USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1017 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 MET CE :methyl -168:sc= -5.78! (180deg=-6.22!) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 90 THR OG1 : rot -82:sc= 0.956 USER MOD Set 2.2: A 93 ASN : amide:sc= -3.45 K(o=-2.5,f=-6.4!) USER MOD Set 3.1: A 43 TYR OH : rot 165:sc= -0.282 USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.421 X(o=-0.7,f=-0.7) USER MOD Single : A 14 GLN :FLIP amide:sc= -4.15! C(o=-5.1!,f=-4.2!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -156:sc= -2.47 (180deg=-2.69!) USER MOD Single : A 39 LYS NZ :NH3+ -179:sc= 0.938 (180deg=0.904) USER MOD Single : A 48 GLN : amide:sc=-0.00886 X(o=-0.0089,f=0.46) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -157:sc= -8.45! (180deg=-9.61!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 72 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.022) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot -16:sc= -0.559 USER MOD Single : A 98 CYS SG : rot 180:sc= -0.95 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.347 F(o=-0.85,f=-0.35) USER MOD Single : A 103 ASN : amide:sc= -2.23 X(o=-2.2,f=-2.1) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0971 F(o=-0.63,f=-0.097) USER MOD Single : A 106 TYR OH : rot -91:sc= 0.0673 USER MOD Single : A 108 SER OG : rot 170:sc= -0.362 USER MOD Single : A 109 TYR OH : rot 138:sc= -0.119 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN :FLIP amide:sc= -3.82! C(o=-4.6!,f=-3.8!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= -0.0117 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 ASN : amide:sc= -1.6! C(o=-1.6!,f=-3.8!) USER MOD Single : A 133 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 THR OG1 : rot 170:sc= 0 USER MOD Single : A 137 GLN : amide:sc= -1.57 K(o=-1.6,f=-11!) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 GLN : amide:sc= -3! C(o=-3!,f=-3!) USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN :FLIP amide:sc= -0.235 F(o=-0.9,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 10 -10.233 -2.955 -18.417 1.00 0.00 N ATOM 23 CA ILE A 10 -9.057 -2.435 -17.735 1.00 0.00 C ATOM 24 C ILE A 10 -9.427 -1.867 -16.366 1.00 0.00 C ATOM 25 O ILE A 10 -8.837 -2.240 -15.352 1.00 0.00 O ATOM 26 CB ILE A 10 -8.357 -1.353 -18.582 1.00 0.00 C ATOM 27 CG1 ILE A 10 -7.606 -2.014 -19.737 1.00 0.00 C ATOM 28 CG2 ILE A 10 -7.407 -0.519 -17.733 1.00 0.00 C ATOM 29 CD1 ILE A 10 -8.294 -1.857 -21.070 1.00 0.00 C ATOM 0 HA ILE A 10 -8.365 -3.266 -17.594 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.115 -0.681 -18.984 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.605 -1.587 -19.801 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.486 -3.076 -19.522 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.928 0.235 -18.357 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.966 -0.029 -16.936 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.646 -1.166 -17.297 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.705 -2.350 -21.844 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -9.285 -2.310 -21.024 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.390 -0.797 -21.307 1.00 0.00 H new ATOM 41 N ARG A 11 -10.410 -0.968 -16.340 1.00 0.00 N ATOM 42 CA ARG A 11 -10.856 -0.360 -15.088 1.00 0.00 C ATOM 43 C ARG A 11 -11.093 -1.435 -14.034 1.00 0.00 C ATOM 44 O ARG A 11 -10.779 -1.254 -12.855 1.00 0.00 O ATOM 45 CB ARG A 11 -12.135 0.449 -15.311 1.00 0.00 C ATOM 46 CG ARG A 11 -12.639 1.149 -14.059 1.00 0.00 C ATOM 47 CD ARG A 11 -11.733 2.305 -13.661 1.00 0.00 C ATOM 48 NE ARG A 11 -12.333 3.601 -13.967 1.00 0.00 N ATOM 49 CZ ARG A 11 -13.406 4.086 -13.347 1.00 0.00 C ATOM 50 NH1 ARG A 11 -14.002 3.385 -12.390 1.00 0.00 N ATOM 51 NH2 ARG A 11 -13.886 5.276 -13.684 1.00 0.00 N ATOM 0 H ARG A 11 -10.911 -0.646 -17.168 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.075 0.314 -14.735 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.953 1.194 -16.085 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -12.914 -0.215 -15.684 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.649 1.520 -14.231 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.697 0.433 -13.239 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.519 2.247 -12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.780 2.215 -14.182 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.904 4.168 -14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.638 2.469 -12.126 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.824 3.762 -11.918 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.433 5.819 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.708 5.647 -13.209 1.00 0.00 H new ATOM 65 N GLU A 12 -11.635 -2.564 -14.474 1.00 0.00 N ATOM 66 CA GLU A 12 -11.898 -3.679 -13.580 1.00 0.00 C ATOM 67 C GLU A 12 -10.593 -4.187 -12.986 1.00 0.00 C ATOM 68 O GLU A 12 -10.489 -4.400 -11.779 1.00 0.00 O ATOM 69 CB GLU A 12 -12.613 -4.806 -14.327 1.00 0.00 C ATOM 70 CG GLU A 12 -14.124 -4.652 -14.359 1.00 0.00 C ATOM 71 CD GLU A 12 -14.846 -5.985 -14.379 1.00 0.00 C ATOM 72 OE1 GLU A 12 -14.241 -6.994 -13.959 1.00 0.00 O ATOM 73 OE2 GLU A 12 -16.015 -6.020 -14.816 1.00 0.00 O ATOM 0 H GLU A 12 -11.900 -2.729 -15.445 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.545 -3.335 -12.773 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.239 -4.847 -15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -12.363 -5.757 -13.858 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.446 -4.082 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.408 -4.076 -15.240 1.00 0.00 H new ATOM 80 N ARG A 13 -9.590 -4.364 -13.846 1.00 0.00 N ATOM 81 CA ARG A 13 -8.278 -4.833 -13.414 1.00 0.00 C ATOM 82 C ARG A 13 -7.746 -3.962 -12.281 1.00 0.00 C ATOM 83 O ARG A 13 -7.122 -4.456 -11.339 1.00 0.00 O ATOM 84 CB ARG A 13 -7.293 -4.820 -14.585 1.00 0.00 C ATOM 85 CG ARG A 13 -7.732 -5.680 -15.758 1.00 0.00 C ATOM 86 CD ARG A 13 -6.543 -6.137 -16.588 1.00 0.00 C ATOM 87 NE ARG A 13 -6.870 -6.235 -18.009 1.00 0.00 N ATOM 88 CZ ARG A 13 -7.709 -7.134 -18.516 1.00 0.00 C ATOM 89 NH1 ARG A 13 -8.308 -8.016 -17.725 1.00 0.00 N ATOM 90 NH2 ARG A 13 -7.950 -7.153 -19.820 1.00 0.00 N ATOM 0 H ARG A 13 -9.664 -4.188 -14.848 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.384 -5.856 -13.053 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.161 -3.793 -14.927 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.321 -5.166 -14.235 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.276 -6.550 -15.390 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.421 -5.116 -16.387 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.718 -5.438 -16.454 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.201 -7.107 -16.227 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.429 -5.575 -18.650 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.126 -8.007 -16.721 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.950 -8.702 -18.121 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.492 -6.479 -20.433 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.593 -7.842 -20.210 1.00 0.00 H new ATOM 104 N GLN A 14 -8.008 -2.661 -12.376 1.00 0.00 N ATOM 105 CA GLN A 14 -7.569 -1.718 -11.356 1.00 0.00 C ATOM 106 C GLN A 14 -8.063 -2.155 -9.984 1.00 0.00 C ATOM 107 O GLN A 14 -7.286 -2.271 -9.036 1.00 0.00 O ATOM 108 CB GLN A 14 -8.095 -0.316 -11.664 1.00 0.00 C ATOM 109 CG GLN A 14 -7.646 0.226 -13.009 1.00 0.00 C ATOM 110 CD GLN A 14 -7.492 1.733 -12.996 1.00 0.00 C ATOM 111 OE1 GLN A 14 -6.498 2.214 -12.259 1.00 0.00 O flip ATOM 112 NE2 GLN A 14 -8.255 2.454 -13.639 1.00 0.00 N flip ATOM 0 H GLN A 14 -8.522 -2.238 -13.149 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.479 -1.699 -11.356 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.184 -0.333 -11.635 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -7.766 0.366 -10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.696 -0.232 -13.285 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.370 -0.057 -13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.005 2.038 -14.191 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.137 3.467 -13.619 1.00 0.00 H new ATOM 121 N THR A 15 -9.367 -2.391 -9.889 1.00 0.00 N ATOM 122 CA THR A 15 -9.977 -2.811 -8.636 1.00 0.00 C ATOM 123 C THR A 15 -9.467 -4.181 -8.194 1.00 0.00 C ATOM 124 O THR A 15 -9.540 -4.522 -7.015 1.00 0.00 O ATOM 125 CB THR A 15 -11.501 -2.837 -8.768 1.00 0.00 C ATOM 126 OG1 THR A 15 -11.904 -2.391 -10.053 1.00 0.00 O ATOM 127 CG2 THR A 15 -12.193 -1.970 -7.744 1.00 0.00 C ATOM 0 H THR A 15 -10.021 -2.298 -10.666 1.00 0.00 H new ATOM 0 HA THR A 15 -9.695 -2.085 -7.873 1.00 0.00 H new ATOM 0 HB THR A 15 -11.792 -3.875 -8.606 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.882 -2.417 -10.117 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.272 -2.029 -7.887 1.00 0.00 H new ATOM 0 HG22 THR A 15 -11.940 -2.318 -6.742 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.867 -0.937 -7.862 1.00 0.00 H new ATOM 135 N VAL A 16 -8.951 -4.966 -9.136 1.00 0.00 N ATOM 136 CA VAL A 16 -8.436 -6.289 -8.807 1.00 0.00 C ATOM 137 C VAL A 16 -7.298 -6.188 -7.799 1.00 0.00 C ATOM 138 O VAL A 16 -7.388 -6.725 -6.696 1.00 0.00 O ATOM 139 CB VAL A 16 -7.941 -7.048 -10.055 1.00 0.00 C ATOM 140 CG1 VAL A 16 -7.435 -8.431 -9.675 1.00 0.00 C ATOM 141 CG2 VAL A 16 -9.048 -7.153 -11.091 1.00 0.00 C ATOM 0 H VAL A 16 -8.879 -4.712 -10.121 1.00 0.00 H new ATOM 0 HA VAL A 16 -9.265 -6.848 -8.374 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.114 -6.487 -10.490 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.090 -8.951 -10.569 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.609 -8.335 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.242 -9.000 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.679 -7.692 -11.964 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.896 -7.690 -10.665 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.364 -6.153 -11.388 1.00 0.00 H new ATOM 151 N ALA A 17 -6.231 -5.490 -8.176 1.00 0.00 N ATOM 152 CA ALA A 17 -5.088 -5.320 -7.290 1.00 0.00 C ATOM 153 C ALA A 17 -5.491 -4.560 -6.030 1.00 0.00 C ATOM 154 O ALA A 17 -4.901 -4.741 -4.964 1.00 0.00 O ATOM 155 CB ALA A 17 -3.959 -4.595 -8.008 1.00 0.00 C ATOM 0 H ALA A 17 -6.135 -5.036 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.734 -6.308 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.113 -4.477 -7.330 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.649 -5.175 -8.877 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.305 -3.613 -8.331 1.00 0.00 H new ATOM 161 N LEU A 18 -6.504 -3.709 -6.164 1.00 0.00 N ATOM 162 CA LEU A 18 -6.996 -2.917 -5.043 1.00 0.00 C ATOM 163 C LEU A 18 -7.789 -3.784 -4.071 1.00 0.00 C ATOM 164 O LEU A 18 -7.383 -3.985 -2.928 1.00 0.00 O ATOM 165 CB LEU A 18 -7.876 -1.779 -5.553 1.00 0.00 C ATOM 166 CG LEU A 18 -7.128 -0.644 -6.255 1.00 0.00 C ATOM 167 CD1 LEU A 18 -8.100 0.241 -7.019 1.00 0.00 C ATOM 168 CD2 LEU A 18 -6.337 0.173 -5.246 1.00 0.00 C ATOM 0 H LEU A 18 -7.001 -3.550 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.137 -2.503 -4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.611 -2.191 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.429 -1.363 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.428 -1.079 -6.969 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.551 1.043 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.623 -0.354 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.824 0.670 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.810 0.976 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.018 0.599 -4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.615 -0.470 -4.743 1.00 0.00 H new ATOM 180 N LYS A 19 -8.925 -4.293 -4.535 1.00 0.00 N ATOM 181 CA LYS A 19 -9.779 -5.140 -3.709 1.00 0.00 C ATOM 182 C LYS A 19 -8.972 -6.254 -3.054 1.00 0.00 C ATOM 183 O LYS A 19 -9.252 -6.659 -1.928 1.00 0.00 O ATOM 184 CB LYS A 19 -10.907 -5.740 -4.551 1.00 0.00 C ATOM 185 CG LYS A 19 -12.049 -4.773 -4.818 1.00 0.00 C ATOM 186 CD LYS A 19 -13.199 -5.457 -5.538 1.00 0.00 C ATOM 187 CE LYS A 19 -13.099 -5.281 -7.044 1.00 0.00 C ATOM 188 NZ LYS A 19 -14.160 -6.037 -7.765 1.00 0.00 N ATOM 0 H LYS A 19 -9.276 -4.134 -5.479 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.211 -4.519 -2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.498 -6.077 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.299 -6.621 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.404 -4.358 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.688 -3.938 -5.418 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.201 -6.519 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.145 -5.047 -5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.176 -4.222 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.119 -5.617 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.056 -5.890 -8.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -14.071 -7.051 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.095 -5.699 -7.460 1.00 0.00 H new ATOM 202 N ARG A 20 -7.963 -6.743 -3.767 1.00 0.00 N ATOM 203 CA ARG A 20 -7.111 -7.808 -3.254 1.00 0.00 C ATOM 204 C ARG A 20 -6.439 -7.381 -1.954 1.00 0.00 C ATOM 205 O ARG A 20 -6.511 -8.084 -0.947 1.00 0.00 O ATOM 206 CB ARG A 20 -6.050 -8.183 -4.288 1.00 0.00 C ATOM 207 CG ARG A 20 -5.542 -9.609 -4.155 1.00 0.00 C ATOM 208 CD ARG A 20 -5.333 -10.252 -5.516 1.00 0.00 C ATOM 209 NE ARG A 20 -6.584 -10.748 -6.084 1.00 0.00 N ATOM 210 CZ ARG A 20 -7.281 -11.761 -5.573 1.00 0.00 C ATOM 211 NH1 ARG A 20 -6.851 -12.391 -4.487 1.00 0.00 N ATOM 212 NH2 ARG A 20 -8.411 -12.146 -6.150 1.00 0.00 N ATOM 0 H ARG A 20 -7.716 -6.418 -4.702 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.736 -8.678 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.465 -8.047 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.208 -7.497 -4.196 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.603 -9.612 -3.601 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.254 -10.198 -3.578 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.889 -9.525 -6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.625 -11.076 -5.423 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.945 -10.291 -6.922 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.982 -12.100 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.389 -13.166 -4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.746 -11.666 -6.985 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.945 -12.922 -5.759 1.00 0.00 H new ATOM 226 N MET A 21 -5.786 -6.227 -1.985 1.00 0.00 N ATOM 227 CA MET A 21 -5.100 -5.711 -0.807 1.00 0.00 C ATOM 228 C MET A 21 -6.054 -4.935 0.098 1.00 0.00 C ATOM 229 O MET A 21 -5.730 -4.645 1.249 1.00 0.00 O ATOM 230 CB MET A 21 -3.929 -4.823 -1.227 1.00 0.00 C ATOM 231 CG MET A 21 -4.353 -3.524 -1.891 1.00 0.00 C ATOM 232 SD MET A 21 -4.580 -2.185 -0.709 1.00 0.00 S ATOM 233 CE MET A 21 -4.176 -0.773 -1.731 1.00 0.00 C ATOM 0 H MET A 21 -5.717 -5.632 -2.810 1.00 0.00 H new ATOM 0 HA MET A 21 -4.719 -6.561 -0.240 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.327 -4.592 -0.348 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.291 -5.380 -1.913 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.601 -3.233 -2.624 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.284 -3.685 -2.435 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.853 0.054 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.373 -1.039 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.056 -0.472 -2.300 1.00 0.00 H new ATOM 487 N TRP A 38 -7.277 -5.349 11.283 1.00 0.00 N ATOM 488 CA TRP A 38 -7.188 -3.983 10.783 1.00 0.00 C ATOM 489 C TRP A 38 -5.886 -3.780 10.018 1.00 0.00 C ATOM 490 O TRP A 38 -4.801 -3.920 10.581 1.00 0.00 O ATOM 491 CB TRP A 38 -7.247 -2.989 11.942 1.00 0.00 C ATOM 492 CG TRP A 38 -8.635 -2.676 12.414 1.00 0.00 C ATOM 493 CD1 TRP A 38 -9.176 -3.011 13.619 1.00 0.00 C ATOM 494 CD2 TRP A 38 -9.653 -1.959 11.704 1.00 0.00 C ATOM 495 NE1 TRP A 38 -10.469 -2.558 13.703 1.00 0.00 N ATOM 496 CE2 TRP A 38 -10.786 -1.907 12.541 1.00 0.00 C ATOM 497 CE3 TRP A 38 -9.721 -1.358 10.445 1.00 0.00 C ATOM 498 CZ2 TRP A 38 -11.967 -1.279 12.159 1.00 0.00 C ATOM 499 CZ3 TRP A 38 -10.897 -0.733 10.068 1.00 0.00 C ATOM 500 CH2 TRP A 38 -12.004 -0.698 10.922 1.00 0.00 C ATOM 0 HA TRP A 38 -8.031 -3.812 10.114 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.673 -3.388 12.778 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.762 -2.062 11.636 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -8.661 -3.555 14.397 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.092 -2.686 14.501 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.872 -1.381 9.