USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1139 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 25 GLN : amide:sc= -7.53! C(o=-12!,f=-18!) USER MOD Set 1.2: A 153 ASN :FLIP amide:sc= -4.1! C(o=-12!,f=-12!) USER MOD Set 2.1: A 149 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 155 THR OG1 : rot -57:sc= -0.151 USER MOD Set 3.1: A 124 HIS :FLIP no HD1:sc= -5.32! C(o=-8.5!,f=-5.3!) USER MOD Set 3.2: A 125 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 4.1: A 86 SER OG : rot -40:sc= -0.924! USER MOD Set 4.2: A 89 SER OG : rot 160:sc= -0.35 USER MOD Set 4.3: A 92 SER OG : rot -57:sc= 0.471 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 156:sc= -0.231 (180deg=-0.996) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -160:sc= -0.0987 USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= -6.23! (180deg=-7.73!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0131 USER MOD Single : A 21 SER OG : rot -14:sc= -0.911 USER MOD Single : A 23 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 30 GLN :FLIP amide:sc=-0.00345 F(o=-2.4,f=-0.0034) USER MOD Single : A 41 ASN : amide:sc= -2.46! C(o=-2.5!,f=-3.1!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -0.182 (180deg=-1.31!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -3.3! C(o=-3.9!,f=-3.3!) USER MOD Single : A 52 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.2) USER MOD Single : A 54 TYR OH : rot 66:sc= -1.91! USER MOD Single : A 55 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-11!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.291 F(o=-0.89,f=-0.29) USER MOD Single : A 81 TYR OH : rot 150:sc= 0 USER MOD Single : A 85 TYR OH : rot 15:sc= 0 USER MOD Single : A 88 THR OG1 : rot -38:sc= 0.793 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0408 (180deg=-0.401) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS :FLIP no HD1:sc= -2.67! C(o=-3.2!,f=-2.7!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -1.02 K(o=-1,f=-4.4!) USER MOD Single : A 115 MET CE :methyl 178:sc= -1.18 (180deg=-1.21) USER MOD Single : A 119 ASN : amide:sc= -1.52! C(o=-1.5!,f=-4.8!) USER MOD Single : A 120 LYS NZ :NH3+ -155:sc= 0.0816 (180deg=-2.33) USER MOD Single : A 121 LYS NZ :NH3+ -155:sc= -0.0182 (180deg=-0.23) USER MOD Single : A 130 SER OG : rot 72:sc= 0.587 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot -79:sc= -1.61 USER MOD Single : A 142 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.13) USER MOD Single : A 148 SER OG : rot 140:sc= -1.56! USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 169 LYS NZ :NH3+ 177:sc= -1.28 (180deg=-1.31) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 6 -13.671 -4.321 -5.990 1.00 0.00 N ATOM 2 CA SER A 6 -12.610 -3.965 -6.916 1.00 0.00 C ATOM 3 C SER A 6 -11.968 -2.642 -6.515 1.00 0.00 C ATOM 4 O SER A 6 -12.577 -1.579 -6.625 1.00 0.00 O ATOM 5 CB SER A 6 -13.169 -3.841 -8.321 1.00 0.00 C ATOM 6 OG SER A 6 -12.400 -4.641 -9.209 1.00 0.00 O ATOM 0 HA SER A 6 -11.855 -4.750 -6.888 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.212 -4.159 -8.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.148 -2.799 -8.642 1.00 0.00 H new ATOM 0 HG SER A 6 -12.762 -4.563 -10.116 1.00 0.00 H new ATOM 12 N ARG A 7 -10.735 -2.730 -6.052 1.00 0.00 N ATOM 13 CA ARG A 7 -9.978 -1.555 -5.625 1.00 0.00 C ATOM 14 C ARG A 7 -8.533 -1.686 -6.085 1.00 0.00 C ATOM 15 O ARG A 7 -7.944 -2.757 -5.954 1.00 0.00 O ATOM 16 CB ARG A 7 -10.025 -1.414 -4.099 1.00 0.00 C ATOM 17 CG ARG A 7 -11.092 -2.349 -3.524 1.00 0.00 C ATOM 18 CD ARG A 7 -11.182 -2.153 -2.009 1.00 0.00 C ATOM 19 NE ARG A 7 -12.519 -1.700 -1.641 1.00 0.00 N ATOM 20 CZ ARG A 7 -13.034 -1.961 -0.443 1.00 0.00 C ATOM 21 NH1 ARG A 7 -12.338 -2.627 0.439 1.00 0.00 N ATOM 22 NH2 ARG A 7 -14.236 -1.550 -0.146 1.00 0.00 N ATOM 0 H ARG A 7 -10.227 -3.610 -5.959 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.424 -0.666 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.051 -1.653 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -10.248 -0.382 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -12.058 -2.143 -3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.844 -3.385 -3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.953 -3.089 -1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.440 -1.424 -1.684 1.00 0.00 H new ATOM 0 HE ARG A 7 -13.071 -1.172 -2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.397 -2.948 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.735 -2.826 1.357 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -14.781 -1.028 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.631 -1.750 0.773 1.00 0.00 H new ATOM 36 N LYS A 8 -7.948 -0.614 -6.621 1.00 0.00 N ATOM 37 CA LYS A 8 -6.580 -0.690 -7.071 1.00 0.00 C ATOM 38 C LYS A 8 -5.706 0.052 -6.084 1.00 0.00 C ATOM 39 O LYS A 8 -6.008 1.174 -5.721 1.00 0.00 O ATOM 40 CB LYS A 8 -6.454 -0.096 -8.474 1.00 0.00 C ATOM 41 CG LYS A 8 -7.784 -0.255 -9.214 1.00 0.00 C ATOM 42 CD LYS A 8 -7.611 0.169 -10.673 1.00 0.00 C ATOM 43 CE LYS A 8 -8.933 -0.022 -11.419 1.00 0.00 C ATOM 44 NZ LYS A 8 -10.040 0.581 -10.626 1.00 0.00 N ATOM 0 H LYS A 8 -8.397 0.293 -6.747 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.258 -1.730 -7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.183 0.958 -8.412 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.657 -0.598 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.119 -1.291 -9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.553 0.353 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.299 1.212 -10.725 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.826 -0.423 -11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.879 0.445 -12.402 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.122 -1.083 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.829 0.823 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.366 -0.100 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.699 1.442 -10.153 1.00 0.00 H new ATOM 58 N ILE A 9 -4.656 -0.590 -5.614 1.00 0.00 N ATOM 59 CA ILE A 9 -3.794 0.026 -4.638 1.00 0.00 C ATOM 60 C ILE A 9 -2.495 0.530 -5.303 1.00 0.00 C ATOM 61 O ILE A 9 -1.780 -0.216 -5.942 1.00 0.00 O ATOM 62 CB ILE A 9 -3.523 -0.982 -3.502 1.00 0.00 C ATOM 63 CG1 ILE A 9 -4.664 -2.051 -3.375 1.00 0.00 C ATOM 64 CG2 ILE A 9 -3.409 -0.223 -2.200 1.00 0.00 C ATOM 65 CD1 ILE A 9 -5.990 -1.460 -2.899 1.00 0.00 C ATOM 0 H ILE A 9 -4.384 -1.533 -5.893 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.280 0.901 -4.207 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.599 -1.512 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.813 -2.531 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.349 -2.829 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.217 -0.923 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.588 0.491 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.340 0.311 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.737 -2.250 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.854 -1.005 -1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.326 -0.702 -3.607 1.00 0.00 H new ATOM 77 N ALA A 10 -2.201 1.822 -5.172 1.00 0.00 N ATOM 78 CA ALA A 10 -1.003 2.384 -5.814 1.00 0.00 C ATOM 79 C ALA A 10 0.232 2.183 -4.945 1.00 0.00 C ATOM 80 O ALA A 10 0.207 2.467 -3.754 1.00 0.00 O ATOM 81 CB ALA A 10 -1.175 3.875 -6.011 1.00 0.00 C ATOM 0 H ALA A 10 -2.758 2.491 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.875 1.872 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.284 4.284 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.042 4.061 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.323 4.355 -5.044 1.00 0.00 H new ATOM 87 N ILE A 11 1.304 1.706 -5.571 1.00 0.00 N ATOM 88 CA ILE A 11 2.566 1.426 -4.873 1.00 0.00 C ATOM 89 C ILE A 11 3.549 2.569 -4.964 1.00 0.00 C ATOM 90 O ILE A 11 3.778 3.148 -6.027 1.00 0.00 O ATOM 91 CB ILE A 11 3.227 0.174 -5.460 1.00 0.00 C ATOM 92 CG1 ILE A 11 2.186 -0.930 -5.705 1.00 0.00 C ATOM 93 CG2 ILE A 11 4.286 -0.347 -4.486 1.00 0.00 C ATOM 94 CD1 ILE A 11 2.828 -2.061 -6.513 1.00 0.00 C ATOM 0 H ILE A 11 1.328 1.502 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 11 2.311 1.277 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 11 3.688 0.441 -6.411 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.814 -1.312 -4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.329 -0.525 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.757 -1.238 -4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.042 0.422 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 11 3.815 -0.597 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.092 -2.846 -6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 11 3.178 -1.672 -7.469 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.671 -2.472 -5.958 1.00 0.00 H new ATOM 106 N LEU A 12 4.119 2.879 -3.809 1.00 0.00 N ATOM 107 CA LEU A 12 5.084 3.952 -3.694 1.00 0.00 C ATOM 108 C LEU A 12 6.330 3.469 -2.955 1.00 0.00 C ATOM 109 O LEU A 12 6.325 3.353 -1.731 1.00 0.00 O ATOM 110 CB LEU A 12 4.441 5.090 -2.920 1.00 0.00 C ATOM 111 CG LEU A 12 4.148 6.254 -3.867 1.00 0.00 C ATOM 112 CD1 LEU A 12 3.175 5.788 -4.952 1.00 0.00 C ATOM 113 CD2 LEU A 12 3.519 7.406 -3.079 1.00 0.00 C ATOM 0 H LEU A 12 3.924 2.395 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 12 5.382 4.287 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.518 4.748 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.103 5.418 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 12 5.075 6.594 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.963 6.615 -5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.620 4.965 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.247 5.452 -4.489 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.310 8.236 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.590 7.068 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.209 7.735 -2.302 1.00 0.00 H new ATOM 125 N GLY A 13 7.391 3.180 -3.701 1.00 0.00 N ATOM 126 CA GLY A 13 8.625 2.701 -3.093 1.00 0.00 C ATOM 127 C GLY A 13 9.850 3.303 -3.769 1.00 0.00 C ATOM 128 O GLY A 13 9.939 3.344 -4.995 1.00 0.00 O ATOM 0 