM 965 O THR A 61 -8.979 -22.512 -3.901 1.00 0.00 O ATOM 966 CB THR A 61 -8.019 -22.365 -7.020 1.00 0.00 C ATOM 967 OG1 THR A 61 -7.926 -23.602 -6.320 1.00 0.00 O ATOM 968 CG2 THR A 61 -6.564 -21.985 -7.303 1.00 0.00 C ATOM 0 H THR A 61 -8.041 -19.475 -5.579 1.00 0.00 H new ATOM 0 HA THR A 61 -9.765 -21.565 -6.084 1.00 0.00 H new ATOM 0 HB THR A 61 -8.582 -22.363 -7.953 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.505 -24.273 -6.897 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.137 -22.687 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 61 -6.525 -20.977 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.992 -22.020 -6.376 1.00 0.00 H new ATOM 976 N GLY A 62 -7.259 -21.059 -4.111 1.00 0.00 N ATOM 977 CA GLY A 62 -6.793 -21.242 -2.747 1.00 0.00 C ATOM 978 C GLY A 62 -7.771 -20.624 -1.746 1.00 0.00 C ATOM 979 O GLY A 62 -8.442 -19.641 -2.054 1.00 0.00 O ATOM 0 H GLY A 62 -6.712 -20.400 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.677 -22.305 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.810 -20.785 -2.630 1.00 0.00 H new ATOM 983 N ASN A 63 -7.820 -21.226 -0.566 1.00 0.00 N ATOM 984 CA ASN A 63 -8.704 -20.748 0.482 1.00 0.00 C ATOM 985 C ASN A 63 -8.458 -19.255 0.709 1.00 0.00 C ATOM 986 O ASN A 63 -7.675 -18.635 -0.009 1.00 0.00 O ATOM 987 CB ASN A 63 -8.439 -21.476 1.801 1.00 0.00 C ATOM 988 CG ASN A 63 -9.421 -22.633 1.996 1.00 0.00 C ATOM 989 OD1 ASN A 63 -9.631 -23.457 1.122 1.00 0.00 O ATOM 990 ND2 ASN A 63 -10.010 -22.647 3.188 1.00 0.00 N ATOM 0 H ASN A 63 -7.261 -22.041 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.731 -20.934 0.167 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.417 -21.856 1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.528 -20.775 2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.683 -23.379 3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.789 -21.926 3.875 1.00 0.00 H new ATOM 997 N ASN A 64 -9.143 -18.720 1.709 1.00 0.00 N ATOM 998 CA ASN A 64 -9.009 -17.311 2.039 1.00 0.00 C ATOM 999 C ASN A 64 -9.127 -16.479 0.761 1.00 0.00 C ATOM 1000 O ASN A 64 -8.544 -15.400 0.662 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.645 -17.020 2.668 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.240 -18.132 3.638 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.851 -18.341 4.673 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -6.178 -18.831 3.248 1.00 0.00 N ATOM 0 H ASN A 64 -9.793 -19.237 2.302 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.796 -17.055 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.893 -16.924 1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.680 -16.067 3.196 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.829 -19.594 3.828 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.713 -18.604 2.369 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.886 -17.011 -0.186 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.089 -16.331 -1.454 1.00 0.00 C ATOM 1013 C GLU A 65 -11.010 -15.124 -1.267 1.00 0.00 C ATOM 1014 O GLU A 65 -10.721 -14.036 -1.763 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.648 -17.290 -2.507 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.100 -16.957 -3.897 1.00 0.00 C ATOM 1017 CD GLU A 65 -10.997 -15.943 -4.611 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.311 -14.915 -3.972 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.348 -16.219 -5.778 1.00 0.00 O ATOM 0 H GLU A 65 -10.368 -17.906 -0.100 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.123 -15.974 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.387 -18.315 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.736 -17.231 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.091 -16.555 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.029 -17.868 -4.492 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.100 -15.356 -0.551 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.065 -14.302 -0.293 1.00 0.00 C ATOM 1028 C ARG A 66 -12.474 -13.264 0.664 1.00 0.00 C ATOM 1029 O ARG A 66 -12.692 -12.065 0.497 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.351 -14.868 0.312 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.336 -13.748 0.654 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.853 -13.065 -0.614 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.297 -13.341 -0.784 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.950 -13.234 -1.949 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -17.292 -12.856 -3.054 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -19.261 -13.504 -2.010 1.00 0.00 N ATOM 0 H ARG A 66 -12.336 -16.260 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.302 -13.830 -1.246 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.813 -15.561 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.114 -15.436 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.174 -14.156 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.848 -13.013 1.294 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.685 -11.990 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.301 -13.425 -1.482 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.828 -13.631 0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.294 -12.650 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.789 -12.775 -3.941 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.762 -13.791 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.758 -13.422 -2.897 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.737 -13.763 1.646 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.113 -12.894 2.629 1.00 0.00 C ATOM 1052 C ILE A 67 -9.997 -12.091 1.958 1.00 0.00 C ATOM 1053 O ILE A 67 -9.430 -11.182 2.564 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.646 -13.703 3.840 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.631 -12.841 5.104 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.286 -14.353 3.573 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.994 -12.186 5.337 1.00 0.00 C ATOM 0 H ILE A 67 -11.558 -14.758 1.782 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.836 -12.175 3.015 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.361 -14.508 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.367 -13.456 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.864 -12.071 5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.977 -14.922 4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.364 -15.021 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.548 -13.579 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.956 -11.579 6.242 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.244 -11.553 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.754 -12.959 5.450 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.714 -12.455 0.716 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.675 -11.780 -0.044 1.00 0.00 C ATOM 1071 C ILE A 68 -9.300 -10.641 -0.853 1.00 0.00 C ATOM 1072 O ILE A 68 -8.763 -9.535 -0.891 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.896 -12.784 -0.895 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.440 -12.880 -0.435 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -8.005 -12.443 -2.383 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.226 -14.105 0.456 1.00 0.00 C ATOM 0 H ILE A 68 -10.186 -13.209 0.217 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.943 -11.331 0.627 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.343 -13.768 -0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.784 -12.938 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.167 -11.977 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.442 -13.172 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.052 -12.466 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.599 -11.447 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.183 -14.149 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.866 -14.032 1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.477 -15.008 -0.101 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.424 -10.952 -1.481 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.128 -9.969 -2.287 1.00 0.00 C ATOM 1090 C ASN A 69 -11.482 -8.761 -1.417 1.00 0.00 C ATOM 1091 O ASN A 69 -11.702 -7.665 -1.930 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.429 -10.545 -2.848 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.268 -9.455 -3.518 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -13.118 -9.154 -4.691 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.156 -8.884 -2.710 1.00 0.00 N ATOM 0 H ASN A 69 -10.865 -11.871 -1.448 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.476 -9.681 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.202 -11.329 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.002 -11.008 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.765 -8.145 -3.062 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.229 -9.185 -1.738 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.526 -9.003 -0.115 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.850 -7.949 0.831 1.00 0.00 C ATOM 1104 C VAL A 70 -10.671 -6.978 0.930 1.00 0.00 C ATOM 1105 O VAL A 70 -10.866 -5.776 1.103 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.237 -8.558 2.181 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.245 -9.694 2.000 