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -12.824 -1.251 12.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.961 -0.264 9.097 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.907 -0.202 10.598 1.00 0.00 H new ATOM 511 N LYS A 39 -5.991 -3.437 8.739 1.00 0.00 N ATOM 512 CA LYS A 39 -4.807 -3.206 7.922 1.00 0.00 C ATOM 513 C LYS A 39 -4.731 -1.746 7.491 1.00 0.00 C ATOM 514 O LYS A 39 -5.751 -1.070 7.364 1.00 0.00 O ATOM 515 CB LYS A 39 -4.789 -4.135 6.706 1.00 0.00 C ATOM 516 CG LYS A 39 -5.808 -3.783 5.636 1.00 0.00 C ATOM 517 CD LYS A 39 -5.997 -4.929 4.654 1.00 0.00 C ATOM 518 CE LYS A 39 -4.678 -5.349 4.019 1.00 0.00 C ATOM 519 NZ LYS A 39 -4.872 -6.373 2.955 1.00 0.00 N ATOM 0 H LYS A 39 -6.877 -3.314 8.249 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.928 -3.431 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.793 -4.116 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.969 -5.156 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.762 -3.542 6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.482 -2.892 5.100 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.440 -5.781 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.697 -4.629 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.185 -4.474 3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.016 -5.746 4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.948 -6.643 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.334 -7.212 3.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.469 -5.980 2.200 1.00 0.00 H new ATOM 533 N VAL A 40 -3.513 -1.263 7.286 1.00 0.00 N ATOM 534 CA VAL A 40 -3.288 0.118 6.894 1.00 0.00 C ATOM 535 C VAL A 40 -3.021 0.230 5.395 1.00 0.00 C ATOM 536 O VAL A 40 -2.735 -0.766 4.731 1.00 0.00 O ATOM 537 CB VAL A 40 -2.106 0.707 7.706 1.00 0.00 C ATOM 538 CG1 VAL A 40 -1.153 1.514 6.834 1.00 0.00 C ATOM 539 CG2 VAL A 40 -2.627 1.549 8.860 1.00 0.00 C ATOM 0 H VAL A 40 -2.660 -1.814 7.386 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.190 0.691 7.111 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.535 -0.130 8.108 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.342 1.906 7.448 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.741 0.873 6.055 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.693 2.342 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.786 1.956 9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.233 2.367 8.469 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.236 0.928 9.517 1.00 0.00 H new ATOM 549 N LEU A 41 -3.111 1.449 4.869 1.00 0.00 N ATOM 550 CA LEU A 41 -2.867 1.689 3.457 1.00 0.00 C ATOM 551 C LEU A 41 -2.116 3.006 3.258 1.00 0.00 C ATOM 552 O LEU A 41 -2.399 4.002 3.923 1.00 0.00 O ATOM 553 CB LEU A 41 -4.193 1.691 2.678 1.00 0.00 C ATOM 554 CG LEU A 41 -4.480 2.954 1.858 1.00 0.00 C ATOM 555 CD1 LEU A 41 -3.854 2.847 0.474 1.00 0.00 C ATOM 556 CD2 LEU A 41 -5.976 3.191 1.750 1.00 0.00 C ATOM 0 H LEU A 41 -3.352 2.284 5.403 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.244 0.883 3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.199 0.834 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.009 1.546 3.386 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.034 3.806 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.068 3.753 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.775 2.726 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.270 1.985 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.160 4.092 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.445 2.338 1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.398 3.314 2.748 1.00 0.00 H new ATOM 568 N ILE A 42 -1.173 3.000 2.328 1.00 0.00 N ATOM 569 CA ILE A 42 -0.385 4.181 2.011 1.00 0.00 C ATOM 570 C ILE A 42 -0.397 4.418 0.515 1.00 0.00 C ATOM 571 O ILE A 42 0.203 3.659 -0.246 1.00 0.00 O ATOM 572 CB ILE A 42 1.078 4.048 2.475 1.00 0.00 C ATOM 573 CG1 ILE A 42 1.168 3.413 3.865 1.00 0.00 C ATOM 574 CG2 ILE A 42 1.760 5.406 2.468 1.00 0.00 C ATOM 575 CD1 ILE A 42 0.205 3.986 4.878 1.00 0.00 C ATOM 0 H ILE A 42 -0.933 2.178 1.773 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.837 5.019 2.541 1.00 0.00 H new ATOM 0 HB ILE A 42 1.592 3.390 1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.986 2.342 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.184 3.533 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.793 5.296 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.743 5.816 1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.233 6.081 3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.337 3.478 5.833 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.399 5.051 5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.818 3.842 4.530 1.00 0.00 H new ATOM 587 N TYR A 43 -1.091 5.463 0.090 1.00 0.00 N ATOM 588 CA TYR A 43 -1.175 5.771 -1.330 1.00 0.00 C ATOM 589 C TYR A 43 -0.465 7.076 -1.666 1.00 0.00 C ATOM 590 O TYR A 43 -0.277 7.945 -0.811 1.00 0.00 O ATOM 591 CB TYR A 43 -2.635 5.831 -1.795 1.00 0.00 C ATOM 592 CG TYR A 43 -3.590 6.438 -0.791 1.00 0.00 C ATOM 593 CD1 TYR A 43 -3.235 7.554 -0.047 1.00 0.00 C ATOM 594 CD2 TYR A 43 -4.853 5.895 -0.594 1.00 0.00 C ATOM 595 CE1 TYR A 43 -4.109 8.112 0.866 1.00 0.00 C ATOM 596 CE2 TYR A 43 -5.734 6.446 0.317 1.00 0.00 C ATOM 597 CZ TYR A 43 -5.356 7.555 1.044 1.00 0.00 C ATOM 598 OH TYR A 43 -6.229 8.108 1.951 1.00 0.00 O ATOM 0 H TYR A 43 -1.598 6.105 0.699 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.670 4.965 -1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.685 6.407 -2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.970 4.821 -2.031 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.258 7.994 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.152 5.027 -1.163 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.816 8.980 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -6.712 6.011 0.459 1.00 0.00 H new ATOM 0 HH TYR A 43 -7.131 7.760 1.790 1.00 0.00 H new ATOM 608 N ASP A 44 -0.064 7.193 -2.927 1.00 0.00 N ATOM 609 CA ASP A 44 0.623 8.379 -3.415 1.00 0.00 C ATOM 610 C ASP A 44 -0.312 9.181 -4.313 1.00 0.00 C ATOM 611 O ASP A 44 -1.502 8.882 -4.400 1.00 0.00 O ATOM 612 CB ASP A 44 1.874 7.975 -4.192 1.00 0.00 C ATOM 613 CG ASP A 44 3.021 8.947 -3.997 1.00 0.00 C ATOM 614 OD1 ASP A 44 2.914 9.825 -3.115 1.00 0.00 O ATOM 615 OD2 ASP A 44 4.028 8.831 -4.727 1.00 0.00 O ATOM 0 H ASP A 44 -0.206 6.472 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 44 0.919 8.995 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.188 6.980 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.633 7.911 -5.253 1.00 0.00 H new ATOM 620 N ARG A 45 0.225 10.192 -4.991 1.00 0.00 N ATOM 621 CA ARG A 45 -0.587 11.012 -5.889 1.00 0.00 C ATOM 622 C ARG A 45 -1.382 10.122 -6.841 1.00 0.00 C ATOM 623 O ARG A 45 -2.531 10.414 -7.177 1.00 0.00 O ATOM 624 CB ARG A 45 0.283 11.991 -6.687 1.00 0.00 C ATOM 625 CG ARG A 45 1.700 11.500 -6.944 1.00 0.00 C ATOM 626 CD ARG A 45 2.689 12.127 -5.974 1.00 0.00 C ATOM 627 NE ARG A 45 2.978 13.519 -6.311 1.00 0.00 N ATOM 628 CZ ARG A 45 4.039 14.186 -5.864 1.00 0.00 C ATOM 629 NH1 ARG A 45 4.916 13.592 -5.063 1.00 0.00 N ATOM 630 NH2 ARG A 45 4.226 15.450 -6.218 1.00 0.00 N ATOM 0 H ARG A 45 1.207 10.462 -4.938 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.279 11.593 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.199 12.191 -7.644 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.331 12.938 -6.150 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.733 10.415 -6.849 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.990 11.740 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.287 12.075 -4.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.615 11.553 -5.979 1.00 0.00 H new ATOM 0 HE ARG A 45 2.328 14.009 -6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.778 12.620 -4.787 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.728 14.108 -4.723 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.556 15.912 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 45 5.040 15.961 -5.875 1.00 0.00 H new ATOM 644 N PHE A 46 -0.766 9.020 -7.255 1.00 0.00 N ATOM 645 CA PHE A 46 -1.417 8.074 -8.148 1.00 0.00 C ATOM 646 C PHE A 46 -2.234 7.069 -7.345 1.00 0.00 C ATOM 647 O PHE A 46 -3.403 6.832 -7.639 1.00 0.00 O ATOM 648 CB PHE A 46 -0.380 7.350 -9.010 1.00 0.00 C ATOM 649 CG PHE A 46 -0.314 7.863 -10.420 1.00 0.00 C ATOM 650 CD1 PHE A 46 0.297 9.075 -10.701 1.00 0.00 C ATOM 651 CD2 PHE A 46 -0.863 7.135 -11.462 1.00 0.00 C ATOM 652 CE1 PHE A 46 0.359 9.550 -11.997 1.00 0.00 C ATOM 653 CE2 PHE A 46 -0.805 7.606 -12.761 1.00 0.00 C ATOM 654 CZ PHE A 46 -0.193 8.815 -13.029 1.00 0.00 C ATOM 0 H PHE A 46 0.183 8.762 -6.985 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.089 8.624 -8.807 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.602 7.453 -8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -0.614 6.285 -9.029 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.729 9.654 -9.898 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.342 6.189 -11.258 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.839 10.495 -12.203 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.238 7.029 -13.565 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.146 9.185 -14.043 1.00 0.00 H new ATOM 664 N GLY A 47 -1.616 6.490 -6.317 1.00 0.00 N ATOM 665 CA GLY A 47 -2.312 5.524 -5.480 1.00 0.00 C ATOM 666 C GLY A 47 -3.707 5.987 -5.108 1.00 0.00 C ATOM 667 O GLY A 47 -4.615 5.176 -4.947 1.00 0.00 O ATOM 0 H GLY A 47 -0.649 6.671 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.375 4.571 -6.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.735 5.350 -4.572 1.00 0.00 H new ATOM 671 N GLN A 48 -3.878 7.300 -5.007 1.00 0.00 N ATOM 672 CA GLN A 48 -5.176 7.885 -4.689 1.00 0.00 C ATOM 673 C GLN A 48 -5.960 8.099 -5.974 1.00 0.00 C ATOM 674 O GLN A 48 -7.178 7.926 -6.017 1.00 0.00 O ATOM 675 CB GLN A 48 -5.014 9.207 -3.932 1.00 0.00 C ATOM 676 CG GLN A 48 -4.005 10.156 -4.558 1.00 0.00 C ATOM 677 CD GLN A 48 -4.590 11.524 -4.848 1.00 0.00 C ATOM 678 OE1 GLN A 48 -4.619 11.970 -5.995 1.00 0.00 O ATOM 679 NE2 GLN A 48 -5.062 12.199 -3.806 1.00 0.00 N ATOM 0 H GLN A 48 -3.132 7.982 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.722 7.199 -4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.982 9.705 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.709 8.993 -2.908 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.151 10.265 -3.889 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.630 9.722 -5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.018 11.791 -2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.469 13.125 -3.940 1.00 0.00 H new ATOM 688 N ASP A 49 -5.232 8.457 -7.028 1.00 0.00 N ATOM 689 CA ASP A 49 -5.820 8.679 -8.340 1.00 0.00 C ATOM 690 C ASP A 49 -6.470 7.406 -8.873 1.00 0.00 C ATOM 691 O ASP A 49 -7.190 7.439 -9.871 1.00 0.00 O ATOM 692 CB ASP A 49 -4.735 9.132 -9.320 1.00 0.00 C ATOM 693 CG ASP A 49 -5.309 9.816 -10.546 1.00 0.00 C ATOM 694 OD1 ASP A 49 -6.516 9.639 -10.814 1.00 0.00 O ATOM 695 OD2 ASP A 49 -4.551 10.529 -11.236 1.00 0.00 O ATOM 0 H ASP A 49 -4.223 8.600 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.585 9.449 -8.242 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.054 9.815 -8.812 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.147 8.268 -9.631 1.00 0.00 H new ATOM 700 N ILE A 50 -6.188 6.278 -8.225 1.00 0.00 N ATOM 701 CA ILE A 50 -6.720 4.997 -8.659 1.00 0.00 C ATOM 702 C ILE A 50 -7.608 4.348 -7.599 1.00 0.00 C ATOM 703 O ILE A 50 -8.598 3.694 -7.928 1.00 0.00 O ATOM 704 CB ILE A 50 -5.563 4.053 -9.034 1.00 0.00 C ATOM 705 CG1 ILE A 50 -4.749 4.682 -10.168 1.00 0.00 C ATOM 706 CG2 ILE A 50 -6.084 2.679 -9.431 1.00 0.00 C ATOM 707 CD1 ILE A 50 -3.410 5.226 -9.736 1.00 0.00 C ATOM 0 H ILE A 50 -5.593 6.229 -7.398 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.346 5.180 -9.533 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.919 3.914 -8.166 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.592 3.935 -10.946 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.330 5.489 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.245 2.033 -9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.633 2.243 -8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.747 2.776 -10.291 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.896 5.654 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.557 5.998 -8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.807 4.420 -9.318 1.00 0.00 H new ATOM 719 N ILE A 51 -7.260 4.527 -6.329 1.00 0.00 N ATOM 720 CA ILE A 51 -8.051 3.948 -5.248 1.00 0.00 C ATOM 721 C ILE A 51 -9.387 4.676 -5.107 1.00 0.00 C ATOM 722 O ILE A 51 -10.427 4.052 -4.917 1.00 0.00 O ATOM 723 CB ILE A 51 -7.281 3.969 -3.897 1.00 0.00 C ATOM 724 CG1 ILE A 51 -7.360 2.598 -3.217 1.00 0.00 C ATOM 725 CG2 ILE A 51 -7.808 5.055 -2.961 1.00 0.00 C ATOM 726 CD1 ILE A 51 -6.050 2.155 -2.594 1.00 0.00 C ATOM 0 H ILE A 51 -6.446 5.061 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.242 2.907 -5.507 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.239 4.200 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.129 2.628 -2.445 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.674 1.855 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.244 5.037 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.694 6.030 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.862 4.874 -2.751 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.180 1.177 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.283 2.092 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.745 