H GLY A 13 7.421 3.268 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 13 8.632 2.954 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.668 1.614 -3.161 1.00 0.00 H new ATOM 132 N TYR A 14 10.796 3.760 -2.958 1.00 0.00 N ATOM 133 CA TYR A 14 12.023 4.348 -3.479 1.00 0.00 C ATOM 134 C TYR A 14 12.733 3.377 -4.407 1.00 0.00 C ATOM 135 O TYR A 14 12.125 2.464 -4.962 1.00 0.00 O ATOM 136 CB TYR A 14 12.952 4.719 -2.320 1.00 0.00 C ATOM 137 CG TYR A 14 13.578 6.063 -2.597 1.00 0.00 C ATOM 138 CD1 TYR A 14 12.770 7.202 -2.661 1.00 0.00 C ATOM 139 CD2 TYR A 14 14.959 6.170 -2.797 1.00 0.00 C ATOM 140 CE1 TYR A 14 13.343 8.452 -2.927 1.00 0.00 C ATOM 141 CE2 TYR A 14 15.533 7.419 -3.060 1.00 0.00 C ATOM 142 CZ TYR A 14 14.724 8.561 -3.126 1.00 0.00 C ATOM 143 OH TYR A 14 15.289 9.792 -3.388 1.00 0.00 O ATOM 0 H TYR A 14 10.737 3.735 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 14 11.763 5.244 -4.043 1.00 0.00 H new ATOM 0 HB2 TYR A 14 12.392 4.751 -1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 14 13.726 3.961 -2.202 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.705 7.118 -2.505 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.582 5.289 -2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 14 12.719 9.332 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 14 16.599 7.503 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 14 16.257 9.690 -3.499 1.00 0.00 H new ATOM 153 N ARG A 15 14.021 3.598 -4.574 1.00 0.00 N ATOM 154 CA ARG A 15 14.829 2.746 -5.437 1.00 0.00 C ATOM 155 C ARG A 15 15.592 1.714 -4.607 1.00 0.00 C ATOM 156 O ARG A 15 16.205 2.048 -3.593 1.00 0.00 O ATOM 157 CB ARG A 15 15.818 3.596 -6.235 1.00 0.00 C ATOM 158 CG ARG A 15 16.220 2.853 -7.511 1.00 0.00 C ATOM 159 CD ARG A 15 17.664 3.204 -7.874 1.00 0.00 C ATOM 160 NE ARG A 15 18.569 2.786 -6.809 1.00 0.00 N ATOM 161 CZ ARG A 15 19.871 2.644 -7.030 1.00 0.00 C ATOM 162 NH1 ARG A 15 20.360 2.876 -8.219 1.00 0.00 N ATOM 163 NH2 ARG A 15 20.661 2.272 -6.061 1.00 0.00 N ATOM 0 H ARG A 15 14.534 4.358 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 15 14.165 2.224 -6.125 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.367 4.556 -6.488 1.00 0.00 H new ATOM 0 HB3 ARG A 15 16.701 3.807 -5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 15 16.122 1.777 -7.364 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.552 3.125 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 15 17.940 2.715 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 15 17.755 4.278 -8.037 1.00 0.00 H new ATOM 0 HE ARG A 15 18.195 2.600 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 15 19.742 3.166 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 15 21.360 2.767 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 15 20.279 2.090 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 15 21.661 2.163 -6.231 1.00 0.00 H new ATOM 177 N SER A 16 15.556 0.464 -5.058 1.00 0.00 N ATOM 178 CA SER A 16 16.248 -0.618 -4.380 1.00 0.00 C ATOM 179 C SER A 16 15.678 -0.867 -2.984 1.00 0.00 C ATOM 180 O SER A 16 16.328 -1.483 -2.137 1.00 0.00 O ATOM 181 CB SER A 16 17.724 -0.291 -4.288 1.00 0.00 C ATOM 182 OG SER A 16 18.160 0.279 -5.515 1.00 0.00 O ATOM 0 H SER A 16 15.050 0.178 -5.896 1.00 0.00 H new ATOM 0 HA SER A 16 16.105 -1.530 -4.960 1.00 0.00 H new ATOM 0 HB2 SER A 16 17.903 0.404 -3.468 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.295 -1.194 -4.071 1.00 0.00 H new ATOM 0 HG SER A 16 19.134 0.199 -5.585 1.00 0.00 H new ATOM 188 N VAL A 17 14.460 -0.394 -2.750 1.00 0.00 N ATOM 189 CA VAL A 17 13.817 -0.581 -1.456 1.00 0.00 C ATOM 190 C VAL A 17 13.098 -1.927 -1.404 1.00 0.00 C ATOM 191 O VAL A 17 12.758 -2.420 -0.328 1.00 0.00 O ATOM 192 CB VAL A 17 12.820 0.549 -1.204 1.00 0.00 C ATOM 193 CG1 VAL A 17 11.849 0.634 -2.381 1.00 0.00 C ATOM 194 CG2 VAL A 17 12.045 0.270 0.085 1.00 0.00 C ATOM 0 H VAL A 17 13.902 0.118 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 17 14.584 -0.566 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 17 13.354 1.494 -1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.135 1.439 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.404 0.834 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.314 -0.310 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.334 1.077 0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.507 -0.673 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.741 0.207 0.922 1.00 0.00 H new ATOM 204 N GLY A 18 12.868 -2.519 -2.573 1.00 0.00 N ATOM 205 CA GLY A 18 12.192 -3.809 -2.642 1.00 0.00 C ATOM 206 C GLY A 18 10.737 -3.647 -3.057 1.00 0.00 C ATOM 207 O GLY A 18 9.885 -4.464 -2.708 1.00 0.00 O ATOM 0 H GLY A 18 13.137 -2.130 -3.477 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.706 -4.454 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.243 -4.302 -1.671 1.00 0.00 H new ATOM 211 N LYS A 19 10.465 -2.592 -3.808 1.00 0.00 N ATOM 212 CA LYS A 19 9.115 -2.322 -4.278 1.00 0.00 C ATOM 213 C LYS A 19 8.619 -3.465 -5.159 1.00 0.00 C ATOM 214 O LYS A 19 7.520 -3.990 -4.964 1.00 0.00 O ATOM 215 CB LYS A 19 9.116 -1.022 -5.078 1.00 0.00 C ATOM 216 CG LYS A 19 7.721 -0.753 -5.641 1.00 0.00 C ATOM 217 CD LYS A 19 7.632 0.701 -6.118 1.00 0.00 C ATOM 218 CE LYS A 19 8.817 1.021 -7.034 1.00 0.00 C ATOM 219 NZ LYS A 19 10.039 1.254 -6.211 1.00 0.00 N ATOM 0 H LYS A 19 11.161 -1.908 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 19 8.449 -2.231 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.426 -0.194 -4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.839 -1.086 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.515 -1.431 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.967 -0.943 -4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.695 0.862 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.631 1.375 -5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.986 0.198 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.597 1.904 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.365 2.233 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.817 1.096 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.788 0.596 -6.508 1.00 0.00 H new ATOM 233 N SER A 20 9.439 -3.837 -6.132 1.00 0.00 N ATOM 234 CA SER A 20 9.088 -4.909 -7.052 1.00 0.00 C ATOM 235 C SER A 20 9.222 -6.279 -6.390 1.00 0.00 C ATOM 236 O SER A 20 8.556 -7.233 -6.785 1.00 0.00 O ATOM 237 CB SER A 20 9.990 -4.843 -8.284 1.00 0.00 C ATOM 238 OG SER A 20 10.327 -3.485 -8.547 1.00 0.00 O ATOM 0 H SER A 20 10.350 -3.413 -6.304 1.00 0.00 H new ATOM 0 HA SER A 20 8.047 -4.776 -7.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.894 -5.429 -8.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.482 -5.277 -9.145 1.00 0.00 H new ATOM 0 HG SER A 20 10.907 -3.439 -9.336 1.00 0.00 H new ATOM 244 N SER A 21 10.087 -6.384 -5.386 1.00 0.00 N ATOM 245 CA SER A 21 10.284 -7.650 -4.705 1.00 0.00 C ATOM 246 C SER A 21 9.013 -8.084 -3.990 1.00 0.00 C ATOM 247 O SER A 21 8.637 -9.254 -4.047 1.00 0.00 O ATOM 248 CB SER A 21 11.423 -7.525 -3.703 1.00 0.00 C ATOM 249 OG SER A 21 11.109 -6.500 -2.771 1.00 0.00 O ATOM 0 H SER A 21 10.655 -5.614 -5.032 1.00 0.00 H new ATOM 0 HA SER A 21 10.536 -8.406 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.574 -8.472 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.354 -7.292 -4.219 1.00 0.00 H new ATOM 0 HG SER A 21 10.360 -5.967 -3.111 1.00 0.00 H new ATOM 255 N LEU A 22 8.348 -7.149 -3.315 1.00 0.00 N ATOM 256 CA LEU A 22 7.126 -7.504 -2.612 1.00 0.00 C ATOM 257 C LEU A 22 5.959 -7.627 -3.582 1.00 0.00 C ATOM 258 O LEU A 22 5.135 -8.517 -3.442 1.00 0.00 O ATOM 259 CB LEU A 22 6.790 -6.495 -1.506 1.00 0.00 C ATOM 260 CG LEU A 22 5.449 -6.860 -0.846 1.00 0.00 C ATOM 261 CD1 LEU A 22 5.487 -8.310 -0.338 1.00 0.00 C ATOM 262 CD2 LEU A 22 5.202 -5.923 0.337 1.00 0.00 C ATOM 0 H LEU A 22 8.626 -6.170 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 22 7.297 -8.472 -2.141 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.582 -6.487 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.737 -5.490 -1.924 1.00 0.00 H new ATOM 0 HG LEU A 22 4.650 -6.758 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.533 -8.558 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.668 -8.984 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.287 -8.418 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.253 -6.176 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.009 -6.032 1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.168 -4.892 -0.016 1.00 0.00 H new ATOM 274 N THR A 23 5.882 -6.743 -4.568 1.00 0.00 N ATOM 275 CA THR A 23 4.800 -6.817 -5.523 1.00 0.00 C ATOM 276 C THR A 23 4.689 -8.238 -6.064 1.00 0.00 C ATOM 277 O THR A 23 3.590 -8.769 -6.192 1.00 0.00 O ATOM 278 CB THR A 23 5.052 -5.837 -6.670 1.00 0.00 C ATOM 279 OG1 THR A 23 5.293 -4.542 -6.139 1.00 0.00 O ATOM 280 CG2 THR A 23 3.831 -5.796 -7.586 1.00 0.00 C ATOM 0 H THR A 23 6.545 -5.983 -4.721 1.00 0.00 H new ATOM 0 HA THR A 23 3.865 -6.550 -5.030 1.00 0.00 H new ATOM 0 HB THR A 23 5.920 -6.163 -7.243 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.259 -4.392 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.012 -5.097 -8.403 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.648 -6.790 -7.993 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.960 -5.471 -7.017 1.00 0.00 H new ATOM 288 N ILE A 24 5.832 -8.836 -6.388 1.00 0.00 N ATOM 289 CA ILE A 24 5.854 -10.194 -6.927 1.00 0.00 C ATOM 290 C ILE A 24 5.652 -11.240 -5.829 1.00 0.00 C ATOM 291 O ILE A 24 4.944 -12.222 -6.033 1.00 0.00 O ATOM 292 CB ILE A 24 7.181 -10.444 -7.652 1.00 0.00 C ATOM 293 CG1 ILE A 24 7.079 -9.939 -9.099 1.00 0.00 C ATOM 294 CG2 ILE A 24 7.485 -11.945 -7.675 1.00 0.00 C ATOM 295 CD1 ILE A 24 6.550 -8.501 -9.123 1.00 0.00 C ATOM 0 H ILE A 24 6.751 -8.405 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 24 5.028 -10.289 -7.632 1.00 0.00 H new ATOM 0 HB ILE A 24 7.976 -9.915 -7.127 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.058 -9.982 -9.576 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.416 -10.587 -9.672 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.429 -12.117 -8.192 