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.999 -9.038 2.941 1.00 0.00 C ATOM 0 H VAL A 70 -11.343 -9.913 0.307 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.713 -7.379 0.487 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.714 -7.779 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.504 -10.110 2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.144 -9.309 1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.806 -10.474 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.302 -9.466 3.896 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.481 -9.795 2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.331 -8.195 3.117 1.00 0.00 H new ATOM 1118 N SER A 71 -9.475 -7.536 0.815 1.00 0.00 N ATOM 1119 CA SER A 71 -8.265 -6.735 0.889 1.00 0.00 C ATOM 1120 C SER A 71 -8.131 -5.872 -0.368 1.00 0.00 C ATOM 1121 O SER A 71 -7.292 -4.975 -0.423 1.00 0.00 O ATOM 1122 CB SER A 71 -7.029 -7.619 1.061 1.00 0.00 C ATOM 1123 OG SER A 71 -6.777 -8.414 -0.094 1.00 0.00 O ATOM 0 H SER A 71 -9.318 -8.534 0.671 1.00 0.00 H new ATOM 0 HA SER A 71 -8.337 -6.086 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.161 -6.993 1.266 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.165 -8.269 1.926 1.00 0.00 H new ATOM 0 HG SER A 71 -7.585 -8.453 -0.647 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.971 -6.175 -1.347 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.957 -5.439 -2.599 1.00 0.00 C ATOM 1131 C ILE A 72 -9.536 -4.041 -2.371 1.00 0.00 C ATOM 1132 O ILE A 72 -8.836 -3.042 -2.525 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.675 -6.231 -3.694 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.279 -7.708 -3.652 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.428 -5.610 -5.071 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.798 -7.889 -3.991 1.00 0.00 C ATOM 0 H ILE A 72 -9.666 -6.920 -1.298 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.934 -5.307 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.747 -6.180 -3.505 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.481 -8.114 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.889 -8.272 -4.358 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.949 -6.192 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.800 -4.585 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.359 -5.610 -5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.543 -8.948 -3.954 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.604 -7.504 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.190 -7.344 -3.269 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.810 -4.015 -2.008 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.492 -2.757 -1.757 1.00 0.00 C ATOM 1150 C LYS A 73 -10.570 -1.833 -0.958 1.00 0.00 C ATOM 1151 O LYS A 73 -10.330 -0.695 -1.357 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.845 -3.005 -1.088 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.919 -3.331 -2.127 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.210 -3.799 -1.453 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.422 -3.547 -2.353 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.280 -2.485 -1.781 1.00 0.00 N ATOM 0 H LYS A 73 -11.388 -4.846 -1.882 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.716 -2.251 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.758 -3.828 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.140 -2.124 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.121 -2.449 -2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.555 -4.106 -2.801 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.139 -4.862 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.341 -3.275 -0.506 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.089 -3.256 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.997 -4.466 -2.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.098 -2.326 -2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.613 -2.777 -0.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.733 -1.604 -1.697 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.080 -2.358 0.155 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.190 -1.595 1.013 1.00 0.00 C ATOM 1172 C LYS A 74 -7.936 -1.209 0.226 1.00 0.00 C ATOM 1173 O LYS A 74 -7.615 -0.027 0.105 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.894 -2.368 2.300 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.931 -2.053 3.380 1.00 0.00 C ATOM 1176 CD LYS A 74 -11.062 -3.084 3.371 1.00 0.00 C ATOM 1177 CE LYS A 74 -12.297 -2.537 2.653 1.00 0.00 C ATOM 1178 NZ LYS A 74 -13.439 -3.465 2.805 1.00 0.00 N ATOM 0 H LYS A 74 -10.282 -3.303 0.482 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.668 -0.667 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.893 -3.438 2.093 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.898 -2.112 2.661 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.451 -2.043 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.341 -1.056 3.216 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.724 -3.995 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.322 -3.353 4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.558 -1.560 3.060 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.076 -2.393 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.269 -3.078 2.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.192 -4.389 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.660 -3.581 3.815 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.262 -2.226 -0.289 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.051 -2.008 -1.061 1.00 0.00 C ATOM 1194 C LEU A 75 -6.270 -0.839 -2.025 1.00 0.00 C ATOM 1195 O LEU A 75 -5.380 -0.011 -2.214 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.615 -3.301 -1.752 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.645 -3.142 -2.925 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.385 -3.982 -2.712 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.332 -3.465 -4.253 1.00 0.00 C ATOM 0 H LEU A 75 -7.532 -3.204 -0.187 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.226 -1.731 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.151 -3.948 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.506 -3.816 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.332 -2.099 -2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.713 -3.851 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.884 -3.661 -1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.659 -5.033 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.620 -3.344 -5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.693 -4.493 -4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.173 -2.788 -4.402 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.459 -0.810 -2.609 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.806 0.243 -3.548 1.00 0.00 C ATOM 1213 C LYS A 76 -8.091 1.533 -2.778 1.00 0.00 C ATOM 1214 O LYS A 76 -9.177 2.100 -2.891 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.958 -0.203 -4.451 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.432 -0.878 -5.719 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.258 -0.469 -6.941 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.695 -1.697 -7.743 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.988 -1.442 -8.416 1.00 0.00 N ATOM 0 H LYS A 76 -8.194 -1.499 -2.450 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.970 0.449 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.604 -0.894 -3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.568 0.659 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.388 -0.606 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.465 -1.961 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.136 0.092 -6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.671 0.194 -7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.935 -1.944 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.786 -2.558 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.271 -2.285 -8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.714 -1.228 -7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.889 -0.634 -9.063 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.098 1.960 -2.013 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.228 3.174 -1.225 1.00 0.00 C ATOM 1235 C ARG A 77 -6.565 4.349 -1.945 1.00 0.00 C ATOM 1236 O ARG A 77 -5.523 4.185 -2.579 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.591 3.005 0.156 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.399 3.741 1.227 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.425 2.810 1.875 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.795 3.224 1.496 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.901 2.533 1.804 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.805 1.390 2.497 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.102 2.984 1.418 1.00 0.00 N ATOM 0 H ARG A 77 -6.199 1.487 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.292 3.375 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.530 1.946 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.570 3.387 0.139 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.726 4.134 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.908 4.595 0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.246 1.782 