2.877 -1.837 1.00 0.00 H new ATOM 738 N SER A 52 -9.347 5.999 -5.198 1.00 0.00 N ATOM 739 CA SER A 52 -10.549 6.818 -5.073 1.00 0.00 C ATOM 740 C SER A 52 -11.596 6.471 -6.138 1.00 0.00 C ATOM 741 O SER A 52 -12.733 6.137 -5.807 1.00 0.00 O ATOM 742 CB SER A 52 -10.190 8.302 -5.165 1.00 0.00 C ATOM 743 OG SER A 52 -11.345 9.094 -5.383 1.00 0.00 O ATOM 0 H SER A 52 -8.492 6.531 -5.359 1.00 0.00 H new ATOM 0 HA SER A 52 -10.985 6.606 -4.097 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.697 8.618 -4.246 1.00 0.00 H new ATOM 0 HB3 SER A 52 -9.480 8.458 -5.977 1.00 0.00 H new ATOM 0 HG SER A 52 -11.089 10.038 -5.436 1.00 0.00 H new ATOM 749 N PRO A 53 -11.242 6.555 -7.435 1.00 0.00 N ATOM 750 CA PRO A 53 -12.177 6.260 -8.526 1.00 0.00 C ATOM 751 C PRO A 53 -12.934 4.950 -8.317 1.00 0.00 C ATOM 752 O PRO A 53 -14.029 4.767 -8.850 1.00 0.00 O ATOM 753 CB PRO A 53 -11.283 6.172 -9.774 1.00 0.00 C ATOM 754 CG PRO A 53 -9.873 6.277 -9.286 1.00 0.00 C ATOM 755 CD PRO A 53 -9.928 6.958 -7.948 1.00 0.00 C ATOM 0 HA PRO A 53 -12.951 7.024 -8.600 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.443 5.232 -10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.513 6.974 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.419 5.290 -9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.263 6.848 -9.986 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.120 6.631 -7.294 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.844 8.041 -8.041 1.00 0.00 H new ATOM 763 N LEU A 54 -12.351 4.043 -7.540 1.00 0.00 N ATOM 764 CA LEU A 54 -12.982 2.755 -7.264 1.00 0.00 C ATOM 765 C LEU A 54 -13.126 2.520 -5.761 1.00 0.00 C ATOM 766 O LEU A 54 -13.350 1.392 -5.322 1.00 0.00 O ATOM 767 CB LEU A 54 -12.159 1.625 -7.880 1.00 0.00 C ATOM 768 CG LEU A 54 -11.794 1.817 -9.353 1.00 0.00 C ATOM 769 CD1 LEU A 54 -10.319 1.521 -9.584 1.00 0.00 C ATOM 770 CD2 LEU A 54 -12.662 0.932 -10.233 1.00 0.00 C ATOM 0 H LEU A 54 -11.445 4.174 -7.091 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.977 2.768 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.240 1.511 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.716 0.694 -7.778 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.978 2.857 -9.621 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.080 1.663 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -9.713 2.197 -8.980 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -10.106 0.491 -9.300 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.390 1.080 -11.278 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -12.508 -0.113 -9.962 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.711 1.193 -10.090 1.00 0.00 H new ATOM 782 N LEU A 55 -12.978 3.584 -4.976 1.00 0.00 N ATOM 783 CA LEU A 55 -13.073 3.479 -3.527 1.00 0.00 C ATOM 784 C LEU A 55 -13.259 4.852 -2.881 1.00 0.00 C ATOM 785 O LEU A 55 -12.889 5.873 -3.454 1.00 0.00 O ATOM 786 CB LEU A 55 -11.811 2.814 -2.997 1.00 0.00 C ATOM 787 CG LEU A 55 -12.050 1.697 -1.999 1.00 0.00 C ATOM 788 CD1 LEU A 55 -10.905 0.703 -2.045 1.00 0.00 C ATOM 789 CD2 LEU A 55 -12.214 2.280 -0.611 1.00 0.00 C ATOM 0 H LEU A 55 -12.792 4.526 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.946 2.877 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.247 2.414 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.187 3.574 -2.527 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.966 1.166 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.087 -0.095 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.832 0.278 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.973 1.210 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.386 1.475 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.310 2.823 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.064 2.962 -0.601 1.00 0.00 H new ATOM 801 N SER A 56 -13.831 4.871 -1.680 1.00 0.00 N ATOM 802 CA SER A 56 -14.055 6.126 -0.966 1.00 0.00 C ATOM 803 C SER A 56 -13.502 6.053 0.455 1.00 0.00 C ATOM 804 O SER A 56 -12.984 5.020 0.878 1.00 0.00 O ATOM 805 CB SER A 56 -15.547 6.471 -0.937 1.00 0.00 C ATOM 806 OG SER A 56 -15.775 7.784 -1.420 1.00 0.00 O ATOM 0 H SER A 56 -14.146 4.038 -1.183 1.00 0.00 H new ATOM 0 HA SER A 56 -13.524 6.915 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 56 -16.101 5.755 -1.544 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.924 6.384 0.082 1.00 0.00 H new ATOM 0 HG SER A 56 -16.735 7.980 -1.393 1.00 0.00 H new ATOM 812 N VAL A 57 -13.612 7.160 1.183 1.00 0.00 N ATOM 813 CA VAL A 57 -13.118 7.236 2.556 1.00 0.00 C ATOM 814 C VAL A 57 -13.927 6.345 3.488 1.00 0.00 C ATOM 815 O VAL A 57 -13.371 5.593 4.287 1.00 0.00 O ATOM 816 CB VAL A 57 -13.169 8.678 3.095 1.00 0.00 C ATOM 817 CG1 VAL A 57 -12.217 8.845 4.270 1.00 0.00 C ATOM 818 CG2 VAL A 57 -12.853 9.680 1.996 1.00 0.00 C ATOM 0 H VAL A 57 -14.041 8.021 0.844 1.00 0.00 H new ATOM 0 HA VAL A 57 -12.084 6.894 2.530 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.182 8.874 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.268 9.870 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -12.501 8.160 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.199 8.625 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.895 10.691 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.854 9.488 1.605 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.583 9.581 1.192 1.00 0.00 H new ATOM 828 N LYS A 58 -15.243 6.447 3.389 1.00 0.00 N ATOM 829 CA LYS A 58 -16.134 5.659 4.235 1.00 0.00 C ATOM 830 C LYS A 58 -16.057 4.177 3.893 1.00 0.00 C ATOM 831 O LYS A 58 -16.187 3.324 4.772 1.00 0.00 O ATOM 832 CB LYS A 58 -17.575 6.156 4.101 1.00 0.00 C ATOM 833 CG LYS A 58 -18.158 5.961 2.712 1.00 0.00 C ATOM 834 CD LYS A 58 -18.948 4.667 2.617 1.00 0.00 C ATOM 835 CE LYS A 58 -19.640 4.536 1.270 1.00 0.00 C ATOM 836 NZ LYS A 58 -20.905 5.319 1.217 1.00 0.00 N ATOM 0 H LYS A 58 -15.720 7.066 2.733 1.00 0.00 H new ATOM 0 HA LYS A 58 -15.809 5.785 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.200 5.633 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.610 7.215 4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.805 6.803 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -17.354 5.952 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -18.280 3.819 2.768 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -19.691 4.633 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.968 4.877 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -19.855 3.486 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -21.346 5.203 0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.556 4.977 1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.698 6.325 1.380 1.00 0.00 H new ATOM 850 N GLU A 59 -15.824 3.868 2.624 1.00 0.00 N ATOM 851 CA GLU A 59 -15.710 2.475 2.202 1.00 0.00 C ATOM 852 C GLU A 59 -14.365 1.922 2.650 1.00 0.00 C ATOM 853 O GLU A 59 -14.224 0.728 2.914 1.00 0.00 O ATOM 854 CB GLU A 59 -15.864 2.317 0.681 1.00 0.00 C ATOM 855 CG GLU A 59 -16.325 3.573 -0.037 1.00 0.00 C ATOM 856 CD GLU A 59 -16.608 3.336 -1.508 1.00 0.00 C ATOM 857 OE1 GLU A 59 -15.907 2.503 -2.120 1.00 0.00 O ATOM 858 OE2 GLU A 59 -17.531 3.981 -2.046 1.00 0.00 O ATOM 0 H GLU A 59 -15.711 4.552 1.876 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.520 1.915 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.908 2.004 0.262 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.577 1.517 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -17.226 3.952 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.561 4.344 0.062 1.00 0.00 H new ATOM 865 N LEU A 60 -13.381 2.812 2.749 1.00 0.00 N ATOM 866 CA LEU A 60 -12.046 2.432 3.182 1.00 0.00 C ATOM 867 C LEU A 60 -12.091 1.839 4.584 1.00 0.00 C ATOM 868 O LEU A 60 -11.558 0.759 4.832 1.00 0.00 O ATOM 869 CB LEU A 60 -11.116 3.646 3.161 1.00 0.00 C ATOM 870 CG LEU A 60 -10.492 3.952 1.801 1.00 0.00 C ATOM 871 CD1 LEU A 60 -10.175 5.433 1.670 1.00 0.00 C ATOM 872 CD2 LEU A 60 -9.242 3.114 1.600 1.00 0.00 C ATOM 0 H LEU A 60 -13.487 3.803 2.534 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.662 1.679 2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.676 4.520 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.316 3.486 3.884 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.212 3.695 1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.732 5.625 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.093 6.012 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.473 5.725 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.805 3.340 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.520 3.343 2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.502 2.056 1.644 1.00 0.00 H new ATOM 884 N ARG A 61 -12.737 2.556 5.498 1.00 0.00 N ATOM 885 CA ARG A 61 -12.856 2.103 6.880 1.00 0.00 C ATOM 886 C ARG A 61 -13.872 0.970 7.003 1.00 0.00 C ATOM 887 O ARG A 61 -13.815 0.174 7.940 1.00 0.00 O ATOM 888 CB ARG A 61 -13.263 3.267 7.784 1.00 0.00 C ATOM 889 CG ARG A 61 -12.505 4.554 7.499 1.00 0.00 C ATOM 890 CD ARG A 61 -11.804 5.080 8.741 1.00 0.00 C ATOM 891 NE ARG A 61 -12.753 5.464 9.784 1.00 0.00 N ATOM 892 CZ ARG A 61 -12.469 6.313 10.769 1.00 0.00 C ATOM 893 NH1 ARG A 61 -11.265 6.863 10.857 1.00 0.00 N ATOM 894 NH2 ARG A 61 -13.394 6.612 11.672 1.00 0.00 N ATOM 0 H ARG A 61 -13.186 3.452 5.307 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.883 1.726 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.331 3.451 7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.101 2.982 8.824 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.770 4.377 6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.197 5.309 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.130 4.316 9.128 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.191 5.941 8.474 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.688 5.057 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.549 6.636 10.167 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.055 7.513 11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.321 6.191 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.178 7.262 12.427 1.00 0.00 H new ATOM 908 N ASP A 62 -14.803 0.909 6.058 1.00 0.00 N ATOM 909 CA ASP A 62 -15.835 -0.123 6.070 1.00 0.00 C ATOM 910 C ASP A 62 -15.278 -1.481 5.647 1.00 0.00 C ATOM 911 O ASP A 62 -15.873 -2.519 5.940 1.00 0.00 O ATOM 912 CB ASP A 62 -16.990 0.275 5.149 1.00 0.00 C ATOM 913 CG ASP A 62 -18.162 0.863 5.912 1.00 0.00 C ATOM 914 OD1 ASP A 62 -18.622 0.219 6.878 1.00 0.00 O ATOM 915 OD2 ASP A 62 -18.618 1.964 5.543 1.00 0.00 O ATOM 0 H ASP A 62 -14.865 1.560 5.275 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.200 -0.213 7.093 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -16.635 1.001 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -17.325 -0.600 4.592 1.00 0.00 H new ATOM 920 N MET A 63 -14.139 -1.478 4.958 1.00 0.00 N ATOM 921 CA MET A 63 -13.527 -2.725 4.505 1.00 0.00 C ATOM 922 C MET A 63 -12.582 -3.294 5.558 1.00 0.00 C ATOM 923 O MET A 63 -12.264 -4.483 5.536 1.00 0.00 O ATOM 924 CB MET A 63 -12.760 -2.501 3.202 1.00 0.00 C ATOM 925 CG MET A 63 -13.652 -2.189 2.012 1.00 0.00 C ATOM 926 SD MET A 63 -12.714 -1.661 0.565 1.00 0.00 S ATOM 927 CE MET A 63 -11.577 -0.494 1.310 1.00 0.00 C ATOM 0 H MET A 63 -13.625 -0.635 4.703 1.00 0.00 H new ATOM 0 HA MET A 63 -14.330 -3.442 4.336 1.00 0.00 H new ATOM 0 HB2 MET A 63 -12.056 -1.680 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 63 -12.172 -3.391 2.980 1.00 0.00 H new ATOM 0 HG2 MET A 63 -14.237 -3.073 1.759 1.00 0.00 H new ATOM 0 HG3 MET A 63 -14.359 -1.407 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 63 -11.223 0.204 0.551 1.00 0.00 H new ATOM 0 HE2 MET A 63 -12.087 0.057 2.100 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.728 -1.032 1.732 1.00 0.00 H new ATOM 937 N GLY A 64 -12.138 -2.446 6.481 1.00 0.00 N ATOM 938 CA GLY A 64 -11.240 -2.901 7.523 1.00 0.00 C ATOM 939 C GLY A 64 -9.928 -2.140 7.554 1.00 0.00 C ATOM 940 O GLY A 64 -8.881 -2.714 7.854 1.00 0.00 O ATOM 0 H GLY A 64 -12.383 -1.457 6.525 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.734 -2.800 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.034 -3.962 7.379 1.00 0.00 H new ATOM 944 N ILE A 65 -9.978 -0.846 7.255 1.00 0.00 N ATOM 945 CA ILE A 65 -8.778 -0.021 7.264 1.00 0.00 C ATOM 946 C ILE A 65 -8.679 0.773 8.567 1.00 0.00 C ATOM 947 O ILE A 65 -9.609 1.485 8.946 1.00 0.00 O ATOM 948 CB ILE A 65 -8.743 0.932 6.044 1.00 0.00 C ATOM 949 CG1 ILE A 65 -7.357 0.918 5.405 1.00 0.00 C ATOM 950 CG2 ILE A 65 -9.136 2.355 6.424 1.00 0.00 C ATOM 951 CD1 ILE A 65 -7.260 1.791 4.176 1.00 0.00 C ATOM 0 H ILE A 65 -10.833 -0.349 7.005 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.917 -0.685 7.196 1.00 0.00 H new ATOM 0 HB ILE A 65 -9.476 0.571 5.322 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.622 1.251 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.098 -0.106 5.137 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -9.099 2.991 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -10.148 2.357 6.830 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.443 2.736 7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.250 1.737 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.971 1.444 3.426 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.489 2.823 4.444 1.00 0.00 H new ATOM 963 N THR A 66 -7.551 0.634 9.255 1.00 0.00 N ATOM 964 CA THR A 66 -7.338 1.331 10.519 1.00 0.00 C ATOM 965 C THR A 66 -6.708 2.707 10.305 1.00 0.00 C ATOM 966 O THR A 66 -6.711 3.540 11.210 1.00 0.00 O ATOM 967 CB THR A 66 -6.447 0.503 11.445 1.00 0.00 C ATOM 968 OG1 THR A 66 -5.979 1.290 12.525 1.00 0.00 O ATOM 969 CG2 THR A 66 -5.239 -0.085 10.750 1.00 0.00 C ATOM 0 H THR A 66 -6.771 0.046 8.960 1.00 0.00 H new ATOM 0 HA THR A 66 -8.316 1.468 10.980 1.00 0.00 H new ATOM 0 HB THR A 66 -7.077 -0.315 11.794 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.412 0.742 13.107 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.651 -0.660 11.466 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.567 -0.739 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.627 0.719 10.341 1.00 0.00 H new ATOM 977 N LEU A 67 -6.159 2.943 9.113 1.00 0.00 N ATOM 978 CA LEU A 67 -5.524 4.223 8.821 1.00 0.00 C ATOM 979 C LEU A 67 -5.088 4.300 7.361 1.00 0.00 C ATOM 980 O LEU A 67 -4.545 3.345 6.806 1.00 0.00 O ATOM 981 CB LEU A 67 -4.322 4.430 9.755 1.00 0.00 C ATOM 982 CG LEU A 67 -3.296 5.492 9.333 1.00 0.00 C ATOM 983 CD1 LEU A 67 -2.369 4.952 8.250 1.00 0.00 C ATOM 984 CD2 LEU A 67 -3.988 6.764 8.864 1.00 0.00 C ATOM 0 H LEU A 67 -6.142 2.272 8.345 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.250 5.018 8.992 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.700 4.695 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.803 3.477 9.858 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.692 5.739 10.206 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.651 5.722 7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.835 4.081 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.956 4.666 7.377 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.238 7.499 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.627 6.537 8.