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.557 -12.317 -6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.685 -12.470 -8.197 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.483 -8.155 -10.155 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.562 -8.469 -8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.229 -7.854 -8.567 1.00 0.00 H new ATOM 307 N GLN A 25 6.284 -11.049 -4.676 1.00 0.00 N ATOM 308 CA GLN A 25 6.151 -12.021 -3.594 1.00 0.00 C ATOM 309 C GLN A 25 4.734 -12.028 -3.032 1.00 0.00 C ATOM 310 O GLN A 25 4.247 -13.061 -2.588 1.00 0.00 O ATOM 311 CB GLN A 25 7.167 -11.724 -2.486 1.00 0.00 C ATOM 312 CG GLN A 25 6.908 -12.611 -1.262 1.00 0.00 C ATOM 313 CD GLN A 25 6.209 -11.800 -0.180 1.00 0.00 C ATOM 314 OE1 GLN A 25 4.985 -11.671 -0.189 1.00 0.00 O ATOM 315 NE2 GLN A 25 6.925 -11.239 0.758 1.00 0.00 N ATOM 0 H GLN A 25 6.881 -10.249 -4.467 1.00 0.00 H new ATOM 0 HA GLN A 25 6.354 -13.012 -4.001 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.178 -11.894 -2.857 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.105 -10.674 -2.200 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.293 -13.466 -1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.850 -13.007 -0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.939 -11.349 0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.470 -10.691 1.488 1.00 0.00 H new ATOM 324 N PHE A 26 4.080 -10.878 -3.055 1.00 0.00 N ATOM 325 CA PHE A 26 2.719 -10.766 -2.546 1.00 0.00 C ATOM 326 C PHE A 26 1.713 -11.326 -3.539 1.00 0.00 C ATOM 327 O PHE A 26 1.008 -12.296 -3.260 1.00 0.00 O ATOM 328 CB PHE A 26 2.369 -9.301 -2.300 1.00 0.00 C ATOM 329 CG PHE A 26 0.867 -9.152 -2.358 1.00 0.00 C ATOM 330 CD1 PHE A 26 0.060 -9.875 -1.472 1.00 0.00 C ATOM 331 CD2 PHE A 26 0.277 -8.301 -3.305 1.00 0.00 C ATOM 332 CE1 PHE A 26 -1.334 -9.749 -1.529 1.00 0.00 C ATOM 333 CE2 PHE A 26 -1.117 -8.177 -3.362 1.00 0.00 C ATOM 334 CZ PHE A 26 -1.922 -8.901 -2.474 1.00 0.00 C ATOM 0 H PHE A 26 4.468 -10.008 -3.420 1.00 0.00 H new ATOM 0 HA PHE A 26 2.672 -11.334 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.744 -8.980 -1.328 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.842 -8.667 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.513 -10.531 -0.743 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.898 -7.742 -3.990 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.955 -10.306 -0.843 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.571 -7.523 -4.091 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.997 -8.805 -2.519 1.00 0.00 H new ATOM 344 N VAL A 27 1.643 -10.678 -4.691 1.00 0.00 N ATOM 345 CA VAL A 27 0.713 -11.068 -5.736 1.00 0.00 C ATOM 346 C VAL A 27 0.722 -12.577 -5.939 1.00 0.00 C ATOM 347 O VAL A 27 -0.328 -13.217 -5.946 1.00 0.00 O ATOM 348 CB VAL A 27 1.079 -10.351 -7.024 1.00 0.00 C ATOM 349 CG1 VAL A 27 2.446 -10.827 -7.501 1.00 0.00 C ATOM 350 CG2 VAL A 27 0.034 -10.649 -8.085 1.00 0.00 C ATOM 0 H VAL A 27 2.224 -9.874 -4.926 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.296 -10.783 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 27 1.114 -9.276 -6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.708 -10.312 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.194 -10.608 -6.739 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.415 -11.902 -7.680 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.297 -10.134 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.005 -11.723 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.941 -10.304 -7.742 1.00 0.00 H new ATOM 360 N GLU A 28 1.911 -13.146 -6.071 1.00 0.00 N ATOM 361 CA GLU A 28 2.036 -14.583 -6.232 1.00 0.00 C ATOM 362 C GLU A 28 1.950 -15.221 -4.866 1.00 0.00 C ATOM 363 O GLU A 28 1.583 -16.388 -4.720 1.00 0.00 O ATOM 364 CB GLU A 28 3.379 -14.941 -6.859 1.00 0.00 C ATOM 365 CG GLU A 28 3.152 -15.676 -8.182 1.00 0.00 C ATOM 366 CD GLU A 28 2.434 -14.764 -9.171 1.00 0.00 C ATOM 367 OE1 GLU A 28 3.105 -13.970 -9.808 1.00 0.00 O ATOM 368 OE2 GLU A 28 1.223 -14.874 -9.276 1.00 0.00 O ATOM 0 H GLU A 28 2.795 -12.638 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 28 1.240 -14.942 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.964 -14.037 -7.030 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.954 -15.568 -6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.107 -15.996 -8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.562 -16.576 -8.010 1.00 0.00 H new ATOM 375 N GLY A 29 2.307 -14.429 -3.867 1.00 0.00 N ATOM 376 CA GLY A 29 2.291 -14.888 -2.501 1.00 0.00 C ATOM 377 C GLY A 29 3.475 -15.805 -2.235 1.00 0.00 C ATOM 378 O GLY A 29 3.401 -16.697 -1.390 1.00 0.00 O ATOM 0 H GLY A 29 2.611 -13.463 -3.985 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.325 -14.035 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.360 -15.418 -2.300 1.00 0.00 H new ATOM 382 N GLN A 30 4.565 -15.599 -2.974 1.00 0.00 N ATOM 383 CA GLN A 30 5.742 -16.449 -2.798 1.00 0.00 C ATOM 384 C GLN A 30 7.057 -15.701 -3.019 1.00 0.00 C ATOM 385 O GLN A 30 7.277 -15.064 -4.044 1.00 0.00 O ATOM 386 CB GLN A 30 5.659 -17.646 -3.745 1.00 0.00 C ATOM 387 CG GLN A 30 6.261 -17.288 -5.106 1.00 0.00 C ATOM 388 CD GLN A 30 5.808 -18.291 -6.158 1.00 0.00 C ATOM 389 OE1 GLN A 30 5.125 -17.871 -7.187 1.00 0.00 O flip ATOM 390 NE2 GLN A 30 6.080 -19.486 -6.041 1.00 0.00 N flip ATOM 0 H GLN A 30 4.658 -14.871 -3.682 1.00 0.00 H new ATOM 0 HA GLN A 30 5.741 -16.786 -1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.191 -18.495 -3.316 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.619 -17.950 -3.868 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.955 -16.283 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.349 -17.283 -5.041 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.614 -19.811 -5.235 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.771 -20.151 -6.750 1.00 0.00 H new ATOM 399 N PHE A 31 7.938 -15.822 -2.043 1.00 0.00 N ATOM 400 CA PHE A 31 9.249 -15.194 -2.105 1.00 0.00 C ATOM 401 C PHE A 31 10.109 -15.880 -3.162 1.00 0.00 C ATOM 402 O PHE A 31 10.740 -16.904 -2.898 1.00 0.00 O ATOM 403 CB PHE A 31 9.924 -15.304 -0.734 1.00 0.00 C ATOM 404 CG PHE A 31 11.423 -15.297 -0.901 1.00 0.00 C ATOM 405 CD1 PHE A 31 12.021 -14.339 -1.721 1.00 0.00 C ATOM 406 CD2 PHE A 31 12.211 -16.242 -0.235 1.00 0.00 C ATOM 407 CE1 PHE A 31 13.412 -14.323 -1.881 1.00 0.00 C ATOM 408 CE2 PHE A 31 13.602 -16.228 -0.392 1.00 0.00 C ATOM 409 CZ PHE A 31 14.203 -15.268 -1.215 1.00 0.00 C ATOM 0 H PHE A 31 7.769 -16.354 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 31 9.135 -14.144 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.616 -14.474 -0.099 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.609 -16.221 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.411 -13.610 -2.232 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.746 -16.982 0.400 1.00 0.00 H new ATOM 0 HE1 PHE A 31 13.875 -13.583 -2.517 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.211 -16.957 0.121 1.00 0.00 H new ATOM 0 HZ PHE A 31 15.276 -15.256 -1.336 1.00 0.00 H new ATOM 538 N GLU A 40 8.255 -0.529 -14.158 1.00 0.00 N ATOM 539 CA GLU A 40 6.916 -0.194 -13.710 1.00 0.00 C ATOM 540 C GLU A 40 5.887 -1.095 -14.381 1.00 0.00 C ATOM 541 O GLU A 40 6.113 -1.588 -15.487 1.00 0.00 O ATOM 542 CB GLU A 40 6.612 1.267 -14.038 1.00 0.00 C ATOM 543 CG GLU A 40 6.875 1.524 -15.523 1.00 0.00 C ATOM 544 CD GLU A 40 5.603 2.029 -16.197 1.00 0.00 C ATOM 545 OE1 GLU A 40 4.719 1.221 -16.430 1.00 0.00 O ATOM 546 OE2 GLU A 40 5.531 3.216 -16.468 1.00 0.00 O ATOM 0 HA GLU A 40 6.862 -0.344 -12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.574 1.496 -13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.233 1.924 -13.429 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.673 2.257 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.213 0.607 -16.005 1.00 0.00 H new ATOM 553 N ASN A 41 4.763 -1.320 -13.708 1.00 0.00 N ATOM 554 CA ASN A 41 3.729 -2.179 -14.267 1.00 0.00 C ATOM 555 C ASN A 41 2.546 -2.350 -13.321 1.00 0.00 C ATOM 556 O ASN A 41 2.572 -1.897 -12.177 1.00 0.00 O ATOM 557 CB ASN A 41 4.331 -3.542 -14.531 1.00 0.00 C ATOM 558 CG ASN A 41 4.553 -3.747 -16.025 1.00 0.00 C ATOM 559 OD1 ASN A 41 5.688 -3.691 -16.498 1.00 0.00 O ATOM 560 ND2 ASN A 41 3.531 -3.984 -16.801 1.00 0.00 N ATOM 0 H ASN A 41 4.548 -0.927 -12.792 1.00 0.00 H new ATOM 0 HA ASN A 41 3.363 -1.713 -15.182 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.278 -3.637 -14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.671 -4.319 -14.145 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.672 -4.123 -17.802 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.591 -4.030 -16.407 1.00 0.00 H new ATOM 567 N THR A 42 1.515 -3.029 -13.823 1.00 0.00 N ATOM 568 CA THR A 42 0.312 -3.294 -13.046 1.00 0.00 C ATOM 569 C THR A 42 0.243 -4.769 -12.657 1.00 0.00 C ATOM 570 O THR A 42 0.624 -5.646 -13.432 1.00 0.00 O ATOM 571 CB THR A 42 -0.926 -2.925 -13.866 1.00 0.00 C ATOM 572 OG1 THR A 42 -0.521 -2.252 -15.051 1.00 0.00 O ATOM 573 CG2 THR A 42 -1.834 -2.013 -13.045 1.00 0.00 C ATOM 0 H THR A 42 1.493 -3.406 -14.770 1.00 0.00 H new ATOM 0 HA THR A 42 0.343 -2.690 -12.139 1.00 0.00 H new ATOM 0 HB THR A 42 -1.471 -3.832 -14.128 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.312 -2.016 -15.580 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.715 -1.752 -13.632 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.143 -2.530 -12.137 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.293 -1.105 -12.779 1.00 0.00 H new ATOM 581 N PHE A 43 -0.247 -5.032 -11.449 1.00 0.00 N ATOM 582 CA PHE A 43 -0.366 -6.400 -10.954 1.00 0.00 C ATOM 583 C PHE A 43 -1.758 -6.634 -10.404 1.00 0.00 C ATOM 584 O PHE A 43 -2.511 -5.687 -10.190 1.00 0.00 O ATOM 585 CB PHE A 43 0.679 -6.659 -9.860 1.00 0.00 C ATOM 586 CG PHE A 43 2.073 -6.515 -10.430 1.00 0.00 C ATOM 587 CD1 PHE A 43 2.545 -5.258 -10.835 1.00 0.00 C ATOM 588 CD2 PHE A 43 2.889 -7.643 -10.569 1.00 0.00 C ATOM 589 CE1 PHE A 43 3.830 -5.132 -11.373 1.00 0.00 C ATOM 590 CE2 PHE A 43 4.174 -7.516 -11.112 1.00 0.00 C ATOM 591 CZ PHE A 43 4.645 -6.261 -11.514 1.00 0.00 C ATOM 0 