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -8.316 2.834 2.959 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.904 4.089 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.890 1.046 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.647 0.864 2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.175 3.853 0.890 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.944 2.458 1.652 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.195 5.508 -1.824 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.678 6.711 -2.456 1.00 0.00 C ATOM 1259 C LYS A 78 -5.962 7.565 -1.408 1.00 0.00 C ATOM 1260 O LYS A 78 -6.287 7.502 -0.223 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.796 7.451 -3.193 1.00 0.00 C ATOM 1262 CG LYS A 78 -7.965 6.912 -4.615 1.00 0.00 C ATOM 1263 CD LYS A 78 -7.507 7.942 -5.650 1.00 0.00 C ATOM 1264 CE LYS A 78 -8.058 7.608 -7.037 1.00 0.00 C ATOM 1265 NZ LYS A 78 -8.780 8.770 -7.601 1.00 0.00 N ATOM 0 H LYS A 78 -8.059 5.640 -1.298 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.941 6.455 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.732 7.342 -2.645 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.570 8.517 -3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.389 5.994 -4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.010 6.656 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.841 8.936 -5.352 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.418 7.969 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.241 7.323 -7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.729 6.752 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.148 8.526 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.571 9.024 -6.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.129 9.577 -7.682 1.00 0.00 H new ATOM 1279 N PRO A 79 -4.975 8.364 -1.894 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.211 9.230 -1.013 1.00 0.00 C ATOM 1281 C PRO A 79 -5.035 10.447 -0.589 1.00 0.00 C ATOM 1282 O PRO A 79 -6.141 10.656 -1.085 1.00 0.00 O ATOM 1283 CB PRO A 79 -2.969 9.601 -1.807 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.302 9.313 -3.262 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.563 8.465 -3.291 1.00 0.00 C ATOM 0 HA PRO A 79 -3.939 8.743 -0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -2.714 10.651 -1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.108 9.017 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.454 10.243 -3.810 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.478 8.789 -3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.339 8.930 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.369 7.481 -3.719 1.00 0.00 H new ATOM 1293 N PRO A 80 -4.450 11.240 0.348 1.00 0.00 N ATOM 1294 CA PRO A 80 -5.118 12.430 0.845 1.00 0.00 C ATOM 1295 C PRO A 80 -5.069 13.558 -0.189 1.00 0.00 C ATOM 1296 O PRO A 80 -4.616 13.354 -1.314 1.00 0.00 O ATOM 1297 CB PRO A 80 -4.396 12.777 2.137 1.00 0.00 C ATOM 1298 CG PRO A 80 -3.063 12.050 2.077 1.00 0.00 C ATOM 1299 CD PRO A 80 -3.141 11.024 0.958 1.00 0.00 C ATOM 0 HA PRO A 80 -6.180 12.270 1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.250 13.854 2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -4.975 12.461 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.252 12.755 1.893 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.851 11.562 3.028 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.338 11.166 0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.047 10.009 1.344 1.00 0.00 H new ATOM 1307 N SER A 81 -5.542 14.722 0.230 1.00 0.00 N ATOM 1308 CA SER A 81 -5.558 15.882 -0.645 1.00 0.00 C ATOM 1309 C SER A 81 -4.254 15.954 -1.442 1.00 0.00 C ATOM 1310 O SER A 81 -4.271 16.210 -2.645 1.00 0.00 O ATOM 1311 CB SER A 81 -5.764 17.171 0.153 1.00 0.00 C ATOM 1312 OG SER A 81 -6.992 17.814 -0.179 1.00 0.00 O ATOM 0 H SER A 81 -5.917 14.887 1.164 1.00 0.00 H new ATOM 0 HA SER A 81 -6.394 15.777 -1.337 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.750 16.944 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.935 17.852 -0.038 1.00 0.00 H new ATOM 0 HG SER A 81 -7.087 18.632 0.353 1.00 0.00 H new ATOM 1318 N THR A 82 -3.155 15.723 -0.740 1.00 0.00 N ATOM 1319 CA THR A 82 -1.844 15.758 -1.367 1.00 0.00 C ATOM 1320 C THR A 82 -1.642 14.525 -2.250 1.00 0.00 C ATOM 1321 O THR A 82 -0.695 13.765 -2.054 1.00 0.00 O ATOM 1322 CB THR A 82 -0.795 15.893 -0.262 1.00 0.00 C ATOM 1323 OG1 THR A 82 0.448 15.759 -0.946 1.00 0.00 O ATOM 1324 CG2 THR A 82 -0.814 14.713 0.711 1.00 0.00 C ATOM 0 H THR A 82 -3.145 15.511 0.258 1.00 0.00 H new ATOM 0 HA THR A 82 -1.747 16.615 -2.033 1.00 0.00 H new ATOM 0 HB THR A 82 -0.964 16.819 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.518 14.858 -1.324 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.050 14.859 1.475 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.794 14.648 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.612 13.790 0.168 1.00 0.00 H new ATOM 1332 N ASN A 83 -2.549 14.364 -3.203 1.00 0.00 N ATOM 1333 CA ASN A 83 -2.482 13.236 -4.116 1.00 0.00 C ATOM 1334 C ASN A 83 -1.514 13.564 -5.254 1.00 0.00 C ATOM 1335 O ASN A 83 -1.936 13.787 -6.388 1.00 0.00 O ATOM 1336 CB ASN A 83 -3.852 12.943 -4.730 1.00 0.00 C ATOM 1337 CG ASN A 83 -3.741 11.903 -5.847 1.00 0.00 C ATOM 1338 OD1 ASN A 83 -2.734 11.234 -6.010 1.00 0.00 O ATOM 1339 ND2 ASN A 83 -4.830 11.805 -6.605 1.00 0.00 N ATOM 0 H ASN A 83 -3.334 14.996 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.146 12.365 -3.553 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.531 12.581 -3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.281 13.863 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -4.856 11.139 -7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.639 12.396 -6.414 1.00 0.00 H new ATOM 1346 N ALA A 84 -0.234 13.582 -4.913 1.00 0.00 N ATOM 1347 CA ALA A 84 0.798 13.879 -5.892 1.00 0.00 C ATOM 1348 C ALA A 84 0.538 13.067 -7.163 1.00 0.00 C ATOM 1349 O ALA A 84 -0.117 12.027 -7.116 1.00 0.00 O ATOM 1350 CB ALA A 84 2.174 13.591 -5.288 1.00 0.00 C ATOM 0 H ALA A 84 0.112 13.396 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 84 0.776 14.934 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.948 13.814 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.321 14.213 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.234 12.540 -5.005 1.00 0.00 H new ATOM 1356 N GLY A 85 1.063 13.574 -8.269 1.00 0.00 N ATOM 1357 CA GLY A 85 0.896 12.909 -9.549 1.00 0.00 C ATOM 1358 C GLY A 85 2.252 12.584 -10.180 1.00 0.00 C ATOM 1359 O GLY A 85 2.959 11.692 -9.716 1.00 0.00 O ATOM 0 H GLY A 85 1.604 14.438 -8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.324 11.991 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.321 13.546 -10.221 1.00 0.00 H new ATOM 1363 N ARG A 86 2.573 13.327 -11.229 1.00 0.00 N ATOM 1364 CA ARG A 86 3.831 13.130 -11.928 1.00 0.00 C ATOM 1365 C ARG A 86 4.609 14.446 -12.004 1.00 0.00 C ATOM 1366 O ARG A 86 5.663 14.585 -11.385 1.00 0.00 O ATOM 1367 CB ARG A 86 3.598 12.602 -13.345 1.00 0.00 C ATOM 1368 CG ARG A 86 3.093 11.158 -13.316 1.00 0.00 C ATOM 1369 CD ARG A 86 1.571 11.106 -13.459 1.00 0.00 C ATOM 1370 NE ARG A 86 1.180 9.956 -14.304 1.00 0.00 N ATOM 1371 CZ ARG A 86 1.180 8.683 -13.885 1.00 0.00 C ATOM 1372 NH1 ARG A 86 1.548 8.389 -12.631 1.00 0.00 N ATOM 1373 NH2 ARG A 86 0.810 7.703 -14.722 1.00 0.00 N ATOM 0 H ARG A 86 1.984 14.066 -11.612 1.00 0.00 H new ATOM 0 HA ARG A 86 4.408 12.394 -11.368 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.873 13.234 -13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.526 12.655 -13.914 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.557 10.591 -14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.390 10.684 -12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.108 11.019 -12.476 1.00 0.00 H new ATOM 0 HD3 ARG A 86 1.207 12.033 -13.902 1.00 0.00 H new ATOM 0 HE ARG A 86 0.893 10.144 -15.265 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.829 9.134 -11.994 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.548 7.420 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.529 7.927 -15.677 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.810 6.734 -14.404 1.00 0.00 H new ATOM 1387 N ARG A 87 4.058 15.379 -12.767 1.00 0.00 N ATOM 1388 CA ARG A 87 4.686 16.679 -12.931 1.00 0.00 C ATOM 1389 C ARG A 87 3.800 17.775 -12.337 1.00 0.00 C ATOM 1390 O ARG A 87 2.643 17.529 -12.001 1.00 0.00 O ATOM 1391 CB ARG A 87 4.943 16.984 -14.408 1.00 0.00 C ATOM 1392 CG ARG A 87 6.429 17.238 -14.666 1.00 0.00 C ATOM 1393 CD ARG A 87 6.627 18.152 -15.877 1.00 0.00 C ATOM 1394 NE ARG A 87 6.805 19.552 -15.432 1.00 0.00 N ATOM 1395 CZ ARG A 87 7.139 20.562 -16.246 1.00 0.00 C ATOM 1396 NH1 ARG A 87 7.335 20.334 -17.552 1.00 0.00 N ATOM 1397 NH2 ARG A 87 7.278 21.801 -15.754 1.00 0.00 N ATOM 0 H ARG A 87 3.184 15.260 -13.278 1.00 0.00 H new ATOM 0 HA ARG A 87 5.641 16.655 -12.406 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.602 16.149 -15.020 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.364 17.857 -14.709 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.882 17.692 -13.785 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.940 16.290 -14.834 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.498 17.830 -16.