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.595 7.168 9.674 1.00 0.00 H new ATOM 996 N HIS A 68 -5.326 5.455 6.754 1.00 0.00 N ATOM 997 CA HIS A 68 -4.957 5.689 5.365 1.00 0.00 C ATOM 998 C HIS A 68 -4.406 7.101 5.202 1.00 0.00 C ATOM 999 O HIS A 68 -5.102 8.078 5.477 1.00 0.00 O ATOM 1000 CB HIS A 68 -6.169 5.494 4.453 1.00 0.00 C ATOM 1001 CG HIS A 68 -7.387 6.235 4.910 1.00 0.00 C ATOM 1002 ND1 HIS A 68 -8.235 5.757 5.887 1.00 0.00 N ATOM 1003 CD2 HIS A 68 -7.901 7.426 4.519 1.00 0.00 C ATOM 1004 CE1 HIS A 68 -9.217 6.621 6.076 1.00 0.00 C ATOM 1005 NE2 HIS A 68 -9.036 7.641 5.259 1.00 0.00 N ATOM 0 H HIS A 68 -5.777 6.250 7.207 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.187 4.971 5.083 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.912 5.821 3.445 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.401 4.431 4.394 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.122 4.874 6.386 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.493 8.083 3.765 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.029 6.511 6.779 1.00 0.00 H new ATOM 1014 N LEU A 69 -3.152 7.214 4.767 1.00 0.00 N ATOM 1015 CA LEU A 69 -2.541 8.526 4.596 1.00 0.00 C ATOM 1016 C LEU A 69 -1.592 8.575 3.398 1.00 0.00 C ATOM 1017 O LEU A 69 -1.273 7.551 2.784 1.00 0.00 O ATOM 1018 CB LEU A 69 -1.826 8.948 5.889 1.00 0.00 C ATOM 1019 CG LEU A 69 -0.410 8.399 6.096 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.342 6.917 5.766 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.587 9.181 5.261 1.00 0.00 C ATOM 0 H LEU A 69 -2.550 6.426 4.531 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.340 9.237 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.777 10.037 5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.439 8.638 6.735 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.151 8.517 7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.674 6.556 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.026 6.368 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.626 6.763 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.588 8.779 5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.324 9.096 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.566 10.230 5.557 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.167 9.793 3.068 1.00 0.00 N ATOM 1034 CA LEU A 70 -0.270 10.045 1.946 1.00 0.00 C ATOM 1035 C LEU A 70 1.192 9.932 2.355 1.00 0.00 C ATOM 1036 O LEU A 70 1.617 10.527 3.343 1.00 0.00 O ATOM 1037 CB LEU A 70 -0.506 11.455 1.405 1.00 0.00 C ATOM 1038 CG LEU A 70 -1.402 11.558 0.176 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -1.328 12.963 -0.401 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -1.004 10.527 -0.871 1.00 0.00 C ATOM 0 H LEU A 70 -1.437 10.636 3.575 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.482 9.294 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.943 12.059 2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.461 11.897 1.163 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.430 11.353 0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.970 13.030 -1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.661 13.682 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.300 13.186 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.657 10.619 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.029 10.697 -1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.099 9.526 -0.450 1.00 0.00 H new ATOM 1052 N LEU A 71 1.971 9.204 1.566 1.00 0.00 N ATOM 1053 CA LEU A 71 3.399 9.062 1.843 1.00 0.00 C ATOM 1054 C LEU A 71 4.039 10.426 2.066 1.00 0.00 C ATOM 1055 O LEU A 71 5.050 10.553 2.756 1.00 0.00 O ATOM 1056 CB LEU A 71 4.089 8.354 0.687 1.00 0.00 C ATOM 1057 CG LEU A 71 3.383 7.093 0.217 1.00 0.00 C ATOM 1058 CD1 LEU A 71 2.837 7.284 -1.185 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.322 5.897 0.291 1.00 0.00 C ATOM 0 H LEU A 71 1.645 8.707 0.737 1.00 0.00 H new ATOM 0 HA LEU A 71 3.515 8.467 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.170 9.046 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.105 8.097 0.987 1.00 0.00 H new ATOM 0 HG LEU A 71 2.540 6.894 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.334 6.372 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.127 8.111 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.657 7.507 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.800 5.003 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.189 6.075 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.651 5.756 1.321 1.00 0.00 H new ATOM 1071 N HIS A 72 3.424 11.443 1.478 1.00 0.00 N ATOM 1072 CA HIS A 72 3.898 12.814 1.600 1.00 0.00 C ATOM 1073 C HIS A 72 3.193 13.515 2.753 1.00 0.00 C ATOM 1074 O HIS A 72 2.836 14.690 2.657 1.00 0.00 O ATOM 1075 CB HIS A 72 3.645 13.570 0.299 1.00 0.00 C ATOM 1076 CG HIS A 72 4.732 14.538 -0.056 1.00 0.00 C ATOM 1077 ND1 HIS A 72 4.855 15.106 -1.306 1.00 0.00 N ATOM 1078 CD2 HIS A 72 5.748 15.037 0.685 1.00 0.00 C ATOM 1079 CE1 HIS A 72 5.901 15.912 -1.319 1.00 0.00 C ATOM 1080 NE2 HIS A 72 6.459 15.889 -0.123 1.00 0.00 N ATOM 0 H HIS A 72 2.586 11.341 0.905 1.00 0.00 H new ATOM 0 HA HIS A 72 4.969 12.798 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.531 12.851 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.702 14.110 0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.960 14.808 1.719 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.242 16.491 -2.164 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.285 16.419 0.156 1.00 0.00 H new ATOM 1089 N SER A 73 2.987 12.783 3.840 1.00 0.00 N ATOM 1090 CA SER A 73 2.313 13.328 5.011 1.00 0.00 C ATOM 1091 C SER A 73 2.878 12.730 6.296 1.00 0.00 C ATOM 1092 O SER A 73 3.842 11.966 6.265 1.00 0.00 O ATOM 1093 CB SER A 73 0.810 13.058 4.930 1.00 0.00 C ATOM 1094 OG SER A 73 0.065 14.158 5.425 1.00 0.00 O ATOM 0 H SER A 73 3.277 11.810 3.935 1.00 0.00 H new ATOM 0 HA SER A 73 2.484 14.404 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.528 12.860 3.896 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.567 12.163 5.503 1.00 0.00 H new ATOM 0 HG SER A 73 -0.893 13.960 5.360 1.00 0.00 H new ATOM 1100 N ASP A 74 2.265 13.078 7.423 1.00 0.00 N ATOM 1101 CA ASP A 74 2.702 12.571 8.720 1.00 0.00 C ATOM 1102 C ASP A 74 2.097 11.198 8.994 1.00 0.00 C ATOM 1103 O ASP A 74 0.900 11.078 9.256 1.00 0.00 O ATOM 1104 CB ASP A 74 2.311 13.545 9.832 1.00 0.00 C ATOM 1105 CG ASP A 74 3.275 14.710 9.948 1.00 0.00 C ATOM 1106 OD1 ASP A 74 4.437 14.482 10.345 1.00 0.00 O ATOM 1107 OD2 ASP A 74 2.869 15.850 9.641 1.00 0.00 O ATOM 0 H ASP A 74 1.464 13.709 7.465 1.00 0.00 H new ATOM 0 HA ASP A 74 3.788 12.475 8.699 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.307 13.925 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.275 13.012 10.782 1.00 0.00 H new ATOM 1112 N ARG A 75 2.930 10.165 8.929 1.00 0.00 N ATOM 1113 CA ARG A 75 2.476 8.800 9.168 1.00 0.00 C ATOM 1114 C ARG A 75 2.440 8.483 10.658 1.00 0.00 C ATOM 1115 O ARG A 75 3.345 8.856 11.405 1.00 0.00 O ATOM 1116 CB ARG A 75 3.389 7.801 8.454 1.00 0.00 C ATOM 1117 CG ARG A 75 3.669 8.158 7.004 1.00 0.00 C ATOM 1118 CD ARG A 75 3.306 7.019 6.063 1.00 0.00 C ATOM 1119 NE ARG A 75 4.018 7.111 4.797 1.00 0.00 N ATOM 1120 CZ ARG A 75 5.334 6.950 4.674 1.00 0.00 C ATOM 1121 NH1 ARG A 75 6.081 6.702 5.742 1.00 0.00 N ATOM 1122 NH2 ARG A 75 5.903 7.039 3.481 1.00 0.00 N ATOM 0 H ARG A 75 3.923 10.247 8.713 1.00 0.00 H new ATOM 0 HA ARG A 75 1.465 8.714 8.771 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.335 7.737 8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.932 6.812 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.102 9.049 6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.724 8.404 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.537 6.067 6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.232 7.031 5.877 1.00 0.00 H new ATOM 0 HE ARG A 75 3.478 7.310 3.955 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.648 6.634 6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.089 6.579 5.642 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.333 7.231 2.657 1.00 0.00 H new ATOM 0 HH22 ARG A 75 6.911 6.916 3.386 1.00 0.00 H new ATOM 1136 N ASP A 76 1.394 7.783 11.081 1.00 0.00 N ATOM 1137 CA ASP A 76 1.245 7.402 12.480 1.00 0.00 C ATOM 1138 C ASP A 76 1.951 6.074 12.739 1.00 0.00 C ATOM 1139 O ASP A 76 1.930 5.179 11.896 1.00 0.00 O ATOM 1140 CB ASP A 76 -0.236 7.291 12.847 1.00 0.00 C ATOM 1141 CG ASP A 76 -0.969 8.608 12.695 1.00 0.00 C ATOM 1142 OD1 ASP A 76 -0.875 9.449 13.613 1.00 0.00 O ATOM 1143 OD2 ASP A 76 -1.638 8.800 11.658 1.00 0.00 O ATOM 0 H ASP A 76 0.637 7.468 10.475 1.00 0.00 H new ATOM 0 HA ASP A 76 1.701 8.172 13.102 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.709 6.540 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.327 6.944 13.876 1.00 0.00 H new ATOM 1148 N PRO A 77 2.602 5.929 13.906 1.00 0.00 N ATOM 1149 CA PRO A 77 3.323 4.704 14.251 1.00 0.00 C ATOM 1150 C PRO A 77 2.410 3.612 14.798 1.00 0.00 C ATOM 1151 O PRO A 77 1.899 3.717 15.913 1.00 0.00 O ATOM 1152 CB PRO A 77 4.286 5.181 15.334 1.00 0.00 C ATOM 1153 CG PRO A 77 3.548 6.276 16.025 1.00 0.00 C ATOM 1154 CD PRO A 77 2.701 6.946 14.973 1.00 0.00 C ATOM 0 HA PRO A 77 3.803 4.252 13.383 1.00 0.00 H new ATOM 0 HB2 PRO A 77 4.540 4.376 16.023 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.221 5.540 14.905 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.928 5.880 16.829 1.00 0.00 H new ATOM 0 HG3 PRO A 77 4.240 6.986 16.477 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.719 7.216 15.361 1.00 0.00 H new ATOM 0 HD3 PRO A 77 3.164 7.864 14.610 1.00 0.00 H new ATOM 1162 N ILE A 78 2.220 2.558 14.010 1.00 0.00 N ATOM 1163 CA ILE A 78 1.380 1.436 14.425 1.00 0.00 C ATOM 1164 C ILE A 78 2.067 0.106 14.130 1.00 0.00 C ATOM 1165 O ILE A 78 1.815 -0.520 13.102 1.00 0.00 O ATOM 1166 CB ILE A 78 0.005 1.457 13.727 1.00 0.00 C ATOM 1167 CG1 ILE A 78 -0.518 2.890 13.617 1.00 0.00 C ATOM 1168 CG2 ILE A 78 -0.983 0.585 14.485 1.00 0.00 C ATOM 1169 CD1 ILE A 78 -0.215 3.539 12.286 1.00 0.00 C ATOM 0 H ILE A 78 2.634 2.456 13.083 1.00 0.00 H new ATOM 0 HA ILE A 78 1.226 1.541 15.499 1.00 0.00 H new ATOM 0 HB ILE A 78 0.120 1.056 12.720 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -1.596 2.888 13.775 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.080 3.491 14.414 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.950 0.609 13.982 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -0.615 -0.440 14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.094 0.961 15.502 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.614 4.553 12.277 1.00 0.00 H new ATOM 0 HD12 ILE A 78 0.864 3.572 12.135 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.676 2.960 11.486 1.00 0.00 H new ATOM 1181 N ARG A 79 2.939 -0.316 15.040 1.00 0.00 N ATOM 1182 CA ARG A 79 3.675 -1.572 14.879 1.00 0.00 C ATOM 1183 C ARG A 79 2.772 -2.779 15.110 1.00 0.00 C ATOM 1184 O ARG A 79 3.089 -3.891 14.688 1.00 0.00 O ATOM 1185 CB ARG A 79 4.868 -1.638 15.844 1.00 0.00 C ATOM 1186 CG ARG A 79 5.391 -0.281 16.290 1.00 0.00 C ATOM 1187 CD ARG A 79 6.397 -0.419 17.419 1.00 0.00 C ATOM 1188 NE ARG A 79 7.391 0.652 17.404 1.00 0.00 N ATOM 1189 CZ ARG A 79 8.142 0.982 18.452 1.00 0.00 C ATOM 1190 NH1 ARG A 79 8.016 0.326 19.600 1.00 0.00 N ATOM 1191 NH2 ARG A 79 9.020 1.970 18.354 1.00 0.00 N ATOM 0 H ARG A 79 3.156 0.191 15.898 1.00 0.00 H new ATOM 0 HA ARG A 79 4.042 -1.599 13.853 1.00 0.00 H new ATOM 0 HB2 ARG A 79 4.576 -2.209 16.725 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.678 -2.186 15.364 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.857 0.227 15.445 1.00 0.00 H new ATOM 0 HG3 ARG A 79 4.558 0.342 16.617 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.872 -0.412 18.374 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.901 -1.382 17.339 1.00 0.00 H new ATOM 0 HE ARG A 79 7.517 1.178 16.539 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.341 -0.435 19.681 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.594 0.583 20.400 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.120 2.478 17.475 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.595 2.223 19.157 1.00 0.00 H new ATOM 1205 N ASP A 80 1.653 -2.560 15.791 1.00 0.00 N ATOM 1206 CA ASP A 80 0.717 -3.641 16.085 1.00 0.00 C ATOM 1207 C ASP A 80 -0.398 -3.714 15.043 1.00 0.00 C ATOM 1208 O ASP A 80 -1.490 -4.204 15.329 1.00 0.00 O ATOM 1209 CB ASP A 80 0.115 -3.454 17.479 1.00 0.00 C ATOM 1210 CG ASP A 80 0.836 -4.270 18.534 1.00 0.00 C ATOM 1211 OD1 ASP A 80 0.534 -5.475 18.662 1.00 0.00 O ATOM 1212 OD2 ASP A 80 1.704 -3.704 19.232 1.00 0.00 O ATOM 0 H ASP A 80 1.372 -1.647 16.149 1.00 0.00 H new ATOM 0 HA ASP A 80 1.272 -4.579 16.053 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.154 -2.399 17.750 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.937 -3.739 17.459 1.00 0.00 H new ATOM 1217 N VAL A 81 -0.124 -3.222 13.837 1.00 0.00 N ATOM 1218 CA VAL A 81 -1.116 -3.237 12.769 1.00 0.00 C ATOM 1219 C VAL A 81 -0.459 -3.360 11.393 1.00 0.00 C ATOM 1220 O VAL A 81 0.450 -2.597 11.064 1.00 0.00 O ATOM 1221 CB VAL A 81 -1.968 -1.955 12.800 1.00 0.00 C ATOM 1222 CG1 VAL A 81 -2.947 -1.915 11.632 1.00 0.00 C ATOM 1223 CG2 VAL A 81 -2.704 -1.835 14.125 1.00 0.00 C ATOM 0 H VAL A 81 0.772 -2.810 13.577 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.751 -4.107 12.936 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.297 -1.102 12.700 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.535 -0.998 11.681 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.394 -1.942 10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.613 -2.776 11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.301 -0.923 14.128 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.358 -2.697 14.257 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.982 -1.799 14.940 1.00 0.00 H new ATOM 1233 N PRO A 82 -0.924 -4.309 10.558 1.00 0.00 N ATOM 1234 CA PRO A 82 -0.386 -4.498 9.207 1.00 0.00 C ATOM 1235 C PRO A 82 -0.662 -3.282 8.330 1.00 0.00 C ATOM 1236 O PRO A 82 -1.685 -2.617 8.492 1.00 0.00 O ATOM 1237 CB PRO A 82 -1.138 -5.725 8.683 1.00 0.00 C ATOM 1238 CG PRO A 82 -2.385 -5.784 9.495 1.00 0.00 C ATOM 1239 CD PRO A 82 -2.020 -5.251 10.851 1.00 0.00 C ATOM 0 HA PRO A 82 0.696 -4.629 9.203 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.362 -5.627 7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.546 -6.632 8.802 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.175 -5.187 9.041 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.758 -6.806 9.565 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.863 -4.752 11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.699 -6.046 11.523 1.00 0.00 H new ATOM 1247 N ALA A 83 0.251 -2.982 7.413 1.00 0.00 N ATOM 1248 CA ALA A 83 0.083 -1.826 6.540 1.00 0.00 C ATOM 1249 C ALA A 83 0.158 -2.195 5.064 1.00 0.00 C ATOM 1250 O ALA A 83 0.656 -3.258 4.693 1.00 0.00 O ATOM 1251 CB ALA A 83 1.127 -0.772 6.860 1.00 0.00 C ATOM 0 H ALA A 83 1.106 -3.516 7.256 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.914 -1.428 6.727 