H PHE A 43 -0.568 -4.317 -10.796 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.190 -7.089 -11.780 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.539 -5.956 -9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.547 -7.660 -9.449 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.916 -4.386 -10.731 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.528 -8.612 -10.258 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.194 -4.162 -11.680 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.802 -8.388 -11.221 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.636 -6.164 -11.932 1.00 0.00 H new ATOM 601 N THR A 44 -2.104 -7.899 -10.196 1.00 0.00 N ATOM 602 CA THR A 44 -3.416 -8.231 -9.696 1.00 0.00 C ATOM 603 C THR A 44 -3.377 -9.394 -8.723 1.00 0.00 C ATOM 604 O THR A 44 -2.560 -10.302 -8.848 1.00 0.00 O ATOM 605 CB THR A 44 -4.333 -8.595 -10.861 1.00 0.00 C ATOM 606 OG1 THR A 44 -3.673 -8.338 -12.091 1.00 0.00 O ATOM 607 CG2 THR A 44 -5.610 -7.786 -10.788 1.00 0.00 C ATOM 0 H THR A 44 -1.495 -8.699 -10.366 1.00 0.00 H new ATOM 0 HA THR A 44 -3.794 -7.356 -9.167 1.00 0.00 H new ATOM 0 HB THR A 44 -4.580 -9.655 -10.800 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.265 -8.575 -12.835 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.258 -8.053 -11.623 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.122 -7.998 -9.849 1.00 0.00 H new ATOM 0 HG23 THR A 44 -5.371 -6.724 -10.839 1.00 0.00 H new ATOM 615 N LYS A 45 -4.291 -9.359 -7.761 1.00 0.00 N ATOM 616 CA LYS A 45 -4.375 -10.416 -6.766 1.00 0.00 C ATOM 617 C LYS A 45 -5.800 -10.559 -6.240 1.00 0.00 C ATOM 618 O LYS A 45 -6.343 -9.642 -5.624 1.00 0.00 O ATOM 619 CB LYS A 45 -3.430 -10.114 -5.600 1.00 0.00 C ATOM 620 CG LYS A 45 -2.855 -11.420 -5.045 1.00 0.00 C ATOM 621 CD LYS A 45 -3.992 -12.326 -4.567 1.00 0.00 C ATOM 622 CE LYS A 45 -3.414 -13.460 -3.716 1.00 0.00 C ATOM 623 NZ LYS A 45 -1.954 -13.585 -3.981 1.00 0.00 N ATOM 0 H LYS A 45 -4.979 -8.615 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.083 -11.352 -7.242 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.622 -9.464 -5.934 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.965 -9.580 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.273 -11.927 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.176 -11.207 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.711 -11.750 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.530 -12.736 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.587 -13.260 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.918 -14.398 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.611 -14.495 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.782 -13.540 -5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.448 -12.808 -3.511 1.00 0.00 H new ATOM 637 N LEU A 46 -6.397 -11.716 -6.500 1.00 0.00 N ATOM 638 CA LEU A 46 -7.755 -11.986 -6.070 1.00 0.00 C ATOM 639 C LEU A 46 -7.756 -12.943 -4.879 1.00 0.00 C ATOM 640 O LEU A 46 -7.119 -13.995 -4.917 1.00 0.00 O ATOM 641 CB LEU A 46 -8.540 -12.627 -7.215 1.00 0.00 C ATOM 642 CG LEU A 46 -8.825 -11.573 -8.284 1.00 0.00 C ATOM 643 CD1 LEU A 46 -7.517 -11.078 -8.898 1.00 0.00 C ATOM 644 CD2 LEU A 46 -9.708 -12.173 -9.382 1.00 0.00 C ATOM 0 H LEU A 46 -5.956 -12.482 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.219 -11.044 -5.778 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.971 -13.452 -7.644 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.475 -13.045 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 46 -9.342 -10.733 -7.819 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.733 -10.327 -9.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.894 -10.637 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.990 -11.915 -9.355 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.908 -11.417 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.196 -13.020 -9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.650 -12.510 -8.948 1.00 0.00 H new ATOM 656 N ILE A 47 -8.477 -12.574 -3.823 1.00 0.00 N ATOM 657 CA ILE A 47 -8.551 -13.411 -2.628 1.00 0.00 C ATOM 658 C ILE A 47 -9.917 -13.272 -1.963 1.00 0.00 C ATOM 659 O ILE A 47 -10.640 -12.309 -2.215 1.00 0.00 O ATOM 660 CB ILE A 47 -7.459 -13.012 -1.635 1.00 0.00 C ATOM 661 CG1 ILE A 47 -7.136 -11.525 -1.805 1.00 0.00 C ATOM 662 CG2 ILE A 47 -6.201 -13.839 -1.900 1.00 0.00 C ATOM 663 CD1 ILE A 47 -6.183 -11.079 -0.693 1.00 0.00 C ATOM 0 H ILE A 47 -9.014 -11.709 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.405 -14.449 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.807 -13.196 -0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.681 -11.350 -2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.053 -10.937 -1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -5.423 -13.554 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.430 -14.898 -1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.852 -13.655 -2.916 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.953 -10.020 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.655 -11.239 0.276 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.262 -11.659 -0.749 1.00 0.00 H new ATOM 675 N THR A 48 -10.264 -14.242 -1.119 1.00 0.00 N ATOM 676 CA THR A 48 -11.549 -14.221 -0.425 1.00 0.00 C ATOM 677 C THR A 48 -11.358 -14.126 1.085 1.00 0.00 C ATOM 678 O THR A 48 -10.691 -14.964 1.693 1.00 0.00 O ATOM 679 CB THR A 48 -12.341 -15.483 -0.757 1.00 0.00 C ATOM 680 OG1 THR A 48 -12.262 -15.738 -2.153 1.00 0.00 O ATOM 681 CG2 THR A 48 -13.804 -15.295 -0.352 1.00 0.00 C ATOM 0 H THR A 48 -9.677 -15.047 -0.900 1.00 0.00 H new ATOM 0 HA THR A 48 -12.098 -13.341 -0.761 1.00 0.00 H new ATOM 0 HB THR A 48 -11.922 -16.327 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.769 -16.549 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 48 -14.366 -16.198 -0.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 -13.863 -15.103 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 48 -14.226 -14.450 -0.896 1.00 0.00 H new ATOM 689 N VAL A 49 -11.959 -13.099 1.682 1.00 0.00 N ATOM 690 CA VAL A 49 -11.871 -12.888 3.122 1.00 0.00 C ATOM 691 C VAL A 49 -13.260 -12.956 3.744 1.00 0.00 C ATOM 692 O VAL A 49 -14.171 -12.244 3.324 1.00 0.00 O ATOM 693 CB VAL A 49 -11.246 -11.522 3.413 1.00 0.00 C ATOM 694 CG1 VAL A 49 -11.863 -10.465 2.493 1.00 0.00 C ATOM 695 CG2 VAL A 49 -11.513 -11.139 4.871 1.00 0.00 C ATOM 0 H VAL A 49 -12.513 -12.399 1.188 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.245 -13.669 3.554 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.172 -11.574 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -11.415 -9.494 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.676 -10.733 1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.938 -10.414 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.068 -10.166 5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -12.588 -11.091 5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.073 -11.887 5.530 1.00 0.00 H new ATOM 705 N ASN A 50 -13.421 -13.819 4.743 1.00 0.00 N ATOM 706 CA ASN A 50 -14.711 -13.971 5.405 1.00 0.00 C ATOM 707 C ASN A 50 -15.764 -14.444 4.407 1.00 0.00 C ATOM 708 O ASN A 50 -16.958 -14.208 4.590 1.00 0.00 O ATOM 709 CB ASN A 50 -15.150 -12.637 6.016 1.00 0.00 C ATOM 710 CG ASN A 50 -13.973 -11.977 6.727 1.00 0.00 C ATOM 711 OD1 ASN A 50 -13.011 -12.719 7.203 1.00 0.00 O flip ATOM 712 ND2 ASN A 50 -13.929 -10.753 6.852 1.00 0.00 N flip ATOM 0 H ASN A 50 -12.681 -14.418 5.109 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.608 -14.713 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.530 -11.978 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -15.966 -12.801 6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -14.682 -10.175 6.479 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.139 -10.317 7.328 1.00 0.00 H new ATOM 719 N GLY A 51 -15.309 -15.107 3.349 1.00 0.00 N ATOM 720 CA GLY A 51 -16.216 -15.607 2.322 1.00 0.00 C ATOM 721 C GLY A 51 -16.520 -14.519 1.300 1.00 0.00 C ATOM 722 O GLY A 51 -17.116 -14.781 0.256 1.00 0.00 O ATOM 0 H GLY A 51 -14.324 -15.310 3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.770 -16.468 1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.142 -15.950 2.783 1.00 0.00 H new ATOM 726 N GLN A 52 -16.096 -13.298 1.608 1.00 0.00 N ATOM 727 CA GLN A 52 -16.316 -12.173 0.710 1.00 0.00 C ATOM 728 C GLN A 52 -15.156 -12.067 -0.273 1.00 0.00 C ATOM 729 O GLN A 52 -13.994 -12.098 0.127 1.00 0.00 O ATOM 730 CB GLN A 52 -16.438 -10.882 1.518 1.00 0.00 C ATOM 731 CG GLN A 52 -16.858 -9.730 0.602 1.00 0.00 C ATOM 732 CD GLN A 52 -18.280 -9.953 0.097 1.00 0.00 C ATOM 733 OE1 GLN A 52 -19.036 -10.727 0.686 1.00 0.00 O ATOM 734 NE2 GLN A 52 -18.692 -9.319 -0.967 1.00 0.00 N ATOM 0 H GLN A 52 -15.601 -13.064 2.468 1.00 0.00 H new ATOM 0 HA GLN A 52 -17.240 -12.331 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -17.171 -11.010 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -15.486 -10.650 1.995 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -16.800 -8.785 1.143 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -16.172 -9.657 -0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -18.065 -8.678 -1.454 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -19.641 -9.464 -1.312 1.00 0.00 H new ATOM 743 N GLU A 53 -15.470 -11.956 -1.558 1.00 0.00 N ATOM 744 CA GLU A 53 -14.438 -11.866 -2.568 1.00 0.00 C ATOM 745 C GLU A 53 -13.823 -10.476 -2.607 1.00 0.00 C ATOM 746 O GLU A 53 -14.491 -9.468 -2.371 1.00 0.00 O ATOM 747 CB GLU A 53 -15.025 -12.202 -3.925 1.00 0.00 C ATOM 748 CG GLU A 53 -14.495 -13.555 -4.392 1.00 0.00 C ATOM 749 CD GLU A 53 -15.133 -13.935 -5.723 1.00 0.00 C ATOM 750 OE1 GLU A 53 -16.224 -14.480 -5.701 1.00 0.00 O ATOM 751 OE2 GLU A 53 -14.520 -13.677 -6.746 1.00 0.00 O ATOM 0 H GLU A 53 -16.424 -11.927 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.652 -12.578 -2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -16.113 -12.227 -3.865 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.763 -11.429 -4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.411 -13.513 