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.766 18.080 -16.542 1.00 0.00 H new ATOM 0 HE ARG A 87 6.665 19.761 -14.444 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.230 19.391 -17.927 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.589 21.103 -18.171 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.129 21.975 -14.760 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.532 22.570 -16.374 1.00 0.00 H new ATOM 1411 N GLN A 88 4.378 18.962 -12.225 1.00 0.00 N ATOM 1412 CA GLN A 88 3.655 20.098 -11.677 1.00 0.00 C ATOM 1413 C GLN A 88 3.757 20.105 -10.150 1.00 0.00 C ATOM 1414 O GLN A 88 4.017 21.145 -9.547 1.00 0.00 O ATOM 1415 CB GLN A 88 2.194 20.087 -12.129 1.00 0.00 C ATOM 1416 CG GLN A 88 1.723 21.496 -12.494 1.00 0.00 C ATOM 1417 CD GLN A 88 0.620 21.448 -13.554 1.00 0.00 C ATOM 1418 OE1 GLN A 88 -0.562 21.515 -13.259 1.00 0.00 O ATOM 1419 NE2 GLN A 88 1.071 21.328 -14.799 1.00 0.00 N ATOM 0 H GLN A 88 5.338 19.162 -12.504 1.00 0.00 H new ATOM 0 HA GLN A 88 4.111 21.012 -12.056 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.081 19.427 -12.989 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.567 19.684 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.354 22.002 -11.602 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.565 22.080 -12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 88 2.074 21.277 -14.975 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.414 21.287 -15.578 1.00 0.00 H new ATOM 1428 N LYS A 89 3.547 18.933 -9.569 1.00 0.00 N ATOM 1429 CA LYS A 89 3.612 18.791 -8.125 1.00 0.00 C ATOM 1430 C LYS A 89 4.852 19.518 -7.600 1.00 0.00 C ATOM 1431 O LYS A 89 5.976 19.069 -7.817 1.00 0.00 O ATOM 1432 CB LYS A 89 3.550 17.315 -7.728 1.00 0.00 C ATOM 1433 CG LYS A 89 2.382 17.051 -6.775 1.00 0.00 C ATOM 1434 CD LYS A 89 1.046 17.397 -7.437 1.00 0.00 C ATOM 1435 CE LYS A 89 0.085 18.034 -6.432 1.00 0.00 C ATOM 1436 NZ LYS A 89 -1.313 17.914 -6.904 1.00 0.00 N ATOM 0 H LYS A 89 3.332 18.073 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 89 2.746 19.259 -7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.442 16.699 -8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 89 4.486 17.024 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.383 16.003 -6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.507 17.643 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.215 18.081 -8.268 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.598 16.495 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.190 17.549 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.339 19.085 -6.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -1.952 18.351 -6.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -1.413 18.397 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.557 16.909 -7.014 1.00 0.00 H new ATOM 1450 N HIS A 90 4.605 20.628 -6.921 1.00 0.00 N ATOM 1451 CA HIS A 90 5.687 21.421 -6.364 1.00 0.00 C ATOM 1452 C HIS A 90 6.535 20.551 -5.434 1.00 0.00 C ATOM 1453 O HIS A 90 7.762 20.638 -5.445 1.00 0.00 O ATOM 1454 CB HIS A 90 5.144 22.673 -5.672 1.00 0.00 C ATOM 1455 CG HIS A 90 6.211 23.551 -5.064 1.00 0.00 C ATOM 1456 ND1 HIS A 90 6.255 24.921 -5.258 1.00 0.00 N ATOM 1457 CD2 HIS A 90 7.272 23.241 -4.265 1.00 0.00 C ATOM 1458 CE1 HIS A 90 7.300 25.403 -4.601 1.00 0.00 C ATOM 1459 NE2 HIS A 90 7.929 24.361 -3.987 1.00 0.00 N ATOM 0 H HIS A 90 3.671 20.997 -6.744 1.00 0.00 H new ATOM 0 HA HIS A 90 6.335 21.773 -7.167 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.576 23.258 -6.395 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.448 22.370 -4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 90 7.533 22.252 -3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 90 7.601 26.439 -4.559 1.00 0.00 H new ATOM 0 HE2 HIS A 90 8.767 24.430 -3.409 1.00 0.00 H new ATOM 1467 N ARG A 91 5.848 19.732 -4.652 1.00 0.00 N ATOM 1468 CA ARG A 91 6.522 18.847 -3.718 1.00 0.00 C ATOM 1469 C ARG A 91 7.361 17.816 -4.475 1.00 0.00 C ATOM 1470 O ARG A 91 6.985 16.648 -4.563 1.00 0.00 O ATOM 1471 CB ARG A 91 5.516 18.119 -2.824 1.00 0.00 C ATOM 1472 CG ARG A 91 5.208 18.935 -1.567 1.00 0.00 C ATOM 1473 CD ARG A 91 4.030 19.882 -1.803 1.00 0.00 C ATOM 1474 NE ARG A 91 4.058 20.981 -0.812 1.00 0.00 N ATOM 1475 CZ ARG A 91 3.774 20.828 0.488 1.00 0.00 C ATOM 1476 NH1 ARG A 91 3.439 19.620 0.963 1.00 0.00 N ATOM 1477 NH2 ARG A 91 3.825 21.882 1.314 1.00 0.00 N ATOM 0 H ARG A 91 4.830 19.663 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 91 7.171 19.459 -3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.595 17.938 -3.379 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.914 17.145 -2.541 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.979 18.263 -0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.088 19.509 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.077 20.290 -2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.091 19.334 -1.725 1.00 0.00 H new ATOM 0 HE ARG A 91 4.309 21.914 -1.140 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.400 18.818 0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.223 19.503 1.953 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.080 22.801 0.953 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.609 21.765 2.304 1.00 0.00 H new ATOM 1491 N LEU A 92 8.482 18.284 -5.004 1.00 0.00 N ATOM 1492 CA LEU A 92 9.377 17.417 -5.751 1.00 0.00 C ATOM 1493 C LEU A 92 8.648 16.880 -6.984 1.00 0.00 C ATOM 1494 O LEU A 92 7.418 16.875 -7.029 1.00 0.00 O ATOM 1495 CB LEU A 92 9.942 16.322 -4.845 1.00 0.00 C ATOM 1496 CG LEU A 92 10.286 16.746 -3.415 1.00 0.00 C ATOM 1497 CD1 LEU A 92 9.054 16.679 -2.512 1.00 0.00 C ATOM 1498 CD2 LEU A 92 11.447 15.916 -2.862 1.00 0.00 C ATOM 0 H LEU A 92 8.791 19.253 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 92 10.240 17.978 -6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.219 15.508 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 92 10.842 15.921 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 92 10.614 17.785 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.326 16.985 -1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 92 8.283 17.346 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.673 15.658 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.672 16.237 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.171 14.862 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.327 16.057 -3.490 1.00 0.00 H new ATOM 1510 N THR A 93 9.436 16.440 -7.954 1.00 0.00 N ATOM 1511 CA THR A 93 8.881 15.902 -9.184 1.00 0.00 C ATOM 1512 C THR A 93 9.090 14.387 -9.245 1.00 0.00 C ATOM 1513 O THR A 93 9.971 13.907 -9.957 1.00 0.00 O ATOM 1514 CB THR A 93 9.516 16.651 -10.357 1.00 0.00 C ATOM 1515 OG1 THR A 93 8.859 17.916 -10.357 1.00 0.00 O ATOM 1516 CG2 THR A 93 9.148 16.039 -11.710 1.00 0.00 C ATOM 0 H THR A 93 10.455 16.445 -7.913 1.00 0.00 H new ATOM 0 HA THR A 93 7.802 16.052 -9.230 1.00 0.00 H new ATOM 0 HB THR A 93 10.600 16.653 -10.243 1.00 0.00 H new ATOM 0 HG1 THR A 93 9.212 18.468 -11.086 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.624 16.608 -12.508 1.00 0.00 H new ATOM 0 HG22 THR A 93 9.491 15.005 -11.747 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.066 16.067 -11.840 1.00 0.00 H new ATOM 1524 N CYS A 94 8.266 13.677 -8.489 1.00 0.00 N ATOM 1525 CA CYS A 94 8.350 12.227 -8.449 1.00 0.00 C ATOM 1526 C CYS A 94 8.155 11.695 -9.870 1.00 0.00 C ATOM 1527 O CYS A 94 7.354 12.231 -10.633 1.00 0.00 O ATOM 1528 CB CYS A 94 7.336 11.629 -7.472 1.00 0.00 C ATOM 1529 SG CYS A 94 6.926 9.871 -7.772 1.00 0.00 S ATOM 0 H CYS A 94 7.537 14.079 -7.899 1.00 0.00 H new ATOM 0 HA CYS A 94 9.331 11.927 -8.081 1.00 0.00 H new ATOM 0 HB2 CYS A 94 7.726 11.729 -6.459 1.00 0.00 H new ATOM 0 HB3 CYS A 94 6.418 12.215 -7.519 1.00 0.00 H new ATOM 1534 N PRO A 95 8.923 10.619 -10.191 1.00 0.00 N ATOM 1535 CA PRO A 95 8.843 10.008 -11.507 1.00 0.00 C ATOM 1536 C PRO A 95 7.563 9.182 -11.651 1.00 0.00 C ATOM 1537 O PRO A 95 6.938 8.820 -10.655 1.00 0.00 O ATOM 1538 CB PRO A 95 10.106 9.172 -11.630 1.00 0.00 C ATOM 1539 CG PRO A 95 10.615 8.974 -10.212 1.00 0.00 C ATOM 1540 CD PRO A 95 9.883 9.957 -9.313 1.00 0.00 C ATOM 0 HA PRO A 95 8.788 10.743 -12.310 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.896 8.215 -12.107 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.850 9.677 -12.245 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.438 7.950 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.691 9.142 -10.166 1.00 0.00 H new ATOM 0 HD2 PRO A 95 9.381 9.445 -8.492 1.00 0.00 H new ATOM 0 HD3 PRO A 95 10.572 10.674 -8.867 1.00 0.00 H new ATOM 1548 N SER A 96 7.210 8.909 -12.899 1.00 0.00 N ATOM 1549 CA SER A 96 6.016 8.132 -13.186 1.00 0.00 C ATOM 1550 C SER A 96 5.891 6.977 -12.191 1.00 0.00 C ATOM 1551 O SER A 96 6.873 6.586 -11.561 1.00 0.00 O ATOM 1552 CB SER A 96 6.038 7.598 -14.620 1.00 0.00 C ATOM 1553 OG SER A 96 5.606 8.577 -15.561 1.00 0.00 O ATOM 0 H SER A 96 7.730 9.212 -13.723 1.00 0.00 H new ATOM 0 HA SER A 96 5.150 8.786 -13.084 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.048 7.275 -14.871 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.396 6.720 -14.690 1.00 0.00 H new ATOM 0 HG SER A 96 5.636 8.198 -16.464 1.00 0.00 H new ATOM 1559 N CYS A 97 4.676 6.462 -12.081 1.00 0.00 N ATOM 1560 CA CYS A 97 4.410 5.359 -11.173 1.00 0.00 C ATOM 1561 C CYS