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.991 0.086 6.202 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.018 -0.455 7.897 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.123 -1.189 6.711 1.00 0.00 H new ATOM 1257 N VAL A 84 -0.336 -1.285 4.234 1.00 0.00 N ATOM 1258 CA VAL A 84 -0.337 -1.456 2.787 1.00 0.00 C ATOM 1259 C VAL A 84 0.217 -0.201 2.128 1.00 0.00 C ATOM 1260 O VAL A 84 -0.130 0.907 2.521 1.00 0.00 O ATOM 1261 CB VAL A 84 -1.762 -1.715 2.256 1.00 0.00 C ATOM 1262 CG1 VAL A 84 -1.749 -1.968 0.757 1.00 0.00 C ATOM 1263 CG2 VAL A 84 -2.404 -2.872 3.002 1.00 0.00 C ATOM 0 H VAL A 84 -0.748 -0.406 4.546 1.00 0.00 H new ATOM 0 HA VAL A 84 0.285 -2.318 2.547 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.361 -0.822 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.766 -2.148 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.339 -1.098 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.132 -2.840 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.409 -3.042 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.805 -3.772 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.460 -2.634 4.064 1.00 0.00 H new ATOM 1273 N TYR A 85 1.093 -0.365 1.145 1.00 0.00 N ATOM 1274 CA TYR A 85 1.685 0.786 0.475 1.00 0.00 C ATOM 1275 C TYR A 85 1.468 0.739 -1.036 1.00 0.00 C ATOM 1276 O TYR A 85 2.392 0.449 -1.796 1.00 0.00 O ATOM 1277 CB TYR A 85 3.183 0.862 0.783 1.00 0.00 C ATOM 1278 CG TYR A 85 3.507 1.448 2.142 1.00 0.00 C ATOM 1279 CD1 TYR A 85 2.983 0.895 3.305 1.00 0.00 C ATOM 1280 CD2 TYR A 85 4.342 2.553 2.262 1.00 0.00 C ATOM 1281 CE1 TYR A 85 3.281 1.427 4.547 1.00 0.00 C ATOM 1282 CE2 TYR A 85 4.645 3.088 3.501 1.00 0.00 C ATOM 1283 CZ TYR A 85 4.112 2.522 4.638 1.00 0.00 C ATOM 1284 OH TYR A 85 4.412 3.052 5.872 1.00 0.00 O ATOM 0 H TYR A 85 1.406 -1.271 0.797 1.00 0.00 H new ATOM 0 HA TYR A 85 1.187 1.678 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.607 -0.140 0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.671 1.462 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.332 0.036 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.761 3.001 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.864 0.986 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.297 3.946 3.577 1.00 0.00 H new ATOM 0 HH TYR A 85 3.775 2.716 6.536 1.00 0.00 H new ATOM 1294 N PHE A 86 0.248 1.052 -1.472 1.00 0.00 N ATOM 1295 CA PHE A 86 -0.068 1.071 -2.897 1.00 0.00 C ATOM 1296 C PHE A 86 0.327 2.424 -3.480 1.00 0.00 C ATOM 1297 O PHE A 86 -0.473 3.360 -3.491 1.00 0.00 O ATOM 1298 CB PHE A 86 -1.560 0.800 -3.134 1.00 0.00 C ATOM 1299 CG PHE A 86 -2.076 1.349 -4.436 1.00 0.00 C ATOM 1300 CD1 PHE A 86 -1.354 1.180 -5.604 1.00 0.00 C ATOM 1301 CD2 PHE A 86 -3.279 2.033 -4.490 1.00 0.00 C ATOM 1302 CE1 PHE A 86 -1.822 1.681 -6.802 1.00 0.00 C ATOM 1303 CE2 PHE A 86 -3.753 2.536 -5.685 1.00 0.00 C ATOM 1304 CZ PHE A 86 -3.023 2.359 -6.844 1.00 0.00 C ATOM 0 H PHE A 86 -0.533 1.294 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 86 0.494 0.281 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.733 -0.276 -3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.133 1.233 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.413 0.650 -5.578 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.853 2.175 -3.586 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.248 1.542 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.693 3.067 -5.714 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.391 2.750 -7.781 1.00 0.00 H new ATOM 1314 N VAL A 87 1.571 2.533 -3.931 1.00 0.00 N ATOM 1315 CA VAL A 87 2.063 3.789 -4.475 1.00 0.00 C ATOM 1316 C VAL A 87 2.917 3.586 -5.725 1.00 0.00 C ATOM 1317 O VAL A 87 3.185 2.460 -6.130 1.00 0.00 O ATOM 1318 CB VAL A 87 2.873 4.547 -3.409 1.00 0.00 C ATOM 1319 CG1 VAL A 87 2.065 4.667 -2.131 1.00 0.00 C ATOM 1320 CG2 VAL A 87 4.190 3.848 -3.128 1.00 0.00 C ATOM 0 H VAL A 87 2.251 1.773 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 87 1.192 4.376 -4.765 1.00 0.00 H new ATOM 0 HB VAL A 87 3.091 5.544 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.646 5.205 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.142 5.211 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.825 3.672 -1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.743 4.404 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.996 2.838 -2.767 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.778 3.799 -4.044 1.00 0.00 H new ATOM 1330 N MET A 88 3.330 4.695 -6.335 1.00 0.00 N ATOM 1331 CA MET A 88 4.142 4.655 -7.547 1.00 0.00 C ATOM 1332 C MET A 88 5.532 4.088 -7.278 1.00 0.00 C ATOM 1333 O MET A 88 6.061 4.213 -6.176 1.00 0.00 O ATOM 1334 CB MET A 88 4.275 6.059 -8.140 1.00 0.00 C ATOM 1335 CG MET A 88 2.945 6.722 -8.450 1.00 0.00 C ATOM 1336 SD MET A 88 2.815 7.246 -10.170 1.00 0.00 S ATOM 1337 CE MET A 88 2.094 5.786 -10.912 1.00 0.00 C ATOM 0 H MET A 88 3.114 5.636 -6.007 1.00 0.00 H new ATOM 0 HA MET A 88 3.636 3.999 -8.256 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.829 6.687 -7.442 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.864 6.002 -9.055 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.136 6.028 -8.224 1.00 0.00 H new ATOM 0 HG3 MET A 88 2.814 7.587 -7.800 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.147 5.866 -11.998 1.00 0.00 H new ATOM 0 HE2 MET A 88 2.644 4.903 -10.586 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.052 5.698 -10.605 1.00 0.00 H new ATOM 1347 N PRO A 89 6.146 3.458 -8.295 1.00 0.00 N ATOM 1348 CA PRO A 89 7.475 2.880 -8.185 1.00 0.00 C ATOM 1349 C PRO A 89 8.556 3.854 -8.631 1.00 0.00 C ATOM 1350 O PRO A 89 9.476 3.487 -9.363 1.00 0.00 O ATOM 1351 CB PRO A 89 7.390 1.706 -9.152 1.00 0.00 C ATOM 1352 CG PRO A 89 6.471 2.174 -10.236 1.00 0.00 C ATOM 1353 CD PRO A 89 5.591 3.256 -9.644 1.00 0.00 C ATOM 0 HA PRO A 89 7.740 2.608 -7.163 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.372 1.448 -9.549 1.00 0.00 H new ATOM 0 HB3 PRO A 89 7.001 0.815 -8.660 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.040 2.561 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.866 1.348 -10.610 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.630 4.171 -10.234 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.547 2.946 -9.605 1.00 0.00 H new ATOM 1361 N THR A 90 8.429 5.102 -8.200 1.00 0.00 N ATOM 1362 CA THR A 90 9.378 6.138 -8.567 1.00 0.00 C ATOM 1363 C THR A 90 10.447 6.314 -7.493 1.00 0.00 C ATOM 1364 O THR A 90 10.256 5.918 -6.343 1.00 0.00 O ATOM 1365 CB THR A 90 8.639 7.456 -8.807 1.00 0.00 C ATOM 1366 OG1 THR A 90 8.605 8.242 -7.631 1.00 0.00 O ATOM 1367 CG2 THR A 90 7.208 7.272 -9.278 1.00 0.00 C ATOM 0 H THR A 90 7.673 5.420 -7.593 1.00 0.00 H new ATOM 0 HA THR A 90 9.879 5.835 -9.486 1.00 0.00 H new ATOM 0 HB THR A 90 9.203 7.954 -9.596 1.00 0.00 H new ATOM 0 HG1 THR A 90 7.870 7.940 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.746 8.248 -9.428 1.00 0.00 H new ATOM 0 HG22 THR A 90 7.202 6.720 -10.218 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.646 6.716 -8.527 1.00 0.00 H new ATOM 1375 N GLU A 91 11.571 6.914 -7.879 1.00 0.00 N ATOM 1376 CA GLU A 91 12.681 7.149 -6.956 1.00 0.00 C ATOM 1377 C GLU A 91 12.181 7.696 -5.623 1.00 0.00 C ATOM 1378 O GLU A 91 12.520 7.177 -4.560 1.00 0.00 O ATOM 1379 CB GLU A 91 13.691 8.125 -7.566 1.00 0.00 C ATOM 1380 CG GLU A 91 13.967 7.881 -9.040 1.00 0.00 C ATOM 1381 CD GLU A 91 15.392 8.222 -9.430 1.00 0.00 C ATOM 1382 OE1 GLU A 91 16.325 7.736 -8.755 1.00 0.00 O ATOM 1383 OE2 GLU A 91 15.575 8.972 -10.411 1.00 0.00 O ATOM 0 H GLU A 91 11.738 7.248 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 91 13.171 6.192 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.321 9.142 -7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.628 8.055 -7.014 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.770 6.835 -9.274 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.278 8.477 -9.639 1.00 0.00 H new ATOM 1390 N GLU A 92 11.367 8.745 -5.691 1.00 0.00 N ATOM 1391 CA GLU A 92 10.813 9.358 -4.487 1.00 0.00 C ATOM 1392 C GLU A 92 10.080 8.317 -3.651 1.00 0.00 C ATOM 1393 O GLU A 92 10.267 8.235 -2.436 1.00 0.00 O ATOM 1394 CB GLU A 92 9.859 10.499 -4.851 1.00 0.00 C ATOM 1395 CG GLU A 92 10.347 11.358 -6.007 1.00 0.00 C ATOM 1396 CD GLU A 92 9.638 12.695 -6.078 1.00 0.00 C ATOM 1397 OE1 GLU A 92 9.911 13.559 -5.218 1.00 0.00 O ATOM 1398 OE2 GLU A 92 8.809 12.880 -6.995 1.00 0.00 O ATOM 0 H GLU A 92 11.077 9.187 -6.563 1.00 0.00 H new ATOM 0 HA GLU A 92 11.638 9.766 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.886 10.080 -5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.713 11.132 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.419 11.524 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.196 10.821 -6.943 1.00 0.00 H new ATOM 1405 N ASN A 93 9.254 7.518 -4.313 1.00 0.00 N ATOM 1406 CA ASN A 93 8.500 6.471 -3.638 1.00 0.00 C ATOM 1407 C ASN A 93 9.447 5.460 -3.013 1.00 0.00 C ATOM 1408 O ASN A 93 9.285 5.065 -1.859 1.00 0.00 O ATOM 1409 CB ASN A 93 7.570 5.768 -4.623 1.00 0.00 C ATOM 1410 CG ASN A 93 6.574 6.725 -5.251 1.00 0.00 C ATOM 1411 OD1 ASN A 93 6.956 7.724 -5.860 1.00 0.00 O ATOM 1412 ND2 ASN A 93 5.290 6.430 -5.101 1.00 0.00 N ATOM 0 H ASN A 93 9.089 7.575 -5.318 1.00 0.00 H new ATOM 0 HA ASN A 93 7.901 6.930 -2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 93 8.163 5.297 -5.407 1.00 0.00 H new ATOM 0 HB3 ASN A 93 7.032 4.972 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.577 7.041 -5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.016 5.592 -4.589 1.00 0.00 H new ATOM 1419 N ILE A 94 10.443 5.050 -3.789 1.00 0.00 N ATOM 1420 CA ILE A 94 11.432 4.088 -3.325 1.00 0.00 C ATOM 1421 C ILE A 94 12.106 4.579 -2.051 1.00 0.00 C ATOM 1422 O ILE A 94 12.478 3.787 -1.186 1.00 0.00 O ATOM 1423 CB ILE A 94 12.507 3.821 -4.400 1.00 0.00 C ATOM 1424 CG1 ILE A 94 11.877 3.529 -5.772 1.00 0.00 C ATOM 1425 CG2 ILE A 94 13.401 2.671 -3.974 1.00 0.00 C ATOM 1426 CD1 ILE A 94 10.460 2.991 -5.719 1.00 0.00 C ATOM 0 H ILE A 94 10.586 5.371 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 94 10.904 3.157 -3.120 1.00 0.00 H new ATOM 0 HB ILE A 94 13.110 4.724 -4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.881 4.446 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.504 2.810 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.155 2.493 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 94 13.892 2.921 -3.034 1.00 0.00 H new ATOM 0 HG23 ILE A 94 12.799 1.772 -3.841 1.00 0.00 H new ATOM 0 HD11 ILE A 94 10.099 2.815 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.447 2.054 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 94 9.814 3.716 -5.225 1.00 0.00 H new ATOM 1438 N ASP A 95 12.252 5.896 -1.939 1.00 0.00 N ATOM 1439 CA ASP A 95 12.870 6.494 -0.764 1.00 0.00 C ATOM 1440 C ASP A 95 11.926 6.424 0.430 1.00 0.00 C ATOM 1441 O ASP A 95 12.364 6.321 1.576 1.00 0.00 O ATOM 1442 CB ASP A 95 13.256 7.948 -1.044 1.00 0.00 C ATOM 1443 CG ASP A 95 14.141 8.530 0.041 1.00 0.00 C ATOM 1444 OD1 ASP A 95 15.377 8.391 -0.062 1.00 0.00 O ATOM 1445 OD2 ASP A 95 13.596 9.127 0.994 1.00 0.00 O ATOM 0 H ASP A 95 11.951 6.566 -2.646 1.00 0.00 H new ATOM 0 HA ASP A 95 13.773 5.931 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.774 8.006 -2.001 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.352 8.550 -1.134 1.00 0.00 H new ATOM 1450 N ARG A 96 10.625 6.474 0.154 1.00 0.00 N ATOM 1451 CA ARG A 96 9.622 6.409 1.210 1.00 0.00 C ATOM 1452 C ARG A 96 9.492 4.984 1.738 1.00 0.00 C ATOM 1453 O ARG A 96 9.185 4.775 2.912 1.00 0.00 O ATOM 1454 CB ARG A 96 8.270 6.921 0.701 1.00 0.00 C ATOM 1455 CG ARG A 96 7.841 8.224 1.359 1.00 0.00 C ATOM 1456 CD ARG A 96 8.063 9.418 0.443 1.00 0.00 C ATOM 1457 NE ARG A 96 6.835 9.826 -0.239 1.00 0.00 N ATOM 1458 CZ ARG A 96 6.807 10.415 -1.433 1.00 0.00 C ATOM 1459 NH1 ARG A 96 7.936 10.688 -2.076 1.00 0.00 N ATOM 1460 NH2 ARG A 96 5.645 10.740 -1.981 1.00 0.00 N ATOM 0 H ARG A 96 10.243 6.559 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 96 9.945 7.051 2.030 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.326 7.066 -0.378 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.509 6.162 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.787 8.165 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.400 8.366 2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.448 10.255 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.823 9.169 -0.298 1.00 0.00 H new ATOM 0 HE ARG A 96 5.946 9.649 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.833 10.446 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.906 11.139 -2.990 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.775 10.539 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.621 11.191 -2.895 1.00 0.00 H new ATOM 1474 N LEU A 97 9.747 4.006 0.872 1.00 0.00 N ATOM 1475 CA LEU A 97 9.677 2.606 1.268 1.00 0.00 C ATOM 1476 C LEU A 97 10.766 2.306 2.286 1.00 0.00 C ATOM 1477 O LEU A 97 10.539 1.603 3.270 1.00 0.00 O ATOM 1478 CB LEU A 97 9.831 1.690 0.051 1.00 0.00 C ATOM 1479 CG LEU A 97 8.543 1.406 -0.728 1.00 0.00 C ATOM 1480 CD1 LEU A 97 7.425 0.990 0.215 1.00 0.00 C ATOM 1481 CD2 LEU A 97 8.131 2.623 -1.541 1.00 0.00 C ATOM 0 H LEU A 97 10.003 4.158 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 97 8.701 2.419 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.555 2.138 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.251 0.741 0.384 1.00 0.00 H new ATOM 0 HG LEU A 97 8.734 0.582 -1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.519 0.793 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.718 0.087 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.235 1.791 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.214 2.402 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.961 3.467 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.923 2.874 -2.247 1.00 0.00 H new ATOM 1493 N CYS A 98 11.945 2.863 2.044 1.00 0.00 N ATOM 1494 CA CYS A 98 13.078 2.680 2.940 1.00 0.00 C ATOM 1495 C CYS A 98 12.911 3.533 4.192 1.00 0.00 C ATOM 1496 O CYS A 98 13.478 3.232 5.242 1.00 0.00 O ATOM 1497 CB CYS A 98 14.375 3.042 2.222 1.00 0.00 C ATOM 1498 SG CYS A 98 15.863 2.360 2.990 1.00 0.00 S ATOM 0 H CYS A 98 12.142 3.447 1.231 1.00 0.00 H new ATOM 0 HA CYS A 98 13.121 1.633 3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 98 14.317 2.690 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.465 4.128 2.183 1.00 0.00 H new ATOM 0 HG CYS A 98 16.908 2.721 2.307 1.00 0.00 H new ATOM 1504 N GLN A 99 12.122 4.596 4.074 1.00 0.00 N ATOM 1505 CA GLN A 99 11.871 5.489 5.194 1.00 0.00 C ATOM 1506 C GLN A 99 10.824 4.898 6.132 1.00 0.00 C ATOM 1507 O GLN A 99 10.980 4.938 7.351 1.00 0.00 O ATOM 1508 CB GLN A 99 11.410 6.859 4.690 1.00 0.00 C ATOM 1509 CG GLN A 99 12.537 7.870 4.559 1.00 0.00 C ATOM 1510 CD GLN A 99 13.135 8.254 5.899 1.00 0.00 C ATOM 1511 OE1 GLN A 99 14.163 7.525 6.319 1.00 0.00 O flip ATOM 1512 NE2 GLN A 99 12.677 9.192 6.550 1.00 0.00 N flip ATOM 0 H GLN A 99 11.646 4.858 3.211 1.00 0.00 H new ATOM 0 HA GLN A 99 12.802 5.611 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 99 10.928 6.737 3.720 1.00 0.00 H new ATOM 0 HB3 GLN A 99 10.657 