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.713 -14.318 -3.644 1.00 0.00 H new ATOM 758 N TYR A 54 -12.539 -10.448 -2.907 1.00 0.00 N ATOM 759 CA TYR A 54 -11.792 -9.200 -2.981 1.00 0.00 C ATOM 760 C TYR A 54 -10.854 -9.224 -4.183 1.00 0.00 C ATOM 761 O TYR A 54 -10.036 -10.134 -4.321 1.00 0.00 O ATOM 762 CB TYR A 54 -10.967 -9.000 -1.706 1.00 0.00 C ATOM 763 CG TYR A 54 -11.768 -8.232 -0.682 1.00 0.00 C ATOM 764 CD1 TYR A 54 -12.810 -8.865 -0.007 1.00 0.00 C ATOM 765 CD2 TYR A 54 -11.468 -6.892 -0.406 1.00 0.00 C ATOM 766 CE1 TYR A 54 -13.560 -8.164 0.945 1.00 0.00 C ATOM 767 CE2 TYR A 54 -12.215 -6.188 0.545 1.00 0.00 C ATOM 768 CZ TYR A 54 -13.262 -6.825 1.221 1.00 0.00 C ATOM 769 OH TYR A 54 -14.001 -6.133 2.159 1.00 0.00 O ATOM 0 H TYR A 54 -11.985 -11.281 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 54 -12.501 -8.379 -3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -10.674 -9.967 -1.298 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.049 -8.461 -1.939 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -13.040 -9.899 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.659 -6.402 -0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -14.368 -8.656 1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -11.984 -5.155 0.757 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.846 -6.518 3.047 1.00 0.00 H new ATOM 779 N HIS A 55 -10.974 -8.221 -5.045 1.00 0.00 N ATOM 780 CA HIS A 55 -10.134 -8.130 -6.228 1.00 0.00 C ATOM 781 C HIS A 55 -9.287 -6.869 -6.148 1.00 0.00 C ATOM 782 O HIS A 55 -9.821 -5.759 -6.181 1.00 0.00 O ATOM 783 CB HIS A 55 -11.024 -8.066 -7.468 1.00 0.00 C ATOM 784 CG HIS A 55 -11.572 -9.433 -7.768 1.00 0.00 C ATOM 785 ND1 HIS A 55 -11.575 -10.450 -6.825 1.00 0.00 N ATOM 786 CD2 HIS A 55 -12.142 -9.968 -8.897 1.00 0.00 C ATOM 787 CE1 HIS A 55 -12.131 -11.533 -7.397 1.00 0.00 C ATOM 788 NE2 HIS A 55 -12.495 -11.292 -8.660 1.00 0.00 N ATOM 0 H HIS A 55 -11.646 -7.460 -4.945 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.483 -9.002 -6.287 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -11.841 -7.363 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.452 -7.698 -8.320 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.293 -9.441 -9.827 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.267 -12.481 -6.897 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -12.937 -11.941 -9.311 1.00 0.00 H new ATOM 797 N LEU A 56 -7.970 -7.042 -6.024 1.00 0.00 N ATOM 798 CA LEU A 56 -7.073 -5.896 -5.916 1.00 0.00 C ATOM 799 C LEU A 56 -6.064 -5.849 -7.053 1.00 0.00 C ATOM 800 O LEU A 56 -5.595 -6.875 -7.540 1.00 0.00 O ATOM 801 CB LEU A 56 -6.307 -5.930 -4.597 1.00 0.00 C ATOM 802 CG LEU A 56 -7.132 -5.286 -3.481 1.00 0.00 C ATOM 803 CD1 LEU A 56 -8.454 -6.028 -3.323 1.00 0.00 C ATOM 804 CD2 LEU A 56 -6.351 -5.356 -2.166 1.00 0.00 C ATOM 0 H LEU A 56 -7.508 -7.951 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.703 -5.008 -5.965 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.070 -6.961 -4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.359 -5.403 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.331 -4.245 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.038 -5.566 -2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.012 -5.980 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.258 -7.070 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.937 -4.898 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.152 -6.398 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.407 -4.822 -2.275 1.00 0.00 H new ATOM 816 N GLN A 57 -5.727 -4.629 -7.436 1.00 0.00 N ATOM 817 CA GLN A 57 -4.752 -4.379 -8.497 1.00 0.00 C ATOM 818 C GLN A 57 -3.805 -3.259 -8.081 1.00 0.00 C ATOM 819 O GLN A 57 -4.248 -2.171 -7.750 1.00 0.00 O ATOM 820 CB GLN A 57 -5.472 -4.003 -9.793 1.00 0.00 C ATOM 821 CG GLN A 57 -4.533 -3.197 -10.690 1.00 0.00 C ATOM 822 CD GLN A 57 -5.030 -3.233 -12.131 1.00 0.00 C ATOM 823 OE1 GLN A 57 -5.733 -2.323 -12.568 1.00 0.00 O ATOM 824 NE2 GLN A 57 -4.706 -4.237 -12.898 1.00 0.00 N ATOM 0 H GLN A 57 -6.118 -3.782 -7.024 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.173 -5.287 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.802 -4.903 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.365 -3.420 -9.568 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.479 -2.166 -10.341 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.524 -3.605 -10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.123 -4.990 -12.533 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.036 -4.269 -13.863 1.00 0.00 H new ATOM 833 N LEU A 58 -2.499 -3.527 -8.080 1.00 0.00 N ATOM 834 CA LEU A 58 -1.547 -2.517 -7.661 1.00 0.00 C ATOM 835 C LEU A 58 -0.612 -2.118 -8.766 1.00 0.00 C ATOM 836 O LEU A 58 -0.375 -2.869 -9.711 1.00 0.00 O ATOM 837 CB LEU A 58 -0.727 -2.982 -6.449 1.00 0.00 C ATOM 838 CG LEU A 58 -1.430 -4.113 -5.699 1.00 0.00 C ATOM 839 CD1 LEU A 58 -2.824 -3.664 -5.266 1.00 0.00 C ATOM 840 CD2 LEU A 58 -1.509 -5.385 -6.557 1.00 0.00 C ATOM 0 H LEU A 58 -2.089 -4.418 -8.360 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.140 -1.646 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.255 -3.319 -6.780 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.565 -2.142 -5.774 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.845 -4.352 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.318 -4.476 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.740 -2.797 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.410 -3.398 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.014 -6.171 -5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.067 -5.174 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.502 -5.713 -6.815 1.00 0.00 H new ATOM 852 N VAL A 59 -0.102 -0.899 -8.637 1.00 0.00 N ATOM 853 CA VAL A 59 0.801 -0.367 -9.641 1.00 0.00 C ATOM 854 C VAL A 59 2.046 0.244 -9.043 1.00 0.00 C ATOM 855 O VAL A 59 2.023 0.871 -7.990 1.00 0.00 O ATOM 856 CB VAL A 59 0.090 0.690 -10.494 1.00 0.00 C ATOM 857 CG1 VAL A 59 0.363 2.094 -9.945 1.00 0.00 C ATOM 858 CG2 VAL A 59 0.598 0.625 -11.947 1.00 0.00 C ATOM 0 H VAL A 59 -0.297 -0.271 -7.858 1.00 0.00 H new ATOM 0 HA VAL A 59 1.105 -1.212 -10.258 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.980 0.486 -10.463 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.149 2.832 -10.562 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.003 2.161 -8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.435 2.289 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.087 1.380 -12.545 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.672 0.813 -11.966 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.395 -0.363 -12.359 1.00 0.00 H new ATOM 868 N ASP A 60 3.126 0.077 -9.771 1.00 0.00 N ATOM 869 CA ASP A 60 4.402 0.635 -9.378 1.00 0.00 C ATOM 870 C ASP A 60 4.903 1.499 -10.516 1.00 0.00 C ATOM 871 O ASP A 60 5.349 0.975 -11.536 1.00 0.00 O ATOM 872 CB ASP A 60 5.402 -0.488 -9.082 1.00 0.00 C ATOM 873 CG ASP A 60 6.777 -0.130 -9.637 1.00 0.00 C ATOM 874 OD1 ASP A 60 7.280 0.923 -9.284 1.00 0.00 O ATOM 875 OD2 ASP A 60 7.306 -0.915 -10.405 1.00 0.00 O ATOM 0 H ASP A 60 3.147 -0.446 -10.647 1.00 0.00 H new ATOM 0 HA ASP A 60 4.291 1.232 -8.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.468 -0.652 -8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.054 -1.421 -9.526 1.00 0.00 H new ATOM 880 N THR A 61 4.796 2.821 -10.361 1.00 0.00 N ATOM 881 CA THR A 61 5.228 3.723 -11.414 1.00 0.00 C ATOM 882 C THR A 61 6.207 4.748 -10.876 1.00 0.00 C ATOM 883 O THR A 61 6.176 5.106 -9.698 1.00 0.00 O ATOM 884 CB THR A 61 4.025 4.435 -12.024 1.00 0.00 C ATOM 885 OG1 THR A 61 2.940 4.401 -11.109 1.00 0.00 O ATOM 886 CG2 THR A 61 3.620 3.737 -13.324 1.00 0.00 C ATOM 0 H THR A 61 4.420 3.278 -9.530 1.00 0.00 H new ATOM 0 HA THR A 61 5.726 3.133 -12.183 1.00 0.00 H new ATOM 0 HB THR A 61 4.288 5.471 -12.237 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.168 4.860 -11.500 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.760 4.247 -13.758 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.452 3.766 -14.027 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.358 2.700 -13.114 1.00 0.00 H new ATOM 1134 N ILE A 78 -7.675 4.553 -9.374 1.00 0.00 N ATOM 1135 CA ILE A 78 -7.595 3.580 -8.325 1.00 0.00 C ATOM 1136 C ILE A 78 -8.537 3.889 -7.178 1.00 0.00 C ATOM 1137 O ILE A 78 -9.336 4.824 -7.240 1.00 0.00 O ATOM 1138 CB ILE A 78 -6.190 3.591 -7.836 1.00 0.00 C ATOM 1139 CG1 ILE A 78 -5.842 4.927 -7.191 1.00 0.00 C ATOM 1140 CG2 ILE A 78 -5.254 3.345 -9.014 1.00 0.00 C ATOM 1141 CD1 ILE A 78 -4.434 4.811 -6.672 1.00 0.00 C ATOM 0 HA ILE A 78 -7.888 2.604 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.077 2.808 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.920 5.737 -7.916 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.534 5.156 -6.381 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.221 3.351 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.480 2.377 -9.462 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.391 4.130 -9.758 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.142 5.749 -6.200 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.381 4.005 -5.940 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.758 4.595 -7.499 1.00 0.00 H new ATOM 1153 N ASN A 79 -8.417 3.098 -6.122 1.00 0.00 N ATOM 1154 CA ASN A 79 -9.245 3.292 -4.940 1.00 0.00 C ATOM 1155 C ASN A 79 -8.488 2.809 -3.719 1.00 0.00 C ATOM 1156 O ASN A 79 -9.071 2.529 -2.673 1.00 0.00 O ATOM 1157 CB ASN A 79 -10.560 2.524 -5.078 1.00 0.00 C ATOM 1158 CG ASN A 79 -11.563 3.345 -5.881 1.00 0.00 C ATOM 1159 OD1 ASN A 79 -11.738 4.606 -5.596 1.00 0.00 O flip ATOM 1160 ND2 ASN A 79 -12.204 2.823 -6.794 1.00 0.00 N flip ATOM 0 H ASN A 79 -7.759 2.321 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 79 -9.476 4.352 -4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.382 1.568 -5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.966 2.303 -4.091 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -12.066 1.837 -7.015 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -12.873 3.377 -7.329 1.00 0.00 H new ATOM 1167 N GLY A 80 -7.178 