A 97 4.355 4.067 -11.990 1.00 0.00 C ATOM 1562 O CYS A 97 3.347 3.361 -11.977 1.00 0.00 O ATOM 1563 CB CYS A 97 3.125 5.582 -10.372 1.00 0.00 C ATOM 1564 SG CYS A 97 2.965 4.544 -8.874 1.00 0.00 S ATOM 0 H CYS A 97 3.864 6.788 -12.606 1.00 0.00 H new ATOM 0 HA CYS A 97 5.211 5.289 -10.437 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.074 6.630 -10.078 1.00 0.00 H new ATOM 0 HB3 CYS A 97 2.271 5.392 -11.022 1.00 0.00 H new ATOM 1569 N ASP A 98 5.452 3.795 -12.683 1.00 0.00 N ATOM 1570 CA ASP A 98 5.541 2.600 -13.504 1.00 0.00 C ATOM 1571 C ASP A 98 6.760 2.708 -14.423 1.00 0.00 C ATOM 1572 O ASP A 98 6.617 2.825 -15.639 1.00 0.00 O ATOM 1573 CB ASP A 98 4.299 2.442 -14.384 1.00 0.00 C ATOM 1574 CG ASP A 98 3.209 1.536 -13.807 1.00 0.00 C ATOM 1575 OD1 ASP A 98 3.538 0.781 -12.867 1.00 0.00 O ATOM 1576 OD2 ASP A 98 2.072 1.620 -14.319 1.00 0.00 O ATOM 0 H ASP A 98 6.286 4.382 -12.692 1.00 0.00 H new ATOM 0 HA ASP A 98 5.624 1.740 -12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.872 3.429 -14.565 1.00 0.00 H new ATOM 0 HB3 ASP A 98 4.606 2.045 -15.352 1.00 0.00 H new ATOM 1581 N SER A 99 7.932 2.665 -13.805 1.00 0.00 N ATOM 1582 CA SER A 99 9.175 2.756 -14.552 1.00 0.00 C ATOM 1583 C SER A 99 10.336 2.239 -13.700 1.00 0.00 C ATOM 1584 O SER A 99 11.298 2.963 -13.451 1.00 0.00 O ATOM 1585 CB SER A 99 9.444 4.194 -15.000 1.00 0.00 C ATOM 1586 OG SER A 99 9.051 5.143 -14.012 1.00 0.00 O ATOM 0 H SER A 99 8.047 2.568 -12.796 1.00 0.00 H new ATOM 0 HA SER A 99 9.084 2.137 -15.445 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.506 4.314 -15.216 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.906 4.392 -15.927 1.00 0.00 H new ATOM 0 HG SER A 99 9.240 6.049 -14.335 1.00 0.00 H new ATOM 1592 N TYR A 100 10.208 0.990 -13.278 1.00 0.00 N ATOM 1593 CA TYR A 100 11.235 0.367 -12.460 1.00 0.00 C ATOM 1594 C TYR A 100 11.330 -1.133 -12.747 1.00 0.00 C ATOM 1595 O TYR A 100 12.358 -1.613 -13.223 1.00 0.00 O ATOM 1596 CB TYR A 100 10.797 0.569 -11.008 1.00 0.00 C ATOM 1597 CG TYR A 100 10.299 1.983 -10.699 1.00 0.00 C ATOM 1598 CD1 TYR A 100 11.203 3.014 -10.547 1.00 0.00 C ATOM 1599 CD2 TYR A 100 8.946 2.226 -10.572 1.00 0.00 C ATOM 1600 CE1 TYR A 100 10.734 4.345 -10.256 1.00 0.00 C ATOM 1601 CE2 TYR A 100 8.478 3.556 -10.282 1.00 0.00 C ATOM 1602 CZ TYR A 100 9.395 4.550 -10.138 1.00 0.00 C ATOM 1603 OH TYR A 100 8.953 5.806 -9.863 1.00 0.00 O ATOM 0 H TYR A 100 9.408 0.392 -13.487 1.00 0.00 H new ATOM 0 HA TYR A 100 12.210 0.807 -12.668 1.00 0.00 H new ATOM 0 HB2 TYR A 100 10.005 -0.143 -10.776 1.00 0.00 H new ATOM 0 HB3 TYR A 100 11.636 0.338 -10.351 1.00 0.00 H new ATOM 0 HD1 TYR A 100 12.261 2.824 -10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 100 8.239 1.418 -10.690 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.430 5.161 -10.134 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.422 3.760 -10.181 1.00 0.00 H new ATOM 0 HH TYR A 100 8.228 6.040 -10.479 1.00 0.00 H new ATOM 1613 N GLU A 101 10.245 -1.831 -12.446 1.00 0.00 N ATOM 1614 CA GLU A 101 10.194 -3.266 -12.666 1.00 0.00 C ATOM 1615 C GLU A 101 8.915 -3.850 -12.063 1.00 0.00 C ATOM 1616 O GLU A 101 8.066 -3.112 -11.566 1.00 0.00 O ATOM 1617 CB GLU A 101 11.435 -3.953 -12.091 1.00 0.00 C ATOM 1618 CG GLU A 101 12.095 -4.855 -13.136 1.00 0.00 C ATOM 1619 CD GLU A 101 13.557 -4.460 -13.355 1.00 0.00 C ATOM 1620 OE1 GLU A 101 14.395 -4.917 -12.548 1.00 0.00 O ATOM 1621 OE2 GLU A 101 13.804 -3.710 -14.324 1.00 0.00 O ATOM 0 H GLU A 101 9.394 -1.429 -12.052 1.00 0.00 H new ATOM 0 HA GLU A 101 10.182 -3.449 -13.740 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.148 -3.201 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.157 -4.544 -11.219 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.040 -5.894 -12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.551 -4.786 -14.078 1.00 0.00 H new ATOM 1628 N LYS A 102 8.818 -5.170 -12.126 1.00 0.00 N ATOM 1629 CA LYS A 102 7.657 -5.862 -11.593 1.00 0.00 C ATOM 1630 C LYS A 102 8.054 -6.607 -10.317 1.00 0.00 C ATOM 1631 O LYS A 102 9.072 -6.293 -9.702 1.00 0.00 O ATOM 1632 CB LYS A 102 7.031 -6.761 -12.661 1.00 0.00 C ATOM 1633 CG LYS A 102 6.734 -5.971 -13.937 1.00 0.00 C ATOM 1634 CD LYS A 102 5.633 -4.936 -13.698 1.00 0.00 C ATOM 1635 CE LYS A 102 6.183 -3.513 -13.809 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.697 -2.864 -15.047 1.00 0.00 N ATOM 0 H LYS A 102 9.525 -5.779 -12.538 1.00 0.00 H new ATOM 0 HA LYS A 102 6.881 -5.148 -11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.706 -7.586 -12.889 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.110 -7.200 -12.278 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.640 -5.471 -14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.429 -6.655 -14.730 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.832 -5.078 -14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.197 -5.085 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.876 -2.930 -12.941 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.273 -3.537 -13.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.080 -1.899 -15.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.011 -3.413 -15.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.658 -2.824 -15.033 1.00 0.00 H new ATOM 1650 N LYS A 103 7.230 -7.580 -9.957 1.00 0.00 N ATOM 1651 CA LYS A 103 7.482 -8.373 -8.766 1.00 0.00 C ATOM 1652 C LYS A 103 6.225 -9.171 -8.414 1.00 0.00 C ATOM 1653 O LYS A 103 5.141 -8.883 -8.918 1.00 0.00 O ATOM 1654 CB LYS A 103 7.985 -7.483 -7.627 1.00 0.00 C ATOM 1655 CG LYS A 103 9.469 -7.733 -7.351 1.00 0.00 C ATOM 1656 CD LYS A 103 10.173 -6.442 -6.928 1.00 0.00 C ATOM 1657 CE LYS A 103 11.689 -6.567 -7.084 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.346 -6.609 -5.758 1.00 0.00 N ATOM 0 H LYS A 103 6.387 -7.837 -10.470 1.00 0.00 H new ATOM 0 HA LYS A 103 8.277 -9.096 -8.950 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.831 -6.435 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.406 -7.679 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.576 -8.483 -6.567 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.946 -8.136 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.809 -5.611 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.928 -6.213 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.929 -7.471 -7.644 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.072 -5.724 -7.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.375 -6.694 -5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.132 -5.735 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.994 -7.427 -5.222 1.00 0.00 H new ATOM 1672 N PRO A 104 6.418 -10.184 -7.528 1.00 0.00 N ATOM 1673 CA PRO A 104 5.312 -11.026 -7.102 1.00 0.00 C ATOM 1674 C PRO A 104 4.409 -10.287 -6.113 1.00 0.00 C ATOM 1675 O PRO A 104 4.719 -9.171 -5.699 1.00 0.00 O ATOM 1676 CB PRO A 104 5.966 -12.260 -6.501 1.00 0.00 C ATOM 1677 CG PRO A 104 7.400 -11.862 -6.190 1.00 0.00 C ATOM 1678 CD PRO A 104 7.687 -10.555 -6.910 1.00 0.00 C ATOM 0 HA PRO A 104 4.652 -11.301 -7.925 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.444 -12.578 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 5.935 -13.097 -7.198 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.539 -11.744 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.091 -12.638 -6.518 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.028 -9.787 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.470 -10.679 -7.658 1.00 0.00 H new ATOM 1686 N PRO A 105 3.281 -10.956 -5.755 1.00 0.00 N ATOM 1687 CA PRO A 105 2.330 -10.374 -4.822 1.00 0.00 C ATOM 1688 C PRO A 105 2.862 -10.433 -3.389 1.00 0.00 C ATOM 1689 O PRO A 105 2.825 -9.437 -2.668 1.00 0.00 O ATOM 1690 CB PRO A 105 1.051 -11.173 -5.014 1.00 0.00 C ATOM 1691 CG PRO A 105 1.465 -12.462 -5.704 1.00 0.00 C ATOM 1692 CD PRO A 105 2.881 -12.279 -6.225 1.00 0.00 C ATOM 0 HA PRO A 105 2.154 -9.314 -5.007 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.572 -11.379 -4.057 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.332 -10.620 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.420 -13.299 -5.007 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.784 -12.692 -6.523 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.547 -13.053 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.914 -12.339 -7.313 1.00 0.00 H new ATOM 1700 N LYS A 106 3.345 -11.610 -3.019 1.00 0.00 N ATOM 1701 CA LYS A 106 3.884 -11.811 -1.684 1.00 0.00 C ATOM 1702 C LYS A 106 4.752 -10.610 -1.303 1.00 0.00 C ATOM 1703 O LYS A 106 4.501 -9.955 -0.293 1.00 0.00 O ATOM 1704 CB LYS A 106 4.617 -13.152 -1.599 1.00 0.00 C ATOM 1705 CG LYS A 106 4.906 -13.527 -0.145 1.00 0.00 C ATOM 1706 CD LYS A 106 6.412 -13.598 0.115 1.00 0.00 C ATOM 1707 CE LYS A 106 6.753 -14.754 1.056 1.00 0.00 C ATOM 1708 NZ LYS A 106 6.958 -16.003 0.289 1.00 0.00 N ATOM 0 H LYS A 106 3.374 -12.434 -3.620 1.00 0.00 H new ATOM 0 HA LYS A 106 3.078 -11.867 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.014 -13.931 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 106 5.552 -13.096 -2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 106 4.453 -12.792 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.448 -14.489 0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 106 6.942 -13.725 -0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 106 6.754 -12.658 0.549 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.653 -14.516 1.622 1.00 0.00 H new ATOM 0 HE3 LYS A 106 5.949 -14.892 1.