7.253 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 99 13.319 7.457 3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.161 8.765 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.886 9.725 6.189 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.088 9.437 7.451 1.00 0.00 H new ATOM 1521 N ASP A 100 9.756 4.348 5.557 1.00 0.00 N ATOM 1522 CA ASP A 100 8.692 3.753 6.354 1.00 0.00 C ATOM 1523 C ASP A 100 9.083 2.361 6.841 1.00 0.00 C ATOM 1524 O ASP A 100 8.611 1.900 7.880 1.00 0.00 O ATOM 1525 CB ASP A 100 7.400 3.684 5.537 1.00 0.00 C ATOM 1526 CG ASP A 100 7.485 2.698 4.389 1.00 0.00 C ATOM 1527 OD1 ASP A 100 7.689 1.494 4.653 1.00 0.00 O ATOM 1528 OD2 ASP A 100 7.346 3.130 3.226 1.00 0.00 O ATOM 0 H ASP A 100 9.607 4.303 4.549 1.00 0.00 H new ATOM 0 HA ASP A 100 8.529 4.383 7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.576 3.402 6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 100 7.171 4.674 5.144 1.00 0.00 H new ATOM 1533 N LEU A 101 9.949 1.695 6.083 1.00 0.00 N ATOM 1534 CA LEU A 101 10.402 0.356 6.440 1.00 0.00 C ATOM 1535 C LEU A 101 11.388 0.404 7.602 1.00 0.00 C ATOM 1536 O LEU A 101 11.458 -0.525 8.407 1.00 0.00 O ATOM 1537 CB LEU A 101 11.051 -0.323 5.234 1.00 0.00 C ATOM 1538 CG LEU A 101 10.071 -0.913 4.218 1.00 0.00 C ATOM 1539 CD1 LEU A 101 10.797 -1.320 2.944 1.00 0.00 C ATOM 1540 CD2 LEU A 101 9.337 -2.101 4.820 1.00 0.00 C ATOM 0 H LEU A 101 10.350 2.060 5.219 1.00 0.00 H new ATOM 0 HA LEU A 101 9.532 -0.222 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 101 11.685 0.403 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 101 11.703 -1.120 5.592 1.00 0.00 H new ATOM 0 HG LEU A 101 9.338 -0.148 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.082 -1.737 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.277 -0.446 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 101 11.553 -2.069 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.643 -2.510 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.058 -2.868 5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.783 -1.778 5.701 1.00 0.00 H new ATOM 1552 N ARG A 102 12.147 1.491 7.688 1.00 0.00 N ATOM 1553 CA ARG A 102 13.125 1.655 8.755 1.00 0.00 C ATOM 1554 C ARG A 102 12.452 2.156 10.028 1.00 0.00 C ATOM 1555 O ARG A 102 12.765 1.704 11.130 1.00 0.00 O ATOM 1556 CB ARG A 102 14.223 2.631 8.327 1.00 0.00 C ATOM 1557 CG ARG A 102 15.419 1.955 7.676 1.00 0.00 C ATOM 1558 CD ARG A 102 16.639 2.862 7.679 1.00 0.00 C ATOM 1559 NE ARG A 102 16.523 3.939 6.699 1.00 0.00 N ATOM 1560 CZ ARG A 102 17.245 5.056 6.736 1.00 0.00 C ATOM 1561 NH1 ARG A 102 18.136 5.248 7.700 1.00 0.00 N ATOM 1562 NH2 ARG A 102 17.076 5.986 5.806 1.00 0.00 N ATOM 0 H ARG A 102 12.103 2.271 7.032 1.00 0.00 H new ATOM 0 HA ARG A 102 13.575 0.683 8.957 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.802 3.355 7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 102 14.562 3.189 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 102 15.650 1.031 8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 102 15.170 1.681 6.651 1.00 0.00 H new ATOM 0 HD2 ARG A 102 16.771 3.289 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 102 17.530 2.272 7.465 1.00 0.00 H new ATOM 0 HE ARG A 102 15.849 3.828 5.942 1.00 0.00 H new ATOM 0 HH11 ARG A 102 18.271 4.537 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 102 18.686 6.107 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 102 16.392 5.845 5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 102 17.630 6.842 5.835 1.00 0.00 H new ATOM 1576 N ASN A 103 11.522 3.091 9.866 1.00 0.00 N ATOM 1577 CA ASN A 103 10.796 3.657 10.997 1.00 0.00 C ATOM 1578 C ASN A 103 9.922 2.603 11.669 1.00 0.00 C ATOM 1579 O ASN A 103 9.564 2.735 12.839 1.00 0.00 O ATOM 1580 CB ASN A 103 9.926 4.827 10.536 1.00 0.00 C ATOM 1581 CG ASN A 103 10.735 5.949 9.920 1.00 0.00 C ATOM 1582 OD1 ASN A 103 11.899 6.154 10.265 1.00 0.00 O ATOM 1583 ND2 ASN A 103 10.121 6.683 9.000 1.00 0.00 N ATOM 0 H ASN A 103 11.253 3.474 8.960 1.00 0.00 H new ATOM 0 HA ASN A 103 11.529 4.014 11.721 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.197 4.468 9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.364 5.214 11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 103 10.615 7.453 8.548 1.00 0.00 H new ATOM 0 HD22 ASN A 103 9.155 6.477 8.745 1.00 0.00 H new ATOM 1590 N GLN A 104 9.574 1.559 10.921 1.00 0.00 N ATOM 1591 CA GLN A 104 8.733 0.491 11.448 1.00 0.00 C ATOM 1592 C GLN A 104 7.359 1.033 11.821 1.00 0.00 C ATOM 1593 O GLN A 104 6.730 0.566 12.771 1.00 0.00 O ATOM 1594 CB GLN A 104 9.391 -0.157 12.668 1.00 0.00 C ATOM 1595 CG GLN A 104 10.779 -0.711 12.390 1.00 0.00 C ATOM 1596 CD GLN A 104 10.769 -2.202 12.122 1.00 0.00 C ATOM 1597 OE1 GLN A 104 10.574 -2.577 10.863 1.00 0.00 O flip ATOM 1598 NE2 GLN A 104 10.937 -3.010 13.036 1.00 0.00 N flip ATOM 0 H GLN A 104 9.861 1.431 9.951 1.00 0.00 H new ATOM 0 HA GLN A 104 8.614 -0.266 10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 104 9.457 0.580 13.469 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.753 -0.964 13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.207 -0.194 11.531 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.426 -0.503 13.242 1.00 0.00 H new ATOM 0 HE21 GLN A 104 11.084 -2.678 13.989 1.00 0.00 H new ATOM 0 HE22 GLN A 104 10.930 -4.011 12.840 1.00 0.00 H new ATOM 1607 N LEU A 105 6.903 2.029 11.067 1.00 0.00 N ATOM 1608 CA LEU A 105 5.606 2.649 11.312 1.00 0.00 C ATOM 1609 C LEU A 105 4.489 1.611 11.321 1.00 0.00 C ATOM 1610 O LEU A 105 3.472 1.789 11.985 1.00 0.00 O ATOM 1611 CB LEU A 105 5.315 3.711 10.248 1.00 0.00 C ATOM 1612 CG LEU A 105 6.322 4.859 10.183 1.00 0.00 C ATOM 1613 CD1 LEU A 105 6.174 5.620 8.874 1.00 0.00 C ATOM 1614 CD2 LEU A 105 6.145 5.794 11.370 1.00 0.00 C ATOM 0 H LEU A 105 7.415 2.425 10.279 1.00 0.00 H new ATOM 0 HA LEU A 105 5.644 3.121 12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.278 3.225 9.273 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.325 4.127 10.434 1.00 0.00 H new ATOM 0 HG LEU A 105 7.327 4.440 10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.898 6.434 8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.352 4.944 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.166 6.028 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.871 6.605 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.137 6.208 11.360 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.301 5.240 12.296 1.00 0.00 H new ATOM 1626 N TYR A 106 4.676 0.531 10.571 1.00 0.00 N ATOM 1627 CA TYR A 106 3.667 -0.519 10.497 1.00 0.00 C ATOM 1628 C TYR A 106 4.307 -1.904 10.436 1.00 0.00 C ATOM 1629 O TYR A 106 5.344 -2.096 9.801 1.00 0.00 O ATOM 1630 CB TYR A 106 2.762 -0.280 9.287 1.00 0.00 C ATOM 1631 CG TYR A 106 2.273 1.150 9.193 1.00 0.00 C ATOM 1632 CD1 TYR A 106 3.124 2.163 8.775 1.00 0.00 C ATOM 1633 CD2 TYR A 106 0.969 1.491 9.536 1.00 0.00 C ATOM 1634 CE1 TYR A 106 2.695 3.473 8.701 1.00 0.00 C ATOM 1635 CE2 TYR A 106 0.532 2.802 9.462 1.00 0.00 C ATOM 1636 CZ TYR A 106 1.401 3.789 9.046 1.00 0.00 C ATOM 1637 OH TYR A 106 0.972 5.096 8.964 1.00 0.00 O ATOM 0 H TYR A 106 5.510 0.360 10.010 1.00 0.00 H new ATOM 0 HA TYR A 106 3.063 -0.483 11.404 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.305 -0.534 8.377 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.904 -0.950 9.343 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.141 1.922 8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.287 0.721 9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.373 4.247 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -0.484 3.051 9.729 1.00 0.00 H new ATOM 0 HH TYR A 106 1.121 5.544 9.823 1.00 0.00 H new ATOM 1647 N GLU A 107 3.685 -2.863 11.120 1.00 0.00 N ATOM 1648 CA GLU A 107 4.191 -4.234 11.171 1.00 0.00 C ATOM 1649 C GLU A 107 4.387 -4.820 9.776 1.00 0.00 C ATOM 1650 O GLU A 107 5.439 -5.383 9.474 1.00 0.00 O ATOM 1651 CB GLU A 107 3.230 -5.118 11.968 1.00 0.00 C ATOM 1652 CG GLU A 107 3.929 -6.161 12.824 1.00 0.00 C ATOM 1653 CD GLU A 107 4.009 -7.515 12.144 1.00 0.00 C ATOM 1654 OE1 GLU A 107 3.137 -7.805 11.297 1.00 0.00 O ATOM 1655 OE2 GLU A 107 4.941 -8.283 12.458 1.00 0.00 O ATOM 0 H GLU A 107 2.826 -2.715 11.649 1.00 0.00 H new ATOM 0 HA GLU A 107 5.163 -4.206 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.616 -4.486 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.555 -5.621 11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.936 -5.817 13.060 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.398 -6.264 13.770 1.00 0.00 H new ATOM 1662 N SER A 108 3.372 -4.689 8.931 1.00 0.00 N ATOM 1663 CA SER A 108 3.443 -5.212 7.571 1.00 0.00 C ATOM 1664 C SER A 108 3.564 -4.078 6.563 1.00 0.00 C ATOM 1665 O SER A 108 3.454 -2.907 6.920 1.00 0.00 O ATOM 1666 CB SER A 108 2.210 -6.067 7.263 1.00 0.00 C ATOM 1667 OG SER A 108 1.155 -5.280 6.736 1.00 0.00 O ATOM 0 H SER A 108 2.492 -4.227 9.162 1.00 0.00 H new ATOM 0 HA SER A 108 4.332 -5.838 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.475 -6.848 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.875 -6.566 8.172 1.00 0.00 H new ATOM 0 HG SER A 108 0.445 -5.867 6.400 1.00 0.00 H new ATOM 1673 N TYR A 109 3.801 -4.428 5.304 1.00 0.00 N ATOM 1674 CA TYR A 109 3.944 -3.426 4.255 1.00 0.00 C ATOM 1675 C TYR A 109 3.485 -3.959 2.899 1.00 0.00 C ATOM 1676 O TYR A 109 4.298 -4.167 1.996 1.00 0.00 O ATOM 1677 CB TYR A 109 5.399 -2.962 4.167 1.00 0.00 C ATOM 1678 CG TYR A 109 5.902 -2.292 5.425 1.00 0.00 C ATOM 1679 CD1 TYR A 109 6.481 -3.035 6.447 1.00 0.00 C ATOM 1680 CD2 TYR A 109 5.799 -0.916 5.590 1.00 0.00 C ATOM 1681 CE1 TYR A 109 6.943 -2.424 7.597 1.00 0.00 C ATOM 1682 CE2 TYR A 109 6.259 -0.299 6.739 1.00 0.00 C ATOM 1683 CZ TYR A 109 6.830 -1.058 7.738 1.00 0.00 C ATOM 1684 OH TYR A 109 7.290 -0.447 8.883 1.00 0.00 O ATOM 0 H TYR A 109 3.898 -5.392 4.986 1.00 0.00 H new ATOM 0 HA TYR A 109 3.307 -2.581 4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.032 -3.821 3.946 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.500 -2.269 3.332 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.571 -4.106 6.341 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.353 -0.319 4.809 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.391 -3.015 8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.171 0.771 6.853 1.00 0.00 H new ATOM 0 HH TYR A 109 7.764 0.377 8.646 1.00 0.00 H new ATOM 1694 N TYR A 110 2.178 -4.157 2.752 1.00 0.00 N ATOM 1695 CA TYR A 110 1.618 -4.638 1.493 1.00 0.00 C ATOM 1696 C TYR A 110 1.925 -3.635 0.385 1.00 0.00 C ATOM 1697 O TYR A 110 1.157 -2.708 0.148 1.00 0.00 O ATOM 1698 CB TYR A 110 0.104 -4.834 1.628 1.00 0.00 C ATOM 1699 CG TYR A 110 -0.511 -5.666 0.525 1.00 0.00 C ATOM 1700 CD1 TYR A 110 -0.441 -5.259 -0.801 1.00 0.00 C ATOM 1701 CD2 TYR A 110 -1.169 -6.855 0.813 1.00 0.00 C ATOM 1702 CE1 TYR A 110 -1.007 -6.015 -1.809 1.00 0.00 C ATOM 1703 CE2 TYR A 110 -1.738 -7.617 -0.190 1.00 0.00 C ATOM 1704 CZ TYR A 110 -1.654 -7.193 -1.498 1.00 0.00 C ATOM 1705 OH TYR A 110 -2.220 -7.947 -2.501 1.00 0.00 O ATOM 0 H TYR A 110 1.489 -3.993 3.486 1.00 0.00 H new ATOM 0 HA TYR A 110 2.068 -5.598 1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.106 -5.308 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.378 -3.857 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.064 -4.337 -1.048 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.237 -7.190 1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.943 -5.685 -2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.246 -8.540 0.050 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.635 -8.746 -2.115 1.00 0.00 H new ATOM 1715 N LEU A 111 3.063 -3.811 -0.273 1.00 0.00 N ATOM 1716 CA LEU A 111 3.475 -2.899 -1.332 1.00 0.00 C ATOM 1717 C LEU A 111 2.682 -3.127 -2.612 1.00 0.00 C ATOM 1718 O LEU A 111 2.332 -4.257 -2.950 1.00 0.00 O ATOM 1719 CB LEU A 111 4.976 -3.045 -1.602 1.00 0.00 C ATOM 1720 CG LEU A 111 5.882 -2.794 -0.393 1.00 0.00 C ATOM 1721 CD1 LEU A 111 7.341 -2.723 -0.818 1.00 0.00 C ATOM 1722 CD2 LEU A 111 5.481 -1.517 0.322 1.00 0.00 C ATOM 0 H LEU A 111 3.715 -4.574 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 111 3.269 -1.883 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 111 5.166 -4.051 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.255 -2.352 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 111 5.763 -3.630 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.966 -2.544 0.057 1.00 0.00 H new ATOM 0 HD12 LEU A 111 7.630 -3.665 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.473 -1.909 -1.531 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.137 -1.358 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.567 -0.674 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.450 -1.601 0.666 1.00 0.00 H new ATOM 1734 N ASN A 112 2.407 -2.036 -3.319 1.00 0.00 N ATOM 1735 CA ASN A 112 1.658 -2.088 -4.569 1.00 0.00 C ATOM 1736 C ASN A 112 2.075 -0.938 -5.479 1.00 0.00 C ATOM 1737 O ASN A 112 1.879 0.231 -5.145 1.00 0.00 O ATOM 1738 CB ASN A 112 0.154 -2.024 -4.293 1.00 0.00 C ATOM 1739 CG ASN A 112 -0.621 -3.069 -5.071 1.00 0.00 C ATOM 1740 OD1 ASN A 112 -0.258 -3.253 -6.335 1.00 0.00 O flip ATOM 1741 ND2 ASN A 112 -1.535 -3.702 -4.542 1.00 0.00 N flip ATOM 0 H ASN A 112 2.695 -1.097 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 112 1.880 -3.031 -5.069 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.023 -2.163 -3.227 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -0.218 -1.033 -4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.779 -3.527 -3.567 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -2.048 -4.402 -5.078 1.00 0.00 H new ATOM 1748 N PHE A 113 2.663 -1.273 -6.621 1.00 0.00 N ATOM 1749 CA PHE A 113 3.120 -0.261 -7.564 1.00 0.00 C ATOM 1750 C PHE A 113 2.117 -0.054 -8.698 1.00 0.00 C ATOM 1751 O PHE A 113 1.792 -0.989 -9.429 1.00 0.00 O ATOM 1752 CB PHE A 113 4.485 -0.654 -8.132 1.00 0.00 C ATOM 1753 CG PHE A 113 5.609 -0.497 -7.144 1.00 0.00 C ATOM 1754 CD1 PHE A 113 5.794 0.701 -6.470 1.00 0.00 C ATOM 1755 CD2 PHE A 113 6.480 -1.544 -6.890 1.00 0.00 C ATOM 1756 CE1 PHE A 113 6.826 0.851 -5.563 1.00 0.00 C ATOM 1757 CE2 PHE A 113 7.515 -1.400 -5.984 1.00 0.00 C ATOM 1758 CZ PHE A 113 7.688 -0.200 -5.318 1.00 0.00 C ATOM 0 H PHE A 113 2.834 -2.234 -6.915 1.00 0.00 H new ATOM 0 HA PHE A 113 3.210 0.682 -7.025 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.447 -1.691 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 113 4.695 -0.043 -9.010 1.00 0.00 H new ATOM 0 HD1 PHE A 113 5.123 1.527 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.349 -2.484 -7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 113 6.958 1.790 -5.046 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.188 -2.224 -5.797 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.494 -0.085 -4.609 1.00 0.00 H new ATOM 1768 N ILE A 114 1.636 1.182 -8.840 1.00 0.00 N ATOM 1769 CA ILE A 114 0.674 1.505 -9.897 1.00 0.00 C ATOM 1770 C ILE A 114 1.272 1.200 -11.267 1.00 0.00 C ATOM 1771 O ILE A 114 0.624 0.591 -12.117 1.00 0.00 O ATOM 1772 CB ILE A 114 0.195 2.989 -9.884 1.00 0.00 C ATOM 1773 CG1 ILE A 114 0.894 3.818 -8.795 1.00 0.00 