2.691 -3.884 1.00 0.00 N ATOM 1168 CA GLY A 80 -6.319 2.213 -2.815 1.00 0.00 C ATOM 1169 C GLY A 80 -4.950 2.863 -2.848 1.00 0.00 C ATOM 1170 O GLY A 80 -4.564 3.490 -3.835 1.00 0.00 O ATOM 0 H GLY A 80 -6.689 2.920 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.792 2.414 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.208 1.132 -2.896 1.00 0.00 H new ATOM 1174 N TYR A 81 -4.211 2.670 -1.770 1.00 0.00 N ATOM 1175 CA TYR A 81 -2.864 3.200 -1.679 1.00 0.00 C ATOM 1176 C TYR A 81 -1.984 2.356 -0.764 1.00 0.00 C ATOM 1177 O TYR A 81 -2.300 2.174 0.412 1.00 0.00 O ATOM 1178 CB TYR A 81 -2.888 4.638 -1.165 1.00 0.00 C ATOM 1179 CG TYR A 81 -2.223 5.559 -2.163 1.00 0.00 C ATOM 1180 CD1 TYR A 81 -0.962 5.245 -2.686 1.00 0.00 C ATOM 1181 CD2 TYR A 81 -2.866 6.738 -2.556 1.00 0.00 C ATOM 1182 CE1 TYR A 81 -0.350 6.099 -3.591 1.00 0.00 C ATOM 1183 CE2 TYR A 81 -2.251 7.596 -3.471 1.00 0.00 C ATOM 1184 CZ TYR A 81 -0.990 7.278 -3.990 1.00 0.00 C ATOM 1185 OH TYR A 81 -0.380 8.126 -4.891 1.00 0.00 O ATOM 0 H TYR A 81 -4.521 2.152 -0.948 1.00 0.00 H new ATOM 0 HA TYR A 81 -2.442 3.174 -2.684 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.917 4.955 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -2.375 4.698 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.465 4.335 -2.383 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.837 6.984 -2.152 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.623 5.854 -3.989 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.748 8.504 -3.778 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.064 8.594 -5.414 1.00 0.00 H new ATOM 1195 N ILE A 82 -0.872 1.871 -1.295 1.00 0.00 N ATOM 1196 CA ILE A 82 0.060 1.080 -0.506 1.00 0.00 C ATOM 1197 C ILE A 82 1.458 1.662 -0.647 1.00 0.00 C ATOM 1198 O ILE A 82 2.167 1.414 -1.618 1.00 0.00 O ATOM 1199 CB ILE A 82 0.047 -0.367 -0.975 1.00 0.00 C ATOM 1200 CG1 ILE A 82 1.041 -1.193 -0.157 1.00 0.00 C ATOM 1201 CG2 ILE A 82 0.450 -0.399 -2.437 1.00 0.00 C ATOM 1202 CD1 ILE A 82 0.941 -2.652 -0.592 1.00 0.00 C ATOM 0 H ILE A 82 -0.593 2.011 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.240 1.108 0.542 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.950 -0.788 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.055 -0.822 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.823 -1.100 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.447 -1.429 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.257 0.189 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.450 0.020 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.645 -3.252 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.072 -3.015 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.178 -2.732 -1.653 1.00 0.00 H new ATOM 1214 N LEU A 83 1.855 2.448 0.323 1.00 0.00 N ATOM 1215 CA LEU A 83 3.161 3.063 0.262 1.00 0.00 C ATOM 1216 C LEU A 83 4.169 2.253 1.047 1.00 0.00 C ATOM 1217 O LEU A 83 3.938 1.885 2.199 1.00 0.00 O ATOM 1218 CB LEU A 83 3.106 4.489 0.800 1.00 0.00 C ATOM 1219 CG LEU A 83 1.786 4.739 1.540 1.00 0.00 C ATOM 1220 CD1 LEU A 83 1.865 6.076 2.279 1.00 0.00 C ATOM 1221 CD2 LEU A 83 0.628 4.790 0.538 1.00 0.00 C ATOM 0 H LEU A 83 1.305 2.675 1.151 1.00 0.00 H new ATOM 0 HA LEU A 83 3.474 3.093 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.945 4.661 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.207 5.197 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 83 1.616 3.930 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.928 6.256 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.685 6.047 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.038 6.878 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.306 4.968 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.799 5.597 -0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.567 3.842 0.004 1.00 0.00 H new ATOM 1233 N VAL A 84 5.291 1.970 0.403 1.00 0.00 N ATOM 1234 CA VAL A 84 6.342 1.189 1.038 1.00 0.00 C ATOM 1235 C VAL A 84 7.350 2.121 1.706 1.00 0.00 C ATOM 1236 O VAL A 84 7.801 3.105 1.122 1.00 0.00 O ATOM 1237 CB VAL A 84 7.043 0.297 -0.010 1.00 0.00 C ATOM 1238 CG1 VAL A 84 8.558 0.249 0.235 1.00 0.00 C ATOM 1239 CG2 VAL A 84 6.490 -1.131 0.072 1.00 0.00 C ATOM 0 H VAL A 84 5.497 2.266 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 84 5.901 0.548 1.801 1.00 0.00 H new ATOM 0 HB VAL A 84 6.853 0.722 -0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.028 -0.386 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.969 1.256 0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.753 -0.158 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.987 -1.757 -0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.671 -1.535 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.418 -1.118 -0.125 1.00 0.00 H new ATOM 1249 N TYR A 85 7.679 1.785 2.948 1.00 0.00 N ATOM 1250 CA TYR A 85 8.619 2.557 3.753 1.00 0.00 C ATOM 1251 C TYR A 85 9.911 1.767 3.894 1.00 0.00 C ATOM 1252 O TYR A 85 9.877 0.541 4.005 1.00 0.00 O ATOM 1253 CB TYR A 85 8.030 2.786 5.152 1.00 0.00 C ATOM 1254 CG TYR A 85 7.294 4.105 5.239 1.00 0.00 C ATOM 1255 CD1 TYR A 85 6.577 4.600 4.142 1.00 0.00 C ATOM 1256 CD2 TYR A 85 7.318 4.829 6.439 1.00 0.00 C ATOM 1257 CE1 TYR A 85 5.892 5.816 4.247 1.00 0.00 C ATOM 1258 CE2 TYR A 85 6.629 6.043 6.541 1.00 0.00 C ATOM 1259 CZ TYR A 85 5.917 6.537 5.444 1.00 0.00 C ATOM 1260 OH TYR A 85 5.237 7.734 5.544 1.00 0.00 O ATOM 0 H TYR A 85 7.301 0.968 3.427 1.00 0.00 H new ATOM 0 HA TYR A 85 8.809 3.516 3.271 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.348 1.972 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.830 2.766 5.892 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.553 4.044 3.216 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.869 4.449 7.287 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.342 6.199 3.400 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.647 6.598 7.467 1.00 0.00 H new ATOM 0 HH TYR A 85 4.609 7.817 4.796 1.00 0.00 H new ATOM 1270 N SER A 86 11.044 2.459 3.891 1.00 0.00 N ATOM 1271 CA SER A 86 12.326 1.779 4.023 1.00 0.00 C ATOM 1272 C SER A 86 12.905 2.007 5.406 1.00 0.00 C ATOM 1273 O SER A 86 13.140 3.146 5.809 1.00 0.00 O ATOM 1274 CB SER A 86 13.312 2.294 2.978 1.00 0.00 C ATOM 1275 OG SER A 86 14.199 3.216 3.596 1.00 0.00 O ATOM 0 H SER A 86 11.102 3.473 3.800 1.00 0.00 H new ATOM 0 HA SER A 86 12.161 0.713 3.870 1.00 0.00 H new ATOM 0 HB2 SER A 86 13.872 1.464 2.547 1.00 0.00 H new ATOM 0 HB3 SER A 86 12.777 2.776 2.160 1.00 0.00 H new ATOM 0 HG SER A 86 13.701 3.777 4.226 1.00 0.00 H new ATOM 1281 N VAL A 87 13.149 0.923 6.131 1.00 0.00 N ATOM 1282 CA VAL A 87 13.716 1.038 7.458 1.00 0.00 C ATOM 1283 C VAL A 87 15.195 1.404 7.346 1.00 0.00 C ATOM 1284 O VAL A 87 15.981 1.129 8.256 1.00 0.00 O ATOM 1285 CB VAL A 87 13.571 -0.295 8.194 1.00 0.00 C ATOM 1286 CG1 VAL A 87 12.127 -0.768 8.159 1.00 0.00 C ATOM 1287 CG2 VAL A 87 14.453 -1.356 7.536 1.00 0.00 C ATOM 0 H VAL A 87 12.964 -0.032 5.823 1.00 0.00 H new ATOM 0 HA VAL A 87 13.190 1.815 8.013 1.00 0.00 H new ATOM 0 HB VAL A 87 13.879 -0.147 9.229 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.042 -1.718 8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.490 -0.027 8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.812 -0.899 7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.343 -2.301 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.151 -1.486 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.495 -1.038 7.574 1.00 0.00 H new ATOM 1297 N THR A 88 15.578 1.975 6.196 1.00 0.00 N ATOM 1298 CA THR A 88 16.980 2.293 5.952 1.00 0.00 C ATOM 1299 C THR A 88 17.202 3.593 5.195 1.00 0.00 C ATOM 1300 O THR A 88 18.350 3.997 5.005 1.00 0.00 O ATOM 1301 CB THR A 88 17.560 1.178 5.086 1.00 0.00 C ATOM 1302 OG1 THR A 88 18.950 1.401 4.897 1.00 0.00 O ATOM 1303 CG2 THR A 88 16.845 1.169 3.718 1.00 0.00 C ATOM 0 H THR A 88 14.944 2.220 5.435 1.00 0.00 H new ATOM 0 HA THR A 88 17.454 2.395 6.928 1.00 0.00 H new ATOM 0 HB THR A 88 17.412 0.217 5.579 1.00 0.00 H new ATOM 0 HG1 THR A 88 19.115 2.360 4.785 1.00 0.00 H new ATOM 0 HG21 THR A 88 17.257 0.374 3.097 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.779 0.998 3.866 1.00 0.00 H new ATOM 0 HG23 THR A 88 16.993 2.129 3.224 1.00 0.00 H new ATOM 1311 N SER A 89 16.133 4.213 4.700 1.00 0.00 N ATOM 1312 CA SER A 89 16.310 5.411 3.904 1.00 0.00 C ATOM 1313 C SER A 89 15.332 6.498 4.288 1.00 0.00 C ATOM 1314 O SER A 89 14.159 6.514 3.874 1.00 0.00 O ATOM 1315 CB SER A 89 16.185 5.064 2.419 1.00 0.00 C ATOM 1316 OG SER A 89 15.128 5.804 1.843 1.00 0.00 O ATOM 0 H SER A 89 15.167 3.913 4.833 1.00 0.00 H new ATOM 0 HA SER A 89 17.308 5.803 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.120 5.286 1.904 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.001 3.996 2.300 1.00 0.00 H new ATOM 0 HG SER A 89 15.243 5.836 0.870 1.00 0.00 H new ATOM 1322 N ILE A 90 15.847 7.430 5.068 1.00 0.00 N ATOM 1323 CA ILE A 90 15.064 8.554 5.496 1.00 0.00 C ATOM 1324 C ILE A 90 14.522 9.262 4.275 1.00 0.00 C ATOM 1325 O ILE A 90 13.647 10.119 4.373 1.00 0.00 O ATOM 1326 CB ILE A 90 15.930 9.492 6.327 1.00 0.00 C ATOM 1327 CG1 ILE A 90 16.456 8.758 7.579 1.00 0.00 C ATOM 1328 CG2 ILE A 90 15.137 10.737 6.723 1.00 0.00 C ATOM 1329 CD1 ILE A 90 15.353 8.582 8.637 1.00 0.00 C ATOM 0 H ILE A 90 16.807 7.423 5.414 1.00 0.00 H new ATOM 0 HA ILE A 90 14.230 8.222 6.114 1.00 0.00 H new ATOM 0 HB ILE A 90 16.783 9.808 5.727 1.00 0.00 H new ATOM 0 HG12 ILE A 90 16.845 7.781 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 90 17.287 9.319 8.008 1.00 0.00 H new ATOM 0 HG21 ILE A 90 15.769 11.398 7.316 1.00 0.00 H new ATOM 0 HG22 ILE A 90 14.808 11.260 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 90 14.267 10.443 7.311 1.00 0.00 H new ATOM 0 HD11 ILE A 90 15.760 8.061 9.504 1.00 0.00 H new ATOM 0 HD12 ILE A 90 14.982 9.560 8.942 1.00 0.00 H new ATOM 0 HD13 ILE A 90 14.534 7.999 8.215 1.00 0.00 H new ATOM 1341 N LYS A 91 15.036 8.867 3.114 1.00 0.00 N ATOM 1342 CA LYS A 91 14.586 9.450 1.862 1.00 0.00 C ATOM 1343 C LYS A 91 13.262 8.833 1.433 1.00 0.00 C ATOM 1344 O LYS A 91 12.354 9.535 0.999 1.00 0.00 O