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.189 -16.778 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.089 -16.237 -0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.741 -15.873 -0.383 1.00 0.00 H new ATOM 1722 N GLU A 107 5.755 -10.359 -2.131 1.00 0.00 N ATOM 1723 CA GLU A 107 6.662 -9.249 -1.893 1.00 0.00 C ATOM 1724 C GLU A 107 5.919 -7.918 -2.032 1.00 0.00 C ATOM 1725 O GLU A 107 5.877 -7.125 -1.093 1.00 0.00 O ATOM 1726 CB GLU A 107 7.862 -9.309 -2.839 1.00 0.00 C ATOM 1727 CG GLU A 107 9.147 -9.633 -2.075 1.00 0.00 C ATOM 1728 CD GLU A 107 10.324 -8.812 -2.607 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.262 -7.572 -2.462 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.258 -9.443 -3.146 1.00 0.00 O ATOM 0 H GLU A 107 5.960 -10.905 -2.968 1.00 0.00 H new ATOM 0 HA GLU A 107 7.041 -9.327 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.689 -10.066 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.972 -8.355 -3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.005 -9.427 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.370 -10.696 -2.166 1.00 0.00 H new ATOM 1737 N PHE A 108 5.352 -7.714 -3.213 1.00 0.00 N ATOM 1738 CA PHE A 108 4.614 -6.493 -3.487 1.00 0.00 C ATOM 1739 C PHE A 108 3.786 -6.068 -2.273 1.00 0.00 C ATOM 1740 O PHE A 108 3.584 -4.877 -2.041 1.00 0.00 O ATOM 1741 CB PHE A 108 3.670 -6.794 -4.653 1.00 0.00 C ATOM 1742 CG PHE A 108 2.542 -5.774 -4.820 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.836 -4.454 -4.965 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.247 -6.187 -4.823 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.789 -3.506 -5.120 1.00 0.00 C ATOM 1746 CE2 PHE A 108 0.200 -5.240 -4.978 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.493 -3.919 -5.123 1.00 0.00 C ATOM 0 H PHE A 108 5.389 -8.374 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 108 5.306 -5.684 -3.721 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.250 -6.834 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.234 -7.782 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.865 -4.126 -4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.014 -7.235 -4.708 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.022 -2.458 -5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.829 -5.568 -4.981 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.303 -3.199 -5.240 1.00 0.00 H new ATOM 1757 N LEU A 109 3.329 -7.066 -1.530 1.00 0.00 N ATOM 1758 CA LEU A 109 2.528 -6.810 -0.345 1.00 0.00 C ATOM 1759 C LEU A 109 3.453 -6.517 0.838 1.00 0.00 C ATOM 1760 O LEU A 109 3.229 -5.566 1.585 1.00 0.00 O ATOM 1761 CB LEU A 109 1.557 -7.966 -0.095 1.00 0.00 C ATOM 1762 CG LEU A 109 0.202 -7.869 -0.799 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.370 -6.454 -0.692 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.303 -8.338 -2.251 1.00 0.00 C ATOM 0 H LEU A 109 3.498 -8.053 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 109 1.906 -5.927 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.039 -8.893 -0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.382 -8.041 0.978 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.495 -8.538 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.333 -6.412 -1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.502 -6.193 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.317 -5.748 -1.157 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.674 -8.259 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.019 -7.714 -2.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.636 -9.376 -2.276 1.00 0.00 H new ATOM 1776 N GLU A 110 4.473 -7.352 0.971 1.00 0.00 N ATOM 1777 CA GLU A 110 5.433 -7.194 2.050 1.00 0.00 C ATOM 1778 C GLU A 110 6.087 -5.813 1.981 1.00 0.00 C ATOM 1779 O GLU A 110 6.554 -5.292 2.993 1.00 0.00 O ATOM 1780 CB GLU A 110 6.487 -8.302 2.013 1.00 0.00 C ATOM 1781 CG GLU A 110 7.378 -8.254 3.255 1.00 0.00 C ATOM 1782 CD GLU A 110 7.428 -9.617 3.948 1.00 0.00 C ATOM 1783 OE1 GLU A 110 7.461 -10.627 3.212 1.00 0.00 O ATOM 1784 OE2 GLU A 110 7.432 -9.619 5.198 1.00 0.00 O ATOM 0 H GLU A 110 4.655 -8.140 0.350 1.00 0.00 H new ATOM 0 HA GLU A 110 4.901 -7.275 2.998 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.996 -9.273 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.099 -8.196 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 110 8.385 -7.949 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.000 -7.503 3.949 1.00 0.00 H new ATOM 1791 N ARG A 111 6.100 -5.259 0.777 1.00 0.00 N ATOM 1792 CA ARG A 111 6.690 -3.948 0.563 1.00 0.00 C ATOM 1793 C ARG A 111 5.638 -2.855 0.759 1.00 0.00 C ATOM 1794 O ARG A 111 5.882 -1.870 1.453 1.00 0.00 O ATOM 1795 CB ARG A 111 7.280 -3.833 -0.844 1.00 0.00 C ATOM 1796 CG ARG A 111 8.667 -4.474 -0.911 1.00 0.00 C ATOM 1797 CD ARG A 111 9.698 -3.493 -1.472 1.00 0.00 C ATOM 1798 NE ARG A 111 10.729 -3.203 -0.450 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.600 -2.273 0.505 1.00 0.00 C ATOM 1800 NH1 ARG A 111 9.484 -1.535 0.575 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.588 -2.079 1.390 1.00 0.00 N ATOM 0 H ARG A 111 5.712 -5.694 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 111 7.491 -3.821 1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.617 -4.317 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.346 -2.783 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.971 -4.796 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.630 -5.365 -1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.165 -3.913 -2.363 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.206 -2.569 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 111 11.592 -3.746 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 111 8.733 -1.681 -0.099 1.00 0.00 H new ATOM 0 HH12 ARG A 111 9.386 -0.827 1.302 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.438 -2.640 1.336 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.489 -1.371 2.117 1.00 0.00 H new ATOM 1815 N PHE A 112 4.488 -3.065 0.133 1.00 0.00 N ATOM 1816 CA PHE A 112 3.398 -2.109 0.230 1.00 0.00 C ATOM 1817 C PHE A 112 3.134 -1.724 1.687 1.00 0.00 C ATOM 1818 O PHE A 112 3.133 -0.543 2.030 1.00 0.00 O ATOM 1819 CB PHE A 112 2.153 -2.793 -0.338 1.00 0.00 C ATOM 1820 CG PHE A 112 0.905 -1.908 -0.344 1.00 0.00 C ATOM 1821 CD1 PHE A 112 1.008 -0.589 -0.661 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.308 -2.439 -0.033 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.150 0.233 -0.666 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.466 -1.618 -0.038 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.362 -0.299 -0.355 1.00 0.00 C ATOM 0 H PHE A 112 4.288 -3.883 -0.443 1.00 0.00 H new ATOM 0 HA PHE A 112 3.649 -1.201 -0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.362 -3.116 -1.358 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.946 -3.691 0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.971 -0.167 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.390 -3.486 0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.068 1.280 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.429 -2.040 0.210 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.243 0.326 -0.360 1.00 0.00 H new ATOM 1835 N LYS A 113 2.917 -2.744 2.505 1.00 0.00 N ATOM 1836 CA LYS A 113 2.652 -2.527 3.917 1.00 0.00 C ATOM 1837 C LYS A 113 3.695 -1.562 4.485 1.00 0.00 C ATOM 1838 O LYS A 113 3.346 -0.547 5.085 1.00 0.00 O ATOM 1839 CB LYS A 113 2.580 -3.862 4.660 1.00 0.00 C ATOM 1840 CG LYS A 113 2.346 -3.645 6.157 1.00 0.00 C ATOM 1841 CD LYS A 113 2.999 -4.757 6.980 1.00 0.00 C ATOM 1842 CE LYS A 113 4.257 -4.249 7.687 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.783 -5.278 8.612 1.00 0.00 N ATOM 0 H LYS A 113 2.919 -3.722 2.217 1.00 0.00 H new ATOM 0 HA LYS A 113 1.677 -2.060 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.775 -4.469 4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.506 -4.416 4.510 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.753 -2.679 6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.276 -3.617 6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.290 -5.133 7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.256 -5.593 6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.017 -3.992 6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.028 -3.338 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.637 -4.917 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.062 -5.504 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.020 -6.137 8.077 1.00 0.00 H new ATOM 1857 N SER A 114 4.955 -1.914 4.275 1.00 0.00 N ATOM 1858 CA SER A 114 6.052 -1.092 4.759 1.00 0.00 C ATOM 1859 C SER A 114 5.860 0.356 4.305 1.00 0.00 C ATOM 1860 O SER A 114 5.735 1.258 5.133 1.00 0.00 O ATOM 1861 CB SER A 114 7.399 -1.628 4.268 1.00 0.00 C ATOM 1862 OG SER A 114 7.676 -2.928 4.782 1.00 0.00 O ATOM 0 H SER A 114 5.241 -2.757 3.777 1.00 0.00 H new ATOM 0 HA SER A 114 6.052 -1.128 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.401 -1.661 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.192 -0.943 4.567 1.00 0.00 H new ATOM 0 HG SER A 114 7.286 -3.604 4.189 1.00 0.00 H new