C ATOM 1774 CG2 ILE A 114 -1.320 3.062 -9.722 1.00 0.00 C ATOM 1775 CD1 ILE A 114 0.345 3.600 -7.400 1.00 0.00 C ATOM 0 H ILE A 114 1.893 1.969 -8.244 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.197 0.881 -9.699 1.00 0.00 H new ATOM 0 HB ILE A 114 0.471 3.423 -10.845 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.957 3.577 -8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 114 0.807 4.875 -9.047 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -1.635 4.105 -9.715 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.800 2.543 -10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -1.609 2.590 -8.783 1.00 0.00 H new ATOM 0 HD11 ILE A 114 0.893 4.222 -6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -0.711 3.870 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.457 2.551 -7.125 1.00 0.00 H new ATOM 1787 N SER A 115 2.517 1.623 -11.471 1.00 0.00 N ATOM 1788 CA SER A 115 3.211 1.395 -12.733 1.00 0.00 C ATOM 1789 C SER A 115 4.210 0.248 -12.598 1.00 0.00 C ATOM 1790 O SER A 115 4.264 -0.421 -11.566 1.00 0.00 O ATOM 1791 CB SER A 115 3.931 2.669 -13.179 1.00 0.00 C ATOM 1792 OG SER A 115 3.004 3.692 -13.500 1.00 0.00 O ATOM 0 H SER A 115 3.066 2.127 -10.775 1.00 0.00 H new ATOM 0 HA SER A 115 2.472 1.124 -13.487 1.00 0.00 H new ATOM 0 HB2 SER A 115 4.596 3.012 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.555 2.453 -14.047 1.00 0.00 H new ATOM 0 HG SER A 115 3.489 4.496 -13.780 1.00 0.00 H new ATOM 1798 N ALA A 116 4.997 0.022 -13.645 1.00 0.00 N ATOM 1799 CA ALA A 116 5.988 -1.048 -13.638 1.00 0.00 C ATOM 1800 C ALA A 116 7.319 -0.572 -13.065 1.00 0.00 C ATOM 1801 O ALA A 116 7.850 0.462 -13.473 1.00 0.00 O ATOM 1802 CB ALA A 116 6.184 -1.595 -15.044 1.00 0.00 C ATOM 0 H ALA A 116 4.968 0.565 -14.508 1.00 0.00 H new ATOM 0 HA ALA A 116 5.614 -1.845 -12.995 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.926 -2.393 -15.024 1.00 0.00 H new ATOM 0 HB2 ALA A 116 5.238 -1.989 -15.416 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.528 -0.796 -15.701 1.00 0.00 H new ATOM 1808 N ILE A 117 7.860 -1.342 -12.126 1.00 0.00 N ATOM 1809 CA ILE A 117 9.136 -1.011 -11.502 1.00 0.00 C ATOM 1810 C ILE A 117 10.253 -1.882 -12.076 1.00 0.00 C ATOM 1811 O ILE A 117 9.991 -2.934 -12.661 1.00 0.00 O ATOM 1812 CB ILE A 117 9.075 -1.186 -9.969 1.00 0.00 C ATOM 1813 CG1 ILE A 117 10.434 -0.862 -9.334 1.00 0.00 C ATOM 1814 CG2 ILE A 117 8.631 -2.596 -9.614 1.00 0.00 C ATOM 1815 CD1 ILE A 117 10.383 -0.702 -7.830 1.00 0.00 C ATOM 0 H ILE A 117 7.433 -2.201 -11.780 1.00 0.00 H new ATOM 0 HA ILE A 117 9.347 0.036 -11.720 1.00 0.00 H new ATOM 0 HB ILE A 117 8.341 -0.487 -9.568 1.00 0.00 H new ATOM 0 HG12 ILE A 117 11.139 -1.656 -9.582 1.00 0.00 H new ATOM 0 HG13 ILE A 117 10.821 0.057 -9.775 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.593 -2.703 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 117 7.642 -2.782 -10.032 1.00 0.00 H new ATOM 0 HG23 ILE A 117 9.340 -3.315 -10.025 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.381 -0.474 -7.454 1.00 0.00 H new ATOM 0 HD12 ILE A 117 9.704 0.111 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 117 10.027 -1.628 -7.377 1.00 0.00 H new ATOM 1827 N SER A 118 11.495 -1.436 -11.916 1.00 0.00 N ATOM 1828 CA SER A 118 12.644 -2.175 -12.430 1.00 0.00 C ATOM 1829 C SER A 118 13.382 -2.900 -11.310 1.00 0.00 C ATOM 1830 O SER A 118 13.246 -2.555 -10.136 1.00 0.00 O ATOM 1831 CB SER A 118 13.599 -1.226 -13.157 1.00 0.00 C ATOM 1832 OG SER A 118 13.471 -1.351 -14.563 1.00 0.00 O ATOM 0 H SER A 118 11.732 -0.568 -11.435 1.00 0.00 H new ATOM 0 HA SER A 118 12.275 -2.923 -13.132 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.391 -0.198 -12.860 1.00 0.00 H new ATOM 0 HB3 SER A 118 14.626 -1.442 -12.862 1.00 0.00 H new ATOM 0 HG SER A 118 14.091 -0.733 -15.004 1.00 0.00 H new ATOM 1838 N ARG A 119 14.166 -3.908 -11.684 1.00 0.00 N ATOM 1839 CA ARG A 119 14.929 -4.689 -10.716 1.00 0.00 C ATOM 1840 C ARG A 119 15.771 -3.783 -9.822 1.00 0.00 C ATOM 1841 O ARG A 119 15.890 -4.018 -8.620 1.00 0.00 O ATOM 1842 CB ARG A 119 15.830 -5.693 -11.438 1.00 0.00 C ATOM 1843 CG ARG A 119 15.902 -7.049 -10.754 1.00 0.00 C ATOM 1844 CD ARG A 119 17.141 -7.823 -11.174 1.00 0.00 C ATOM 1845 NE ARG A 119 16.803 -9.085 -11.828 1.00 0.00 N ATOM 1846 CZ ARG A 119 17.651 -9.779 -12.583 1.00 0.00 C ATOM 1847 NH1 ARG A 119 18.887 -9.340 -12.781 1.00 0.00 N ATOM 1848 NH2 ARG A 119 17.262 -10.917 -13.142 1.00 0.00 N ATOM 0 H ARG A 119 14.289 -4.203 -12.653 1.00 0.00 H new ATOM 0 HA ARG A 119 14.222 -5.230 -10.087 1.00 0.00 H new ATOM 0 HB2 ARG A 119 15.466 -5.828 -12.456 1.00 0.00 H new ATOM 0 HB3 ARG A 119 16.836 -5.279 -11.511 1.00 0.00 H new ATOM 0 HG2 ARG A 119 15.907 -6.912 -9.673 1.00 0.00 H new ATOM 0 HG3 ARG A 119 15.011 -7.628 -10.998 1.00 0.00 H new ATOM 0 HD2 ARG A 119 17.738 -7.212 -11.851 1.00 0.00 H new ATOM 0 HD3 ARG A 119 17.758 -8.023 -10.298 1.00 0.00 H new ATOM 0 HE ARG A 119 15.862 -9.456 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 119 19.192 -8.466 -12.353 1.00 0.00 H new ATOM 0 HH12 ARG A 119 19.532 -9.877 -13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 119 16.313 -11.260 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 119 17.912 -11.449 -13.721 1.00 0.00 H new ATOM 1862 N SER A 120 16.351 -2.745 -10.417 1.00 0.00 N ATOM 1863 CA SER A 120 17.178 -1.805 -9.670 1.00 0.00 C ATOM 1864 C SER A 120 16.367 -1.135 -8.568 1.00 0.00 C ATOM 1865 O SER A 120 16.755 -1.147 -7.400 1.00 0.00 O ATOM 1866 CB SER A 120 17.759 -0.744 -10.609 1.00 0.00 C ATOM 1867 OG SER A 120 16.747 -0.162 -11.410 1.00 0.00 O ATOM 0 H SER A 120 16.264 -2.534 -11.411 1.00 0.00 H new ATOM 0 HA SER A 120 17.997 -2.360 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 120 18.255 0.031 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 120 18.518 -1.196 -11.248 1.00 0.00 H new ATOM 0 HG SER A 120 17.144 0.513 -11.999 1.00 0.00 H new ATOM 1873 N LYS A 121 15.231 -0.557 -8.946 1.00 0.00 N ATOM 1874 CA LYS A 121 14.358 0.110 -7.990 1.00 0.00 C ATOM 1875 C LYS A 121 13.745 -0.900 -7.028 1.00 0.00 C ATOM 1876 O LYS A 121 13.599 -0.629 -5.836 1.00 0.00 O ATOM 1877 CB LYS A 121 13.253 0.874 -8.722 1.00 0.00 C ATOM 1878 CG LYS A 121 13.758 2.083 -9.495 1.00 0.00 C ATOM 1879 CD LYS A 121 13.137 2.160 -10.881 1.00 0.00 C ATOM 1880 CE LYS A 121 11.799 2.879 -10.853 1.00 0.00 C ATOM 1881 NZ LYS A 121 11.347 3.266 -12.218 1.00 0.00 N ATOM 0 H LYS A 121 14.895 -0.538 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 121 14.956 0.818 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 121 12.750 0.196 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 121 12.508 1.202 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 121 13.527 2.993 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 121 14.843 2.031 -9.584 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.816 2.680 -11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 121 13.002 1.153 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 121 11.050 2.235 -10.392 1.00 0.00 H new ATOM 0 HE3 LYS A 121 11.879 3.770 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.431 3.754 -12.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.049 3.901 -12.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 11.246 2.413 -12.805 1.00 0.00 H new ATOM 1895 N LEU A 122 13.392 -2.071 -7.552 1.00 0.00 N ATOM 1896 CA LEU A 122 12.798 -3.124 -6.738 1.00 0.00 C ATOM 1897 C LEU A 122 13.743 -3.541 -5.619 1.00 0.00 C ATOM 1898 O LEU A 122 13.365 -3.563 -4.448 1.00 0.00 O ATOM 1899 CB LEU A 122 12.448 -4.330 -7.602 1.00 0.00 C ATOM 1900 CG LEU A 122 11.090 -4.241 -8.296 1.00 0.00 C ATOM 1901 CD1 LEU A 122 11.242 -4.412 -9.795 1.00 0.00 C ATOM 1902 CD2 LEU A 122 10.125 -5.270 -7.731 1.00 0.00 C ATOM 0 H LEU A 122 13.508 -2.313 -8.536 1.00 0.00 H new ATOM 0 HA LEU A 122 11.884 -2.732 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 122 13.221 -4.454 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 122 12.465 -5.224 -6.979 1.00 0.00 H new ATOM 0 HG LEU A 122 10.676 -3.251 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 122 10.263 -4.345 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 122 11.890 -3.628 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.683 -5.386 -10.007 1.00 0.00 H new ATOM 0 HD21 LEU A 122 9.165 -5.187 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 122 10.531 -6.270 -7.882 1.00 0.00 H new ATOM 0 HD23 LEU A 122 9.986 -5.092 -6.665 1.00 0.00 H new ATOM 1914 N GLU A 123 14.981 -3.863 -5.988 1.00 0.00 N ATOM 1915 CA GLU A 123 15.986 -4.268 -5.012 1.00 0.00 C ATOM 1916 C GLU A 123 16.112 -3.220 -3.914 1.00 0.00 C ATOM 1917 O GLU A 123 16.388 -3.542 -2.758 1.00 0.00 O ATOM 1918 CB GLU A 123 17.338 -4.478 -5.696 1.00 0.00 C ATOM 1919 CG GLU A 123 17.669 -5.938 -5.952 1.00 0.00 C ATOM 1920 CD GLU A 123 19.132 -6.154 -6.284 1.00 0.00 C ATOM 1921 OE1 GLU A 123 19.585 -5.649 -7.334 1.00 0.00 O ATOM 1922 OE2 GLU A 123 19.827 -6.830 -5.495 1.00 0.00 O ATOM 0 H GLU A 123 15.310 -3.851 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 123 15.671 -5.210 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU A 123 17.343 -3.941 -6.645 1.00 0.00 H new ATOM 0 HB3 GLU A 123 18.121 -4.040 -5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 123 17.409 -6.525 -5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.055 -6.307 -6.774 1.00 0.00 H new ATOM 1929 N ASP A 124 15.899 -1.963 -4.287 1.00 0.00 N ATOM 1930 CA ASP A 124 15.979 -0.858 -3.341 1.00 0.00 C ATOM 1931 C ASP A 124 14.902 -0.990 -2.269 1.00 0.00 C ATOM 1932 O ASP A 124 15.190 -0.915 -1.077 1.00 0.00 O ATOM 1933 CB ASP A 124 15.832 0.477 -4.069 1.00 0.00 C ATOM 1934 CG ASP A 124 16.305 1.648 -3.231 1.00 0.00 C ATOM 1935 OD1 ASP A 124 15.714 1.885 -2.156 1.00 0.00 O ATOM 1936 OD2 ASP A 124 17.265 2.328 -3.648 1.00 0.00 O ATOM 0 H ASP A 124 15.669 -1.684 -5.241 1.00 0.00 H new ATOM 0 HA ASP A 124 16.956 -0.891 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 124 16.401 0.445 -4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 124 14.787 0.627 -4.340 1.00 0.00 H new ATOM 1941 N ILE A 125 13.658 -1.191 -2.701 1.00 0.00 N ATOM 1942 CA ILE A 125 12.547 -1.339 -1.768 1.00 0.00 C ATOM 1943 C ILE A 125 12.679 -2.639 -0.980 1.00 0.00 C ATOM 1944 O ILE A 125 12.488 -2.660 0.238 1.00 0.00 O ATOM 1945 CB ILE A 125 11.183 -1.306 -2.486 1.00 0.00 C ATOM 1946 CG1 ILE A 125 10.944 0.068 -3.109 1.00 0.00 C ATOM 1947 CG2 ILE A 125 10.060 -1.640 -1.517 1.00 0.00 C ATOM 1948 CD1 ILE A 125 11.297 0.131 -4.574 1.00 0.00 C ATOM 0 H ILE A 125 13.397 -1.255 -3.685 1.00 0.00 H new ATOM 0 HA ILE A 125 12.589 -0.492 -1.083 1.00 0.00 H new ATOM 0 HB ILE A 125 11.195 -2.056 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 125 9.895 0.338 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 125 11.531 0.811 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.105 -1.612 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 125 10.218 -2.637 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 125 10.050 -0.911 -0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 125 11.103 1.135 -4.952 1.00 0.00 H new ATOM 0 HD12 ILE A 125 12.352 -0.108 -4.705 1.00 0.00 H new ATOM 0 HD13 ILE A 125 10.691 -0.588 -5.125 1.00 0.00 H new ATOM 1960 N ALA A 126 13.022 -3.722 -1.673 1.00 0.00 N ATOM 1961 CA ALA A 126 13.194 -5.010 -1.020 1.00 0.00 C ATOM 1962 C ALA A 126 14.243 -4.892 0.070 1.00 0.00 C ATOM 1963 O ALA A 126 14.088 -5.437 1.162 1.00 0.00 O ATOM 1964 CB ALA A 126 13.592 -6.078 -2.027 1.00 0.00 C ATOM 0 H ALA A 126 13.185 -3.731 -2.680 1.00 0.00 H new ATOM 0 HA ALA A 126 12.245 -5.307 -0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 126 13.715 -7.033 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 126 12.815 -6.170 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 126 14.532 -5.798 -2.503 1.00 0.00 H new ATOM 1970 N ASN A 127 15.304 -4.152 -0.234 1.00 0.00 N ATOM 1971 CA ASN A 127 16.377 -3.934 0.719 1.00 0.00 C ATOM 1972 C ASN A 127 15.983 -2.863 1.718 1.00 0.00 C ATOM 1973 O ASN A 127 16.412 -2.891 2.871 1.00 0.00 O ATOM 1974 CB ASN A 127 17.670 -3.542 0.001 1.00 0.00 C ATOM 1975 CG ASN A 127 18.456 -4.745 -0.478 1.00 0.00 C ATOM 1976 OD1 ASN A 127 19.253 -5.317 0.266 1.00 0.00 O ATOM 1977 ND2 ASN A 127 18.236 -5.137 -1.728 1.00 0.00 N ATOM 0 H ASN A 127 15.440 -3.694 -1.135 1.00 0.00 H new ATOM 0 HA ASN A 127 16.554 -4.866 1.255 1.00 0.00 H new ATOM 0 HB2 ASN A 127 17.430 -2.906 -0.851 1.00 0.00 H new ATOM 0 HB3 ASN A 127 18.291 -2.951 0.675 1.00 0.00 H new ATOM 0 HD21 ASN A 127 18.737 -5.941 -2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 127 17.566 -4.634 -2.310 1.00 0.00 H new ATOM 1984 N ALA A 128 15.142 -1.928 1.282 1.00 0.00 N ATOM 1985 CA ALA A 128 14.679 -0.870 2.163 1.00 0.00 C ATOM 1986 C ALA A 128 14.155 -1.472 3.463 1.00 0.00 C ATOM 1987 O ALA A 128 14.248 -0.866 4.530 1.00 0.00 O ATOM 1988 CB ALA A 128 13.594 -0.053 1.478 1.00 0.00 C ATOM 0 H ALA A 128 14.773 -1.885 0.332 1.00 0.00 H new ATOM 0 HA ALA A 128 15.513 -0.208 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.255 0.737 2.149 1.00 0.00 H new ATOM 0 HB2 ALA A 128 13.994 0.392 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.754 -0.701 1.227 1.00 0.00 H new ATOM 1994 N ALA A 129 13.609 -2.680 3.352 1.00 0.00 N ATOM 1995 CA ALA A 129 13.068 -3.393 4.500 1.00 0.00 C ATOM 1996 C ALA A 129 14.150 -4.200 5.203 1.00 0.00 C ATOM 1997 O ALA A 129 14.213 -4.229 6.428 1.00 0.00 O ATOM 1998 CB ALA A 129 11.925 -4.299 4.069 1.00 0.00 C ATOM 0 H ALA A 129 13.530 -3.187 2.470 1.00 0.00 H new ATOM 0 HA ALA A 129 12.685 -2.657 5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 129 11.531 -4.826 4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 129 11.134 -3.698 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 129 12.290 -5.023 3.341 1.00 0.00 H new ATOM 2004 N LEU A 130 15.000 -4.856 4.418 1.00 0.00 N ATOM 2005 CA LEU A 130 16.081 -5.671 4.962 1.00 0.00 C ATOM 2006 C LEU A 130 16.867 -4.909 6.025 1.00 0.00 C ATOM 2007 O LEU A 130 17.435 -5.508 6.939 1.00 0.00 O ATOM 2008 CB LEU A 130 17.009 -6.124 3.836 1.00 0.00 C ATOM 2009 CG LEU A 130 16.334 -6.968 2.752 1.00 0.00 C ATOM 2010 CD1 LEU A 130 17.252 -7.149 1.551 1.00 0.00 C ATOM 2011 CD2 LEU A 130 15.912 -8.316 3.316 1.00 0.00 C ATOM 0 H LEU A 130 14.960 -4.838 3.399 1.00 0.00 H new ATOM 0 HA LEU A 130 15.642 -6.548 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 130 17.449 -5.243 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 130 17.828 -6.699 4.268 1.00 0.00 H new ATOM 0 HG LEU A 130 15.442 -6.440 2.414 1.00 0.00 H new ATOM 0 HD11 LEU A 130 16.748 -7.752 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 130 17.499 -6.174 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 130 18.167 -7.651 1.865 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.434 -8.904 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 130 16.790 -8.847 3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 130 15.210 -8.164 4.136 1.00 0.00 H new ATOM 2023 N ALA A 131 16.887 -3.586 5.907 1.00 0.00 N ATOM 2024 CA ALA A 131 17.592 -2.748 6.868 1.00 0.00 C ATOM 2025 C ALA A 131 16.934 -2.833 8.241 1.00 0.00 C ATOM 2026 O ALA A 131 17.599 -2.715 9.271 1.00 0.00 O ATOM 2027 CB ALA A 131 17.630 -1.305 6.386 1.00 0.00 C ATOM 0 H ALA A 131 16.424 -3.072 5.157 1.00 0.00 H new ATOM 0 HA ALA A 131 18.615 -3.113 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 131 18.160 -0.692 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 131 18.145 -1.255 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 131 16.612 -0.933 6.271 1.00 0.00 H new ATOM 2033 N ALA A 132 15.622 -3.045 8.244 1.00 0.00 N ATOM 2034 CA ALA A 132 14.859 -3.154 9.482 1.00 0.00 C ATOM 2035 C ALA A 132 14.172 -4.516 9.593 1.00 0.00 C ATOM 2036 O ALA A 132 13.487 -4.797 10.577 1.00 0.00 O ATOM 2037 CB ALA A 132 13.829 -2.037 9.561 1.00 0.00 C ATOM 0 H ALA A 132 15.062 -3.145 7.397 1.00 0.00 H new ATOM 0 HA ALA A 132 15.554 -3.060 10.317 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.265 -2.127 10.489 1.00 0.00 H new ATOM 0 HB2 ALA A 132 14.336 -1.072 9.537 1.00 0.00 H new ATOM 0 HB3 ALA A 132 13.148 -2.110 8.713 1.00 0.00 H new ATOM 2043 N ASN A 133 14.355 -5.355 8.576 1.00 0.00 N ATOM 2044 CA ASN A 133 13.750 -6.682 8.551 1.00 0.00 C ATOM 2045 C ASN A 133 12.230 -6.588 8.648 1.00 0.00 C ATOM 2046 O ASN A 133 11.591 -7.383 9.337 1.00 0.00 O ATOM 2047 CB ASN A 133 14.299 -7.543 9.690 1.00 0.00 C ATOM 2048 CG ASN A 133 14.649 -8.947 9.236 1.00 0.00 C ATOM 2049 OD1 ASN A 133 13.846 -9.870 9.364 1.00 0.00 O ATOM 2050 ND2 ASN A 133 15.854 -9.114 8.705 1.00 0.00 N ATOM 0 H ASN A 133 14.920 -5.137 7.755 1.00 0.00 H new ATOM 0 HA ASN A 133 14.006 -7.152 7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 133 15.187 -7.067 10.106 1.00 0.00 H new ATOM 0 HB3 ASN A 133 13.561 -7.596 10.490 1.00 0.00 H new ATOM 0 HD21 ASN A 133 16.146 -10.037 8.384 1.00 0.00 H new ATOM 0 HD22 ASN A 133 16.488 -8.319 8.618 1.00 0.00 H new ATOM 2057 N ALA A 134 11.660 -5.612 7.951 1.00 0.00 N ATOM 2058 CA ALA A 134 10.216 -5.411 7.954 1.00 0.00 C ATOM 2059 C ALA A 134 9.544 -6.269 6.889 1.00 0.00 C ATOM 2060 O ALA A 134 9.948 -6.264 5.726 1.00 0.00 O ATOM 2061 CB ALA A 134 9.888 -3.941 7.735 1.00 0.00 C ATOM 0 H ALA A 134 12.177 -4.947 7.376 1.00 0.00 H new ATOM 0 HA ALA A 134 9.831 -5.716 8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 134 8.807 -3.805 7.739 1.00 0.00 H new ATOM 0 HB2 ALA A 134 10.332 -3.346 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 134 10.290 -3.618 6.775 1.00 0.00 H new ATOM 2067 N VAL A 135 8.515 -7.006 7.294 1.00 0.00 N ATOM 2068 CA VAL A 135 7.785 -7.870 6.376 1.00 0.00 C ATOM 2069 C VAL A 135 7.156 -7.062 5.245 1.00 0.00 C ATOM 2070 O VAL A 135 6.161 -6.364 5.446 1.00 0.00 O ATOM 2071 CB VAL A 135 6.684 -8.661 7.106 1.00 0.00 C ATOM 2072 CG1 VAL A 135 6.057 -9.690 6.176 1.00 0.00 C ATOM 2073 CG2 VAL A 135 7.245 -9.329 8.355 1.00 0.00 C ATOM 0 H VAL A 135 8.168 -7.022 8.253 1.00 0.00 H new ATOM 0 HA VAL A 135 8.507 -8.572 5.958 1.00 0.00 H new ATOM 0 HB VAL A 135 5.905 -7.964 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.281 -10.239 6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 135 5.617 -9.184 5.317 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.823 -10.386 5.834 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.453 -9.883 8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 135 8.045 -10.014 8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 135 7.639 -8.568 9.029 1.00 0.00 H new ATOM 2083 N THR A 136 7.746 -7.159 4.059 1.00 0.00 N ATOM 2084 CA THR A 136 7.248 -6.432 2.896 1.00 0.00 C ATOM 2085 C THR A 136 6.798 -7.390 1.798 1.00 0.00 C ATOM 2086 O THR A 136 7.175 -8.561 1.787 1.00 0.00 O ATOM 2087 CB THR A 136 8.332 -5.500 2.353 1.00 0.00 C ATOM 2088 OG1 THR A 136 9.622 -5.998 2.658 1.00 0.00 O ATOM 2089 CG2 THR A 136 8.241 -4.094 2.900 1.00 0.00 C ATOM 0 H THR A 136 8.569 -7.733 3.877 1.00 0.00 H new ATOM 0 HA THR A 136 6.387 -5.843 3.213 1.00 0.00 H new ATOM 0 HB THR A 136 8.168 -5.464 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 136 10.296 -5.481 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 136 9.039 -3.486 2.474 1.00 0.00 H new ATOM 0 HG22 THR A 136 7.275 -3.663 2.636 1.00 0.00 H new ATOM 0 HG23 THR A 136 8.343 -4.118 3.985 1.00 0.00 H new ATOM 2097 N GLN A 137 5.994 -6.878 0.873 1.00 0.00 N ATOM 2098 CA GLN A 137 5.494 -7.679 -0.238 1.00 0.00 C ATOM 2099 C GLN A 137 4.980 -6.783 -1.359 1.00 0.00 C ATOM 2100 O GLN A 137 4.039 -6.014 -1.168 1.00 0.00 O ATOM 2101 CB GLN A 137 4.381 -8.617 0.237 1.00 0.00 C ATOM 2102 CG GLN A 137 3.429 -7.980 1.237 1.00 0.00 C ATOM 2103 CD GLN A 137 3.624 -8.510 2.645 1.00 0.00 C ATOM 2104 OE1 GLN A 137 4.659 -8.280 3.270 1.00 0.00 O ATOM 2105 NE2 GLN A 137 2.625 -9.224 3.151 1.00 0.00 N ATOM 0 H GLN A 137 5.674 -5.910 0.871 1.00 0.00 H new ATOM 0 HA GLN A 137 6.319 -8.279 -0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 137 3.811 -8.957 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 137 4.831 -9.500 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 137 3.575 -6.900 1.236 1.00 0.00 H new ATOM 0 HG3 GLN A 137 2.401 -8.163 0.923 1.00 0.00 H new ATOM 0 HE21 GLN A 137 1.785 -9.390 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 137 2.698 -9.606 4.094 1.00 0.00 H new ATOM 2114 N VAL A 138 5.602 -6.887 -2.529 1.00 0.00 N ATOM 2115 CA VAL A 138 5.205 -6.084 -3.678 1.00 0.00 C ATOM 2116 C VAL A 138 4.115 -6.784 -4.481 1.00 0.00 C ATOM 2117 O VAL A 138 4.298 -7.902 -4.959 1.00 0.00 O ATOM 2118 CB VAL A 138 6.406 -5.770 -4.590 1.00 0.00 C ATOM 2119 CG1 VAL A 138 6.050 -4.676 -5.585 1.00 0.00 C ATOM 2120 CG2 VAL A 138 7.614 -5.364 -3.757 1.00 0.00 C ATOM 0 H VAL A 138 6.383 -7.519 -2.706 1.00 0.00 H new ATOM 0 HA VAL A 138 4.812 -5.143 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 138 6.660 -6.671 -5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 138 6.911 -4.468 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 138 5.214 -5.004 -6.203 1.00 0.00 H new ATOM 0 HG13 VAL A 138 5.770 -3.771 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 138 8.454 -5.146 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 138 7.371 -4.477 -3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 138 7.883 -6.179 -3.085 1.00 0.00 H new ATOM 2130 N ALA A 139 2.974 -6.116 -4.605 1.00 0.00 N ATOM 2131 CA ALA A 139 1.832 -6.663 -5.326 1.00 0.00 C ATOM 2132 C ALA A 139 1.930 -6.404 -6.827 1.00 0.00 C ATOM 2133 O ALA A 139 2.894 -5.805 -7.307 1.00 0.00 O ATOM 2134 CB ALA A 139 0.545 -6.077 -4.766 1.00 0.00 C ATOM 0 H ALA A 139 2.815 -5.188 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 139 1.830 -7.744 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -0.307 -6.488 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 139 0.460 -6.330 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 139 0.559 -4.993 -4.880 1.00 0.00 H new ATOM 2140 N LYS A 140 0.923 -6.870 -7.563 1.00 0.00 N ATOM 2141 CA LYS A 140 0.881 -6.705 -9.013 1.00 0.00 C ATOM 2142 C LYS A 140 0.669 -5.245 -9.404 1.00 0.00 C ATOM 2143 O LYS A 140 0.303 -4.412 -8.574 1.00 0.00 O ATOM 2144 CB LYS A 140 -0.229 -7.572 -9.611 1.00 0.00 C ATOM 2145 CG LYS A 140 0.285 -8.806 -10.334 1.00 0.00 C ATOM 2146 CD LYS A 140 -0.546 -9.116 -11.569 1.00 0.00 C ATOM 2147 CE LYS A 140 0.156 -10.112 -12.479 1.00 0.00 C ATOM 2148 NZ LYS A 140 0.010 -9.750 -13.916 1.00 0.00 N ATOM 0 H LYS A 140 0.121 -7.367 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 140 1.844 -7.024 -9.412 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -0.904 -7.883 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.813 -6.970 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.325 -8.653 -10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 140 0.265 -9.660 -9.657 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -1.513 -9.517 -11.266 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -0.741 -8.195 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.214 -10.156 -12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -0.254 -11.108 -12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 0.502 -10.453 -14.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -0.999 -9.733 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.424 -8.810 -14.081 1.00 0.00 H new ATOM 2162 N VAL A 141 0.906 -4.945 -10.677 1.00 0.00 N ATOM 2163 CA VAL A 141 0.750 -3.591 -11.197 1.00 0.00 C ATOM 2164 C VAL A 141 -0.442 -3.503 -12.148 1.00 0.00 C ATOM 2165 O VAL A 141 -0.673 -4.405 -12.955 1.00 0.00 O ATOM 2166 CB VAL A 141 2.032 -3.136 -11.928 1.00 0.00 C ATOM 2167 CG1 VAL A 141 1.871 -1.747 -12.526 1.00 0.00 C ATOM 2168 CG2 VAL A 141 3.217 -3.165 -10.978 1.00 0.00 C ATOM 0 H VAL A 141 1.209 -5.627 -11.372 1.00 0.00 H new ATOM 0 HA VAL A 141 0.570 -2.930 -10.349 1.00 0.00 H new ATOM 0 HB VAL A 141 2.213 -3.832 -12.747 1.00 0.00 H new ATOM 0 HG11 VAL A 141 2.793 -1.460 -13.032 1.00 0.00 H new ATOM 0 HG12 VAL A 141 1.050 -1.752 -13.243 1.00 0.00 H new ATOM 0 HG13 VAL A 141 1.655 -1.032 -11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 141 4.114 -2.842 -11.506 1.00 0.00 H new ATOM 0 HG22 VAL A 141 3.028 -2.494 -10.140 1.00 0.00 H new ATOM 0 HG23 VAL A 141 3.360 -4.179 -10.606 1.00 0.00 H new ATOM 2178 N PHE A 142 -1.197 -2.409 -12.050 1.00 0.00 N ATOM 2179 CA PHE A 142 -2.364 -2.205 -12.905 1.00 0.00 C ATOM 2180 C PHE A 142 -2.167 -0.999 -13.819 1.00 0.00 C ATOM 2181 O PHE A 142 -2.419 -1.068 -15.020 1.00 0.00 O ATOM 2182 CB PHE A 142 -3.640 -2.011 -12.075 1.00 0.00 C ATOM 2183 CG PHE A 142 -3.407 -1.587 -10.653 1.00 0.00 C ATOM 2184 CD1 PHE A 142 -2.733 -2.413 -9.771 1.00 0.00 C ATOM 2185 CD2 PHE A 142 -3.879 -0.367 -10.197 1.00 0.00 C ATOM 2186 CE1 PHE A 142 -2.529 -2.032 -8.461 1.00 0.00 C ATOM 2187 CE2 PHE A 142 -3.683 0.018 -8.886 1.00 0.00 C ATOM 2188 CZ PHE A 142 -3.006 -0.817 -8.016 1.00 0.00 C ATOM 0 H PHE A 142 -1.021 -1.653 -11.389 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.475 -3.102 -13.514 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -4.265 -1.264 -12.564 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -4.201 -2.945 -12.074 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -2.362 -3.368 -10.112 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -4.406 0.289 -10.874 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.996 -2.684 -7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -4.058 0.970 -8.540 1.00 0.00 H new ATOM 0 HZ PHE A 142 -2.851 -0.518 -6.990 1.00 0.00 H new ATOM 2198 N ASP A 143 -1.719 0.102 -13.227 1.00 0.00 N ATOM 2199 CA ASP A 143 -1.487 1.351 -13.955 1.00 0.00 C ATOM 2200 C ASP A 143 -0.427 1.207 -15.048 1.00 0.00 C ATOM 2201 O ASP A 143 -0.184 2.145 -15.807 1.00 0.00 O ATOM 2202 CB ASP A 143 -1.056 2.437 -12.972 1.00 0.00 C ATOM 2203 CG ASP A 143 -1.741 3.763 -13.227 1.00 0.00 C ATOM 2204 OD1 ASP A 143 -1.273 4.513 -14.110 1.00 0.00 O ATOM 2205 OD2 ASP A 143 -2.744 4.054 -12.541 1.00 0.00 O ATOM 0 H ASP A 143 -1.506 0.158 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 143 -2.423 1.621 -14.444 1.00 0.00 H new ATOM 0 HB2 ASP A 143 -1.275 2.109 -11.956 1.00 0.00 H new ATOM 0 HB3 ASP A 143 0.024 2.572 -13.037 1.00 0.00 H new ATOM 2210 N GLN A 144 0.215 0.050 -15.114 1.00 0.00 N ATOM 2211 CA GLN A 144 1.258 -0.187 -16.099 1.00 0.00 C ATOM 2212 C GLN A 144 0.769 0.035 -17.532 1.00 0.00 C ATOM 2213 O GLN A 144 1.574 0.297 -18.426 1.00 0.00 O ATOM 2214 CB GLN A 144 1.795 -1.608 -15.941 1.00 0.00 C ATOM 2215 CG GLN A 144 3.308 -1.695 -16.005 1.00 0.00 C ATOM 2216 CD GLN A 144 3.794 -3.040 -16.508 1.00 0.00 C ATOM 2217 OE1 GLN A 144 4.065 -3.211 -17.696 1.00 0.00 O ATOM 2218 NE2 GLN A 144 3.907 -4.005 -15.601 1.00 0.00 N ATOM 0 H GLN A 144 0.031 -0.740 -14.496 1.00 0.00 H new ATOM 0 HA GLN A 144 2.054 0.536 -15.918 1.00 0.00 H new ATOM 0 HB2 GLN A 144 1.456 -2.012 -14.987 1.00 0.00 H new ATOM 0 HB3 GLN A 144 1.370 -2.237 -16.723 1.00 0.00 H new ATOM 0 HG2 GLN A 144 3.686 -0.909 -16.658 1.00 0.00 H new ATOM 0 HG3 GLN A 144 3.721 -1.511 -15.013 1.00 0.00 H new ATOM 0 HE21 GLN A 144 3.671 -3.819 -14.626 1.00 0.00 H new ATOM 0 HE22 GLN A 144 4.229 -4.932 -15.880 1.00 0.00 H new ATOM 2227 N TYR A 145 -0.541 -0.074 -17.762 1.00 0.00 N ATOM 2228 CA TYR A 145 -1.083 0.117 -19.102 1.00 0.00 C ATOM 2229 C TYR A 145 -2.020 1.327 -19.160 1.00 0.00 C ATOM 2230 O TYR A 145 -2.172 1.946 -20.212 1.00 0.00 O ATOM 2231 CB TYR A 145 -1.807 -1.161 -19.557 1.00 0.00 C ATOM 2232 CG TYR A 145 -2.942 -0.926 -20.530 1.00 0.00 C ATOM 2233 CD1 TYR A 145 -4.096 -0.281 -20.119 1.00 0.00 C ATOM 2234 CD2 TYR A 145 -2.857 -1.346 -21.850 1.00 0.00 C ATOM 2235 CE1 TYR A 145 -5.141 -0.058 -20.994 1.00 0.00 C ATOM 2236 CE2 TYR A 145 -3.896 -1.127 -22.735 1.00 0.00 C ATOM 2237 CZ TYR A 145 -5.037 -0.483 -22.302 1.00 0.00 C ATOM 2238 OH TYR A 145 -6.075 -0.263 -23.178 1.00 0.00 O ATOM 0 H TYR A 145 -1.235 -0.291 -17.047 1.00 0.00 H new ATOM 0 HA TYR A 145 -0.256 0.317 -19.783 1.00 0.00 H new ATOM 0 HB2 TYR A 145 -1.081 -1.830 -20.020 1.00 0.00 H new ATOM 0 HB3 TYR A 145 -2.198 -1.674 -18.679 1.00 0.00 H new ATOM 0 HD1 TYR A 145 -4.181 0.054 -19.096 1.00 0.00 H new ATOM 0 HD2 TYR A 145 -1.966 -1.852 -22.191 1.00 0.00 H new ATOM 0 HE1 TYR A 145 -6.034 0.446 -20.656 1.00 0.00 H new ATOM 0 HE2 TYR A 145 -3.815 -1.458 -23.760 1.00 0.00 H new ATOM 0 HH TYR A 145 -5.841 -0.623 -24.059 1.00 0.00 H new ATOM 2248 N LEU A 146 -2.655 1.655 -18.036 1.00 0.00 N ATOM 2249 CA LEU A 146 -3.582 2.786 -17.997 1.00 0.00 C ATOM 2250 C LEU A 146 -3.171 3.825 -16.956 1.00 0.00 C ATOM 2251 O LEU A 146 -2.186 3.648 -16.240 1.00 0.00 O ATOM 2252 CB LEU A 146 -5.029 2.313 -17.751 1.00 0.00 C ATOM 2253 CG LEU A 146 -5.306 1.558 -16.438 1.00 0.00 C ATOM 2254 CD1 LEU A 146 -4.483 0.288 -16.344 1.00 0.00 C ATOM 2255 CD2 LEU A 146 -5.048 2.443 -15.230 1.00 0.00 C ATOM 0 H LEU A 146 -2.547 1.161 -17.150 1.00 0.00 H new ATOM 0 HA LEU A 146 -3.539 3.266 -18.975 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.680 3.186 -17.783 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.320 1.668 -18.580 1.00 0.00 H new ATOM 0 HG LEU A 146 -6.360 1.280 -16.443 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -4.703 -0.220 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -4.730 -0.368 -17.178 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -3.423 0.538 -16.381 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -5.252 1.882 -14.318 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.007 2.767 -15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -5.699 3.316 -15.273 1.00 0.00 H new ATOM 2267 N ASN A 147 -3.941 4.910 -16.885 1.00 0.00 N ATOM 2268 CA ASN A 147 -3.680 5.993 -15.946 1.00 0.00 C ATOM 2269 C ASN A 147 -2.270 6.553 -16.123 1.00 0.00 C ATOM 2270 O ASN A 147 -1.465 5.920 -16.836 1.00 0.00 O ATOM 2271 CB ASN A 147 -3.881 5.507 -14.513 1.00 0.00 C ATOM 2272 CG ASN A 147 -5.144 6.062 -13.885 1.00 0.00 C ATOM 2273 OD1 ASN A 147 -5.008 6.647 -12.700 1.00 0.00 O flip ATOM 2274 ND2 ASN A 147 -6.230 5.966 -14.457 1.00 0.00 N flip ATOM 2275 OXT ASN A 147 -1.986 7.627 -15.551 1.00 0.00 O ATOM 0 H ASN A 147 -4.759 5.060 -17.475 1.00 0.00 H new ATOM 0 HA ASN A 147 -4.388 6.796 -16.152 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -3.923 4.418 -14.504 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -3.021 5.798 -13.910 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -6.289 5.509 -15.367 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -7.071 6.344 -14.021 1.00 0.00 H new