ATOM 1345 CB LYS A 91 15.629 9.247 0.767 1.00 0.00 C ATOM 1346 CG LYS A 91 16.880 8.587 1.351 1.00 0.00 C ATOM 1347 CD LYS A 91 17.969 8.516 0.279 1.00 0.00 C ATOM 1348 CE LYS A 91 19.172 7.745 0.826 1.00 0.00 C ATOM 1349 NZ LYS A 91 19.754 8.484 1.982 1.00 0.00 N ATOM 0 H LYS A 91 15.757 8.152 3.018 1.00 0.00 H new ATOM 0 HA LYS A 91 14.445 10.519 2.019 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.217 8.625 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.889 10.206 0.319 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.237 9.156 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.642 7.585 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.584 8.024 -0.614 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.271 9.521 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.866 6.746 1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.923 7.620 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.708 8.121 2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.809 9.497 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.151 8.350 2.819 1.00 0.00 H new ATOM 1363 N SER A 92 13.170 7.511 1.549 1.00 0.00 N ATOM 1364 CA SER A 92 11.967 6.794 1.157 1.00 0.00 C ATOM 1365 C SER A 92 10.755 7.210 1.983 1.00 0.00 C ATOM 1366 O SER A 92 9.669 7.425 1.435 1.00 0.00 O ATOM 1367 CB SER A 92 12.188 5.292 1.320 1.00 0.00 C ATOM 1368 OG SER A 92 12.177 4.970 2.705 1.00 0.00 O ATOM 0 H SER A 92 13.916 6.917 1.912 1.00 0.00 H new ATOM 0 HA SER A 92 11.766 7.041 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.408 4.738 0.798 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.139 5.001 0.873 1.00 0.00 H new ATOM 0 HG SER A 92 12.865 5.492 3.168 1.00 0.00 H new ATOM 1374 N PHE A 93 10.909 7.301 3.303 1.00 0.00 N ATOM 1375 CA PHE A 93 9.753 7.661 4.116 1.00 0.00 C ATOM 1376 C PHE A 93 9.438 9.160 4.030 1.00 0.00 C ATOM 1377 O PHE A 93 8.267 9.543 4.016 1.00 0.00 O ATOM 1378 CB PHE A 93 9.943 7.187 5.564 1.00 0.00 C ATOM 1379 CG PHE A 93 10.255 8.333 6.490 1.00 0.00 C ATOM 1380 CD1 PHE A 93 9.274 9.290 6.801 1.00 0.00 C ATOM 1381 CD2 PHE A 93 11.526 8.428 7.045 1.00 0.00 C ATOM 1382 CE1 PHE A 93 9.576 10.347 7.664 1.00 0.00 C ATOM 1383 CE2 PHE A 93 11.827 9.490 7.914 1.00 0.00 C ATOM 1384 CZ PHE A 93 10.854 10.448 8.219 1.00 0.00 C ATOM 0 H PHE A 93 11.778 7.139 3.811 1.00 0.00 H new ATOM 0 HA PHE A 93 8.882 7.145 3.712 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.039 6.681 5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.751 6.456 5.604 1.00 0.00 H new ATOM 0 HD1 PHE A 93 8.286 9.209 6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 93 12.278 7.689 6.809 1.00 0.00 H new ATOM 0 HE1 PHE A 93 8.823 11.084 7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 93 12.813 9.567 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 93 11.091 11.266 8.884 1.00 0.00 H new ATOM 1394 N GLU A 94 10.461 10.010 3.973 1.00 0.00 N ATOM 1395 CA GLU A 94 10.221 11.452 3.894 1.00 0.00 C ATOM 1396 C GLU A 94 9.630 11.858 2.546 1.00 0.00 C ATOM 1397 O GLU A 94 8.689 12.655 2.488 1.00 0.00 O ATOM 1398 CB GLU A 94 11.517 12.223 4.114 1.00 0.00 C ATOM 1399 CG GLU A 94 11.881 12.194 5.596 1.00 0.00 C ATOM 1400 CD GLU A 94 13.201 12.922 5.823 1.00 0.00 C ATOM 1401 OE1 GLU A 94 13.960 13.039 4.874 1.00 0.00 O ATOM 1402 OE2 GLU A 94 13.433 13.351 6.941 1.00 0.00 O ATOM 0 H GLU A 94 11.443 9.736 3.980 1.00 0.00 H new ATOM 0 HA GLU A 94 9.503 11.696 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.320 11.782 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.402 13.253 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.091 12.664 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.961 11.163 5.939 1.00 0.00 H new ATOM 1409 N VAL A 95 10.186 11.327 1.462 1.00 0.00 N ATOM 1410 CA VAL A 95 9.695 11.680 0.135 1.00 0.00 C ATOM 1411 C VAL A 95 8.254 11.229 -0.019 1.00 0.00 C ATOM 1412 O VAL A 95 7.446 11.916 -0.643 1.00 0.00 O ATOM 1413 CB VAL A 95 10.548 11.034 -0.954 1.00 0.00 C ATOM 1414 CG1 VAL A 95 12.006 11.464 -0.790 1.00 0.00 C ATOM 1415 CG2 VAL A 95 10.441 9.522 -0.827 1.00 0.00 C ATOM 0 H VAL A 95 10.961 10.664 1.473 1.00 0.00 H new ATOM 0 HA VAL A 95 9.756 12.763 0.028 1.00 0.00 H new ATOM 0 HB VAL A 95 10.195 11.349 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.612 11.001 -1.569 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.077 12.549 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 95 12.370 11.149 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.046 9.048 -1.600 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.799 9.213 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.400 9.220 -0.945 1.00 0.00 H new ATOM 1425 N ILE A 96 7.929 10.082 0.562 1.00 0.00 N ATOM 1426 CA ILE A 96 6.569 9.584 0.481 1.00 0.00 C ATOM 1427 C ILE A 96 5.651 10.422 1.367 1.00 0.00 C ATOM 1428 O ILE A 96 4.453 10.541 1.101 1.00 0.00 O ATOM 1429 CB ILE A 96 6.520 8.130 0.925 1.00 0.00 C ATOM 1430 CG1 ILE A 96 7.080 7.238 -0.186 1.00 0.00 C ATOM 1431 CG2 ILE A 96 5.069 7.747 1.204 1.00 0.00 C ATOM 1432 CD1 ILE A 96 7.296 5.822 0.352 1.00 0.00 C ATOM 0 H ILE A 96 8.576 9.491 1.084 1.00 0.00 H new ATOM 0 HA ILE A 96 6.231 9.655 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 96 7.117 7.998 1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.391 7.216 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 96 8.022 7.646 -0.554 1.00 0.00 H new ATOM 0 HG21 ILE A 96 5.022 6.706 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 96 4.669 8.386 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.478 7.875 0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 96 7.695 5.189 -0.440 1.00 0.00 H new ATOM 0 HD12 ILE A 96 8.002 5.852 1.182 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.346 5.415 0.698 1.00 0.00 H new ATOM 1444 N LYS A 97 6.222 11.012 2.416 1.00 0.00 N ATOM 1445 CA LYS A 97 5.445 11.844 3.326 1.00 0.00 C ATOM 1446 C LYS A 97 5.024 13.123 2.615 1.00 0.00 C ATOM 1447 O LYS A 97 3.978 13.701 2.911 1.00 0.00 O ATOM 1448 CB LYS A 97 6.276 12.188 4.566 1.00 0.00 C ATOM 1449 CG LYS A 97 5.378 12.192 5.807 1.00 0.00 C ATOM 1450 CD LYS A 97 4.277 13.242 5.640 1.00 0.00 C ATOM 1451 CE LYS A 97 3.761 13.665 7.017 1.00 0.00 C ATOM 1452 NZ LYS A 97 2.681 14.678 6.853 1.00 0.00 N ATOM 0 H LYS A 97 7.211 10.929 2.653 1.00 0.00 H new ATOM 0 HA LYS A 97 4.557 11.295 3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.080 11.462 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.745 13.164 4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.936 11.206 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.970 12.409 6.696 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.664 14.108 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.460 12.836 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.382 12.798 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.576 14.079 7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.330 14.966 7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.057 15.509 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.901 14.267 6.302 1.00 0.00 H new ATOM 1466 N VAL A 98 5.844 13.544 1.661 1.00 0.00 N ATOM 1467 CA VAL A 98 5.554 14.740 0.890 1.00 0.00 C ATOM 1468 C VAL A 98 4.473 14.432 -0.138 1.00 0.00 C ATOM 1469 O VAL A 98 3.351 14.934 -0.048 1.00 0.00 O ATOM 1470 CB VAL A 98 6.823 15.197 0.189 1.00 0.00 C ATOM 1471 CG1 VAL A 98 6.479 16.152 -0.953 1.00 0.00 C ATOM 1472 CG2 VAL A 98 7.725 15.898 1.203 1.00 0.00 C ATOM 0 H VAL A 98 6.713 13.075 1.405 1.00 0.00 H new ATOM 0 HA VAL A 98 5.199 15.531 1.550 1.00 0.00 H new ATOM 0 HB VAL A 98 7.341 14.333 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.396 16.473 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.837 15.643 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.958 17.023 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.638 16.230 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 98 7.204 16.760 1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.977 15.205 2.006 1.00 0.00 H new ATOM 1482 N ILE A 99 4.821 13.584 -1.097 1.00 0.00 N ATOM 1483 CA ILE A 99 3.883 13.170 -2.134 1.00 0.00 C ATOM 1484 C ILE A 99 2.498 12.970 -1.526 1.00 0.00 C ATOM 1485 O ILE A 99 1.482 13.281 -2.150 1.00 0.00 O ATOM 1486 CB ILE A 99 4.398 11.870 -2.768 1.00 0.00 C ATOM 1487 CG1 ILE A 99 5.201 12.209 -4.026 1.00 0.00 C ATOM 1488 CG2 ILE A 99 3.235 10.951 -3.144 1.00 0.00 C ATOM 1489 CD1 ILE A 99 6.344 13.158 -3.660 1.00 0.00 C ATOM 0 H ILE A 99 5.749 13.168 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 99 3.805 13.937 -2.904 1.00 0.00 H new ATOM 0 HB ILE A 99 5.029 11.354 -2.045 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.599 11.298 -4.473 1.00 0.00 H new ATOM 0 HG13 ILE A 99 4.553 12.672 -4.770 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.624 10.036 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.663 10.703 -2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 99 2.587 11.458 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.917 13.400 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.934 14.073 -3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.996 12.678 -2.931 1.00 0.00 H new ATOM 1501 N HIS A 100 2.468 12.463 -0.298 1.00 0.00 N ATOM 1502 CA HIS A 100 1.205 12.241 0.392 1.00 0.00 C ATOM 1503 C HIS A 100 0.536 13.578 0.698 1.00 0.00 C ATOM 1504 O HIS A 100 -0.590 13.832 0.273 1.00 0.00 O ATOM 1505 CB HIS A 100 1.448 11.479 1.697 1.00 0.00 C ATOM 1506 CG HIS A 100 0.134 11.202 2.375 1.00 0.00 C ATOM 1507 ND1 HIS A 100 -0.614 10.057 2.492 1.00 0.00 N flip ATOM 1508 CD2 HIS A 100 -0.574 12.185 3.049 1.00 0.00 C flip ATOM 1509 CE1 HIS A 100 -1.767 10.322 3.225 1.00 0.00 C flip ATOM 1510 NE2 HIS A 100 -1.693 11.619 3.536 1.00 0.00 N flip ATOM 0 H HIS A 100 3.297 12.200 0.235 1.00 0.00 H new ATOM 0 HA HIS A 100 0.552 11.651 -0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.967 10.543 1.491 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.092 12.062 2.355 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -0.280 13.218 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -2.553 9.628 3.486 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -2.399 12.119 4.077 