ATOM 1868 N LEU A 115 5.842 0.535 2.993 1.00 0.00 N ATOM 1869 CA LEU A 115 5.667 1.858 2.420 1.00 0.00 C ATOM 1870 C LEU A 115 4.659 2.644 3.260 1.00 0.00 C ATOM 1871 O LEU A 115 4.924 3.779 3.654 1.00 0.00 O ATOM 1872 CB LEU A 115 5.287 1.756 0.941 1.00 0.00 C ATOM 1873 CG LEU A 115 5.409 3.046 0.127 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.170 3.925 0.302 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.697 3.795 0.476 1.00 0.00 C ATOM 0 H LEU A 115 5.946 -0.215 2.310 1.00 0.00 H new ATOM 0 HA LEU A 115 6.606 2.411 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.915 0.996 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.258 1.404 0.874 1.00 0.00 H new ATOM 0 HG LEU A 115 5.467 2.779 -0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.283 4.835 -0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.288 3.381 -0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.055 4.186 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.759 4.708 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.694 4.050 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.557 3.162 0.258 1.00 0.00 H new ATOM 1887 N LEU A 116 3.523 2.009 3.511 1.00 0.00 N ATOM 1888 CA LEU A 116 2.473 2.635 4.297 1.00 0.00 C ATOM 1889 C LEU A 116 3.053 3.099 5.635 1.00 0.00 C ATOM 1890 O LEU A 116 3.108 4.297 5.909 1.00 0.00 O ATOM 1891 CB LEU A 116 1.277 1.692 4.440 1.00 0.00 C ATOM 1892 CG LEU A 116 0.634 1.222 3.134 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.141 -0.221 3.254 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.481 2.174 2.697 1.00 0.00 C ATOM 0 H LEU A 116 3.307 1.067 3.184 1.00 0.00 H new ATOM 0 HA LEU A 116 2.092 3.521 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.597 0.814 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.515 2.192 5.038 1.00 0.00 H new ATOM 0 HG LEU A 116 1.395 1.239 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.312 -0.530 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.982 -0.875 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.599 -0.287 4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.921 1.816 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.249 2.214 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.069 3.171 2.544 1.00 0.00 H new ATOM 1906 N GLN A 117 3.472 2.127 6.432 1.00 0.00 N ATOM 1907 CA GLN A 117 4.045 2.422 7.734 1.00 0.00 C ATOM 1908 C GLN A 117 5.318 3.257 7.577 1.00 0.00 C ATOM 1909 O GLN A 117 5.886 3.720 8.565 1.00 0.00 O ATOM 1910 CB GLN A 117 4.326 1.135 8.513 1.00 0.00 C ATOM 1911 CG GLN A 117 5.182 0.171 7.689 1.00 0.00 C ATOM 1912 CD GLN A 117 5.729 -0.960 8.562 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.097 -1.415 9.501 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.936 -1.388 8.200 1.00 0.00 N ATOM 0 H GLN A 117 3.426 1.135 6.201 1.00 0.00 H new ATOM 0 HA GLN A 117 3.321 3.003 8.305 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.837 1.374 9.446 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.385 0.654 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.586 -0.247 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.009 0.714 7.231 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.410 -0.963 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.387 -2.141 8.719 1.00 0.00 H new ATOM 1923 N LYS A 118 5.728 3.423 6.328 1.00 0.00 N ATOM 1924 CA LYS A 118 6.922 4.194 6.029 1.00 0.00 C ATOM 1925 C LYS A 118 6.568 5.682 5.994 1.00 0.00 C ATOM 1926 O LYS A 118 6.988 6.445 6.863 1.00 0.00 O ATOM 1927 CB LYS A 118 7.579 3.688 4.744 1.00 0.00 C ATOM 1928 CG LYS A 118 9.105 3.700 4.866 1.00 0.00 C ATOM 1929 CD LYS A 118 9.666 2.276 4.870 1.00 0.00 C ATOM 1930 CE LYS A 118 10.228 1.912 6.246 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.406 0.448 6.362 1.00 0.00 N ATOM 0 H LYS A 118 5.254 3.037 5.512 1.00 0.00 H new ATOM 0 HA LYS A 118 7.667 4.062 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.236 2.676 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.273 4.312 3.905 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.535 4.262 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.396 4.212 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.881 1.571 4.596 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.450 2.188 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.183 2.414 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.553 2.265 7.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.788 0.218 7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.488 -0.024 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.067 0.120 5.630 1.00 0.00 H new ATOM 1945 N MET A 119 5.799 6.050 4.979 1.00 0.00 N ATOM 1946 CA MET A 119 5.384 7.434 4.819 1.00 0.00 C ATOM 1947 C MET A 119 4.002 7.666 5.433 1.00 0.00 C ATOM 1948 O MET A 119 3.858 8.452 6.368 1.00 0.00 O ATOM 1949 CB MET A 119 5.347 7.786 3.331 1.00 0.00 C ATOM 1950 CG MET A 119 6.153 9.056 3.048 1.00 0.00 C ATOM 1951 SD MET A 119 5.379 10.458 3.836 1.00 0.00 S ATOM 1952 CE MET A 119 5.993 11.774 2.798 1.00 0.00 C ATOM 0 H MET A 119 5.453 5.415 4.260 1.00 0.00 H new ATOM 0 HA MET A 119 6.102 8.072 5.335 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.749 6.958 2.748 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.314 7.928 3.013 1.00 0.00 H new ATOM 0 HG2 MET A 119 7.173 8.939 3.415 1.00 0.00 H new ATOM 0 HG3 MET A 119 6.219 9.223 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 119 5.534 12.717 3.096 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.075 11.847 2.905 1.00 0.00 H new ATOM 0 HE3 MET A 119 5.745 11.563 1.758 1.00 0.00 H new ATOM 1962 N ILE A 120 3.020 6.967 4.883 1.00 0.00 N ATOM 1963 CA ILE A 120 1.654 7.087 5.365 1.00 0.00 C ATOM 1964 C ILE A 120 1.668 7.264 6.884 1.00 0.00 C ATOM 1965 O ILE A 120 1.251 8.301 7.397 1.00 0.00 O ATOM 1966 CB ILE A 120 0.813 5.901 4.891 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.329 6.111 3.454 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.347 5.633 5.852 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.485 6.527 2.542 1.00 0.00 C ATOM 0 H ILE A 120 3.143 6.315 4.108 1.00 0.00 H new ATOM 0 HA ILE A 120 1.178 7.973 4.945 1.00 0.00 H new ATOM 0 HB ILE A 120 1.445 5.013 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.121 5.192 3.080 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.447 6.876 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.929 4.785 5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.046 5.408 6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.986 6.515 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.114 6.670 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.917 7.459 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.248 5.749 2.544 1.00 0.00 H new ATOM 1981 N HIS A 121 2.153 6.234 7.563 1.00 0.00 N ATOM 1982 CA HIS A 121 2.227 6.262 9.014 1.00 0.00 C ATOM 1983 C HIS A 121 2.600 7.670 9.482 1.00 0.00 C ATOM 1984 O HIS A 121 1.888 8.270 10.285 1.00 0.00 O ATOM 1985 CB HIS A 121 3.189 5.190 9.530 1.00 0.00 C ATOM 1986 CG HIS A 121 2.506 4.022 10.200 1.00 0.00 C ATOM 1987 ND1 HIS A 121 2.853 3.576 11.464 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.494 3.216 9.771 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.079 2.546 11.770 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.237 2.324 10.720 1.00 0.00 N ATOM 0 H HIS A 121 2.498 5.375 7.135 1.00 0.00 H new ATOM 0 HA HIS A 121 1.251 6.024 9.436 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.785 4.819 8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.881 5.647 10.237 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.581 3.973 12.058 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.987 3.290 8.820 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.109 1.981 12.690 1.00 0.00 H new ATOM 1998 N GLN A 122 3.717 8.155 8.959 1.00 0.00 N ATOM 1999 CA GLN A 122 4.194 9.481 9.314 1.00 0.00 C ATOM 2000 C GLN A 122 3.016 10.443 9.476 1.00 0.00 C ATOM 2001 O GLN A 122 2.968 11.216 10.431 1.00 0.00 O ATOM 2002 CB GLN A 122 5.189 10.002 8.274 1.00 0.00 C ATOM 2003 CG GLN A 122 6.221 8.930 7.917 1.00 0.00 C ATOM 2004 CD GLN A 122 6.716 8.207 9.171 1.00 0.00 C ATOM 2005 OE1 GLN A 122 5.992 7.469 9.820 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.986 8.458 9.475 1.00 0.00 N ATOM 0 H GLN A 122 4.305 7.654 8.293 1.00 0.00 H new ATOM 0 HA GLN A 122 4.717 9.415 10.268 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.654 10.310 7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.696 10.886 8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.779 8.210 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.064 9.389 7.401 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.536 9.086 8.889 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.410 8.023 10.294 1.00 0.00 H new ATOM 2015 N HIS A 123 2.094 10.365 8.528 1.00 0.00 N ATOM 2016 CA HIS A 123 0.919 11.219 8.553 1.00 0.00 C ATOM 2017 C HIS A 123 0.435 11.382 9.995 1.00 0.00 C ATOM 2018 O HIS A 123 0.526 12.468 10.566 1.00 0.00 O ATOM 2019 CB HIS A 123 -0.166 10.678 7.621 1.00 0.00 C ATOM 2020 CG HIS A 123 -1.116 11.734 7.107 1.00 0.00 C ATOM 2021 ND1 HIS A 123 -0.694 12.986 6.696 1.00 0.00 N ATOM 2022 CD2 HIS A 123 -2.470 11.710 6.941 1.00 0.00 C ATOM 2023 CE1 HIS A 123 -1.754 13.677 6.303 1.00 0.00 C ATOM 2024 NE2 HIS A 123 -2.854 12.884 6.456 1.00 0.00 N ATOM 0 H HIS A 123 2.137 9.723 7.737 1.00 0.00 H new ATOM 0 HA HIS A 123 1.177 12.210 8.178 1.00 0.00 H new ATOM 0 HB2 HIS A 123 0.310 10.188 6.772 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -0.738 9.916 8.150 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -3.119 10.877 7.166 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -1.748 14.690 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -3.813 13.150 6.234 1.00 0.00 H new ATOM 2032 N LEU A 124 -0.071 10.287 10.543 1.00 0.00 N ATOM 2033 CA LEU A 124 -0.570 10.294 11.908 1.00 0.00 C ATOM 2034 C LEU A 124 0.486 10.909 12.829 1.00 0.00 C ATOM 2035 O LEU A 124 0.215 11.886 13.525 1.00 0.00 O ATOM 2036 CB LEU A 124 -1.008 8.889 12.326 1.00 0.00 C ATOM 2037 CG LEU A 124 -1.822 8.797 13.619 1.00 0.00 C ATOM 2038 CD1 LEU A 124 -1.055 9.407 14.794 1.00 0.00 C ATOM 2039 CD2 LEU A 124 -3.202 9.433 13.444 1.00 0.00 C ATOM 0 H LEU A 124 -0.146 9.388 10.066 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.462 10.916 11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.598 8.458 11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.118 8.270 12.436 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.980 7.743 13.849 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.655 9.329 15.700 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.116 8.871 14.933 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.846 10.457 14.587 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.760 9.354 14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.087 10.484 13.177 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.744 8.915 12.653 1.00 0.00 H new ATOM 2051 N SER A 125 1.668 10.310 12.804 1.00 0.00 N ATOM 2052 CA SER A 125 2.766 10.786 13.628 1.00 0.00 C ATOM 2053 C SER A 125 2.762 12.316 13.672 1.00 0.00 C ATOM 2054 O SER A 125 2.668 12.909 14.746 1.00 0.00 O ATOM 2055 CB SER A 125 4.109 10.274 13.105 1.00 0.00 C ATOM 2056 OG SER A 125 4.493 9.051 13.727 1.00 0.00 O ATOM 0 H SER A 125 1.889 9.499 12.226 1.00 0.00 H new ATOM 0 HA SER A 125 2.629 10.399 14.638 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.046 10.128 12.027 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.877 11.027 13.281 1.00 0.00 H new ATOM 0 HG SER A 125 5.355 8.756 13.365 1.00 0.00 H new ATOM 2062 N SER A 126 2.865 12.910 12.493 1.00 0.00 N ATOM 2063 CA SER A 126 2.874 14.359 12.384 1.00 0.00 C ATOM 2064 C SER A 126 4.212 14.913 12.879 1.00 0.00 C ATOM 2065 O SER A 126 4.952 15.532 12.117 1.00 0.00 O ATOM 2066 CB SER A 126 1.719 14.979 13.173 1.00 0.00 C ATOM 2067 OG SER A 126 1.056 16.001 12.434 1.00 0.00 O ATOM 0 H SER A 126 2.943 12.415 11.605 1.00 0.00 H new ATOM 0 HA SER A 126 2.744 14.623 11.334 1.00 0.00 H new ATOM 0 HB2 SER A 126 1.003 14.201 13.439 1.00 0.00 H new ATOM 0 HB3 SER A 126 2.099 15.395 14.106 1.00 0.00 H new ATOM 0 HG SER A 126 0.324 16.371 12.971 1.00 0.00 H new ATOM 2073 N ARG A 127 4.481 14.669 14.154 1.00 0.00 N ATOM 2074 CA ARG A 127 5.717 15.136 14.760 1.00 0.00 C ATOM 2075 C ARG A 127 6.064 14.282 15.980 1.00 0.00 C ATOM 2076 O ARG A 127 7.144 13.695 16.045 1.00 0.00 O ATOM 2077 CB ARG A 127 5.602 16.601 15.186 1.00 0.00 C ATOM 2078 CG ARG A 127 6.933 17.332 14.999 1.00 0.00 C ATOM 2079 CD ARG A 127 7.060 17.884 13.577 1.00 0.00 C ATOM 2080 NE ARG A 127 8.479 18.164 13.268 1.00 0.00 N ATOM 2081 CZ ARG A 127 8.904 18.716 12.123 1.00 0.00 C ATOM 2082 NH1 ARG A 127 8.021 19.049 11.172 1.00 0.00 N ATOM 2083 NH2 ARG A 127 10.212 18.933 11.929 1.00 0.00 N ATOM 0 H ARG A 127 3.865 14.155 14.783 1.00 0.00 H new ATOM 0 HA ARG A 127 6.507 15.048 14.014 1.00 0.00 H new ATOM 0 HB2 ARG A 127 4.827 17.094 14.600 1.00 0.00 H new ATOM 0 HB3 ARG A 127 5.296 16.657 16.231 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.008 18.148 15.718 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.758 16.650 15.203 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.658 17.166 12.862 1.00 0.00 H new ATOM 0 HD3 ARG A 127 6.471 18.796 13.478 1.00 0.00 H new ATOM 0 HE ARG A 127 9.178 17.922 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.026 18.882 11.319 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.344 19.469 10.301 1.00 0.00 H new ATOM 0 HH21 ARG A 127 10.884 18.678 12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.536 19.353 11.058 1.00 0.00 H new ATOM 2097 N THR A 128 5.129 14.238 16.918 1.00 0.00 N ATOM 2098 CA THR A 128 5.324 13.466 18.133 1.00 0.00 C ATOM 2099 C THR A 128 4.153 12.504 18.346 1.00 0.00 C ATOM 2100 O THR A 128 3.030 12.786 17.933 1.00 0.00 O ATOM 2101 CB THR A 128 5.522 14.447 19.291 1.00 0.00 C ATOM 2102 OG1 THR A 128 5.967 13.627 20.368 1.00 0.00 O ATOM 2103 CG2 THR A 128 4.202 15.036 19.792 1.00 0.00 C ATOM 0 H THR A 128 4.234 14.725 16.861 1.00 0.00 H new ATOM 0 HA THR A 128 6.213 12.838 18.064 1.00 0.00 H new ATOM 0 HB THR A 128 6.182 15.254 18.974 1.00 0.00 H new ATOM 0 HG1 THR A 128 6.122 14.183 21.160 1.00 0.00 H new ATOM 0 HG21 THR A 128 4.399 15.725 20.613 1.00 0.00 H new ATOM 0 HG22 THR A 128 3.711 15.571 18.979 1.00 0.00 H new ATOM 0 HG23 THR A 128 3.554 14.232 20.141 1.00 0.00 H new ATOM 2111 N HIS A 129 4.457 11.387 18.991 1.00 0.00 N ATOM 2112 CA HIS A 129 3.444 10.381 19.264 1.00 0.00 C ATOM 2113 C HIS A 129 3.064 10.425 20.746 1.00 0.00 C ATOM 2114 O HIS A 129 3.246 9.444 21.466 1.00 0.00 O ATOM 2115 CB HIS A 129 3.916 8.998 18.814 1.00 0.00 C ATOM 2116 CG HIS A 129 2.833 7.946 18.821 1.00 0.00 C ATOM 2117 ND1 HIS A 129 2.014 7.705 17.732 1.00 0.00 N ATOM 2118 CD2 HIS A 129 2.444 7.075 19.796 1.00 0.00 C ATOM 2119 CE1 HIS A 129 1.173 6.732 18.048 1.00 0.00 C ATOM 2120 NE2 HIS A 129 1.440 6.343 19.328 1.00 0.00 N ATOM 0 H HIS A 129 5.390 11.156 19.332 1.00 0.00 H new ATOM 0 HA HIS A 129 2.545 10.599 18.687 1.00 0.00 H new ATOM 0 HB2 HIS A 129 4.326 9.075 17.807 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.728 8.673 19.465 1.00 0.00 H new ATOM 0 HD2 HIS A 129 2.879 6.994 20.781 1.00 0.00 H new ATOM 0 HE1 HIS A 129 0.410 6.319 17.405 1.00 0.00 H new ATOM 0 HE2 HIS A 129 0.949 5.611 19.841 1.00 0.00 H new ATOM 2128 N GLY A 130 2.543 11.571 21.157 1.00 0.00 N ATOM 2129 CA GLY A 130 2.136 11.755 22.539 1.00 0.00 C ATOM 2130 C GLY A 130 0.623 11.588 22.692 1.00 0.00 C ATOM 2131 O GLY A 130 -0.048 11.114 21.777 1.00 0.00 O ATOM 0 H GLY A 130 2.393 12.382 20.557 1.00 0.00 H new ATOM 0 HA2 GLY A 130 2.651 11.033 23.173 1.00 0.00 H new ATOM 0 HA3 GLY A 130 2.432 12.747 22.880 1.00 0.00 H new ATOM 2135 N SER A 131 0.130 11.985 23.857 1.00 0.00 N ATOM 2136 CA SER A 131 -1.291 11.884 24.141 1.00 0.00 C ATOM 2137 C SER A 131 -1.662 12.824 25.290 1.00 0.00 C ATOM 2138 O SER A 131 -1.359 12.544 26.449 1.00 0.00 O ATOM 2139 CB SER A 131 -1.683 10.446 24.484 1.00 0.00 C ATOM 2140 OG SER A 131 -3.082 10.317 24.725 1.00 0.00 O ATOM 0 H SER A 131 0.690 12.377 24.614 1.00 0.00 H new ATOM 0 HA SER A 131 -1.841 12.178 23.247 1.00 0.00 H new ATOM 0 HB2 SER A 131 -1.394 9.786 23.666 1.00 0.00 H new ATOM 0 HB3 SER A 131 -1.132 10.120 25.366 1.00 0.00 H new ATOM 0 HG SER A 131 -3.292 9.384 24.939 1.00 0.00 H new ATOM 2146 N GLU A 132 -2.313 13.920 24.928 1.00 0.00 N ATOM 2147 CA GLU A 132 -2.729 14.903 25.914 1.00 0.00 C ATOM 2148 C GLU A 132 -3.994 14.430 26.634 1.00 0.00 C ATOM 2149 O GLU A 132 -4.103 14.556 27.853 1.00 0.00 O ATOM 2150 CB GLU A 132 -2.946 16.272 25.266 1.00 0.00 C ATOM 2151 CG GLU A 132 -1.631 17.046 25.167 1.00 0.00 C ATOM 2152 CD GLU A 132 -1.760 18.431 25.806 1.00 0.00 C ATOM 2153 OE1 GLU A 132 -1.589 18.504 27.042 1.00 0.00 O ATOM 2154 OE2 GLU A 132 -2.027 19.385 25.043 1.00 0.00 O ATOM 0 H GLU A 132 -2.562 14.149 23.966 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.933 15.009 26.651 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -3.372 16.144 24.271 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -3.666 16.845 25.850 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -0.837 16.486 25.661 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -1.344 17.150 24.121 1.00 0.00 H new ATOM 2161 N ASP A 133 -4.918 13.896 25.849 1.00 0.00 N ATOM 2162 CA ASP A 133 -6.171 13.404 26.397 1.00 0.00 C ATOM 2163 C ASP A 133 -6.908 14.554 27.087 1.00 0.00 C ATOM 2164 O ASP A 133 -7.752 15.210 26.477 1.00 0.00 O ATOM 2165 CB ASP A 133 -5.926 12.309 27.436 1.00 0.00 C ATOM 2166 CG ASP A 133 -7.098 12.042 28.383 1.00 0.00 C ATOM 2167 OD1 ASP A 133 -8.175 11.678 27.864 1.00 0.00 O ATOM 2168 OD2 ASP A 133 -6.890 12.207 29.604 1.00 0.00 O ATOM 0 H ASP A 133 -4.824 13.793 24.839 1.00 0.00 H new ATOM 0 HA ASP A 133 -6.760 12.996 25.576 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -5.681 11.383 26.915 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -5.053 12.581 28.030 1.00 0.00 H new ATOM 2173 N SER A 134 -6.562 14.764 28.348 1.00 0.00 N ATOM 2174 CA SER A 134 -7.180 15.823 29.128 1.00 0.00 C ATOM 2175 C SER A 134 -8.681 15.560 29.271 1.00 0.00 C ATOM 2176 O SER A 134 -9.090 14.451 29.612 1.00 0.00 O ATOM 2177 CB SER A 134 -6.941 17.191 28.485 1.00 0.00 C ATOM 2178 OG SER A 134 -8.053 17.615 27.701 1.00 0.00 O ATOM 0 H SER A 134 -5.861 14.219 28.850 1.00 0.00 H new ATOM 0 HA SER A 134 -6.723 15.831 30.117 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.745 17.928 29.264 1.00 0.00 H new ATOM 0 HB3 SER A 134 -6.051 17.146 27.857 1.00 0.00 H new ATOM 0 HG SER A 134 -8.268 16.925 27.039 1.00 0.00 H new TER 2184 SER A 134