1.00 0.00 H new ATOM 1519 N GLY A 101 1.241 14.424 1.444 1.00 0.00 N ATOM 1520 CA GLY A 101 0.723 15.729 1.816 1.00 0.00 C ATOM 1521 C GLY A 101 -0.071 16.363 0.688 1.00 0.00 C ATOM 1522 O GLY A 101 -1.188 16.840 0.887 1.00 0.00 O ATOM 0 H GLY A 101 2.175 14.224 1.802 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.088 15.631 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.550 16.384 2.091 1.00 0.00 H new ATOM 1526 N LYS A 102 0.520 16.363 -0.489 1.00 0.00 N ATOM 1527 CA LYS A 102 -0.127 16.945 -1.666 1.00 0.00 C ATOM 1528 C LYS A 102 -1.394 16.171 -2.013 1.00 0.00 C ATOM 1529 O LYS A 102 -2.496 16.701 -1.905 1.00 0.00 O ATOM 1530 CB LYS A 102 0.840 16.928 -2.853 1.00 0.00 C ATOM 1531 CG LYS A 102 0.236 17.714 -4.022 1.00 0.00 C ATOM 1532 CD LYS A 102 0.116 19.200 -3.660 1.00 0.00 C ATOM 1533 CE LYS A 102 0.483 20.054 -4.875 1.00 0.00 C ATOM 1534 NZ LYS A 102 0.319 21.496 -4.533 1.00 0.00 N ATOM 0 H LYS A 102 1.445 15.970 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.400 17.976 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 102 1.795 17.366 -2.563 1.00 0.00 H new ATOM 0 HB3 LYS A 102 1.040 15.901 -3.157 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.860 17.598 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.747 17.313 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -0.901 19.425 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 102 0.775 19.436 -2.824 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.511 19.855 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.153 19.795 -5.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.568 22.079 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -0.669 21.679 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 0.944 21.737 -3.737 1.00 0.00 H new ATOM 1548 N LEU A 103 -1.241 14.914 -2.425 1.00 0.00 N ATOM 1549 CA LEU A 103 -2.408 14.099 -2.757 1.00 0.00 C ATOM 1550 C LEU A 103 -3.524 14.367 -1.750 1.00 0.00 C ATOM 1551 O LEU A 103 -4.626 14.778 -2.117 1.00 0.00 O ATOM 1552 CB LEU A 103 -2.038 12.622 -2.717 1.00 0.00 C ATOM 1553 CG LEU A 103 -3.222 11.784 -3.207 1.00 0.00 C ATOM 1554 CD1 LEU A 103 -2.864 11.111 -4.533 1.00 0.00 C ATOM 1555 CD2 LEU A 103 -3.555 10.722 -2.156 1.00 0.00 C ATOM 0 H LEU A 103 -0.342 14.446 -2.535 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.749 14.359 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.165 12.438 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.769 12.331 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.088 12.427 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.709 10.515 -4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.629 11.873 -5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.998 10.464 -4.391 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.398 10.122 -2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.689 10.078 -2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -3.816 11.209 -1.216 1.00 0.00 H new ATOM 1567 N LEU A 104 -3.213 14.153 -0.477 1.00 0.00 N ATOM 1568 CA LEU A 104 -4.169 14.394 0.592 1.00 0.00 C ATOM 1569 C LEU A 104 -4.832 15.755 0.387 1.00 0.00 C ATOM 1570 O LEU A 104 -6.042 15.904 0.544 1.00 0.00 O ATOM 1571 CB LEU A 104 -3.427 14.293 1.948 1.00 0.00 C ATOM 1572 CG LEU A 104 -3.542 15.579 2.764 1.00 0.00 C ATOM 1573 CD1 LEU A 104 -4.991 15.766 3.181 1.00 0.00 C ATOM 1574 CD2 LEU A 104 -2.672 15.466 4.017 1.00 0.00 C ATOM 0 H LEU A 104 -2.305 13.813 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.963 13.648 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.835 13.462 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.375 14.071 1.769 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.211 16.427 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.086 16.682 3.765 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.619 15.835 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.308 14.916 3.785 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.753 16.383 4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.009 14.622 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.633 15.312 3.726 1.00 0.00 H new ATOM 1586 N ASP A 105 -4.022 16.738 0.050 1.00 0.00 N ATOM 1587 CA ASP A 105 -4.501 18.091 -0.168 1.00 0.00 C ATOM 1588 C ASP A 105 -5.489 18.130 -1.325 1.00 0.00 C ATOM 1589 O ASP A 105 -6.425 18.931 -1.338 1.00 0.00 O ATOM 1590 CB ASP A 105 -3.302 18.978 -0.476 1.00 0.00 C ATOM 1591 CG ASP A 105 -3.399 19.533 -1.894 1.00 0.00 C ATOM 1592 OD1 ASP A 105 -3.121 18.791 -2.821 1.00 0.00 O ATOM 1593 OD2 ASP A 105 -3.751 20.693 -2.031 1.00 0.00 O ATOM 0 H ASP A 105 -3.017 16.624 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 105 -5.015 18.447 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.256 19.799 0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.381 18.406 -0.365 1.00 0.00 H new ATOM 1676 N GLN A 111 -12.161 9.136 3.323 1.00 0.00 N ATOM 1677 CA GLN A 111 -11.337 8.018 3.765 1.00 0.00 C ATOM 1678 C GLN A 111 -11.127 7.015 2.635 1.00 0.00 C ATOM 1679 O GLN A 111 -12.089 6.506 2.058 1.00 0.00 O ATOM 1680 CB GLN A 111 -11.992 7.321 4.952 1.00 0.00 C ATOM 1681 CG GLN A 111 -12.399 8.365 5.994 1.00 0.00 C ATOM 1682 CD GLN A 111 -12.661 7.691 7.335 1.00 0.00 C ATOM 1683 OE1 GLN A 111 -13.812 7.452 7.697 1.00 0.00 O ATOM 1684 NE2 GLN A 111 -11.654 7.368 8.101 1.00 0.00 N ATOM 0 HA GLN A 111 -10.366 8.412 4.066 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -12.867 6.761 4.621 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -11.301 6.602 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -11.611 9.110 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -13.293 8.892 5.662 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -10.700 7.567 7.800 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -11.822 6.917 9.000 1.00 0.00 H new ATOM 1693 N ILE A 112 -9.863 6.732 2.332 1.00 0.00 N ATOM 1694 CA ILE A 112 -9.528 5.782 1.276 1.00 0.00 C ATOM 1695 C ILE A 112 -8.515 4.759 1.803 1.00 0.00 C ATOM 1696 O ILE A 112 -7.667 5.109 2.614 1.00 0.00 O ATOM 1697 CB ILE A 112 -8.928 6.523 0.080 1.00 0.00 C ATOM 1698 CG1 ILE A 112 -8.475 7.918 0.523 1.00 0.00 C ATOM 1699 CG2 ILE A 112 -9.981 6.657 -1.020 1.00 0.00 C ATOM 1700 CD1 ILE A 112 -7.614 8.549 -0.572 1.00 0.00 C ATOM 0 H ILE A 112 -9.057 7.145 2.801 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.435 5.266 0.962 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.074 5.964 -0.302 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.343 8.546 0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.908 7.850 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -9.552 7.185 -1.872 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.307 5.666 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -10.836 7.216 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -7.293 9.541 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.739 7.924 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.196 8.632 -1.490 1.00 0.00 H new ATOM 1712 N PRO A 113 -8.569 3.513 1.379 1.00 0.00 N ATOM 1713 CA PRO A 113 -7.601 2.481 1.856 1.00 0.00 C ATOM 1714 C PRO A 113 -6.148 2.952 1.761 1.00 0.00 C ATOM 1715 O PRO A 113 -5.617 3.122 0.662 1.00 0.00 O ATOM 1716 CB PRO A 113 -7.823 1.287 0.926 1.00 0.00 C ATOM 1717 CG PRO A 113 -9.166 1.472 0.304 1.00 0.00 C ATOM 1718 CD PRO A 113 -9.540 2.952 0.423 1.00 0.00 C ATOM 0 HA PRO A 113 -7.767 2.249 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.046 1.241 0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -7.780 0.350 1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -9.147 1.166 -0.742 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -9.907 0.850 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.479 3.454 -0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -10.562 3.074 0.781 1.00 0.00 H new ATOM 1726 N ILE A 114 -5.501 3.131 2.915 1.00 0.00 N ATOM 1727 CA ILE A 114 -4.104 3.546 2.947 1.00 0.00 C ATOM 1728 C ILE A 114 -3.314 2.523 3.751 1.00 0.00 C ATOM 1729 O ILE A 114 -3.737 2.111 4.836 1.00 0.00 O ATOM 1730 CB ILE A 114 -3.956 4.939 3.575 1.00 0.00 C ATOM 1731 CG1 ILE A 114 -4.893 5.930 2.880 1.00 0.00 C ATOM 1732 CG2 ILE A 114 -2.520 5.428 3.410 1.00 0.00 C ATOM 1733 CD1 ILE A 114 -5.877 6.511 3.899 1.00 0.00 C ATOM 0 H ILE A 114 -5.923 2.995 3.834 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.722 3.601 1.928 1.00 0.00 H new ATOM 0 HB ILE A 114 -4.209 4.873 4.633 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -4.314 6.732 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -5.437 5.430 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -2.419 6.417 3.857 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -1.840 4.735 3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -2.274 5.482 2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -6.543 7.216 3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -6.465 5.705 4.338 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -5.325 7.026 4.685 1.00 0.00 H new ATOM 1745 N MET A 115 -2.181 2.103 3.208 1.00 0.00 N ATOM 1746 CA MET A 115 -1.362 1.110 3.880 1.00 0.00 C ATOM 1747 C MET A 115 0.104 1.504 3.905 1.00 0.00 C ATOM 1748 O MET A 115 0.763 1.567 2.867 1.00 0.00 O ATOM 1749 CB MET A 115 -1.505 -0.232 3.165 1.00 0.00 C ATOM 1750 CG MET A 115 -0.998 -1.342 4.073 1.00 0.00 C ATOM 1751 SD MET A 115 -2.311 -1.799 5.222 1.00 0.00 S ATOM 1752 CE MET A 115 -1.321 -2.912 6.233 1.00 0.00 C ATOM 0 H MET A 115 -1.813 2.430 2.315 1.00 0.00 H new ATOM 0 HA MET A 115 -1.709 1.037 4.911 1.00 0.00 H new ATOM 0 HB2 MET A 115 -2.548 -0.408 2.904 1.00 0.00 H new ATOM 0 HB3 MET A 115 -0.940 -0.222 2.233 1.00 0.00 H new ATOM 0 HG2 MET A 115 -0.697 -2.206 3.481 1.00 0.00 H new ATOM 0 HG3 MET A 115 -0.117 -1.008 4.621 1.00 0.00 H new ATOM 0 HE1 MET A 115 -1.929 -3.299 7.051 1.00 0.00 H new ATOM 0 HE2 MET A 115 -0.967 -3.741 5.621 1.00 0.00 H new ATOM 0 HE3 MET A 115 -0.467 -2.371 6.640 1.00 0.00 H new ATOM 1762 N LEU A 116 0.618 1.733 5.106 1.00 0.00 N ATOM 1763 CA LEU A 116 2.005 2.076 5.273 1.00 0.00 C ATOM 1764 C LEU A 116 2.771 0.824 5.620 1.00 0.00 C ATOM 1765 O LEU A 116 2.795 0.395 6.768 1.00 0.00 O ATOM 1766 CB LEU A 116 2.137 3.046 6.408 1.00 0.00 C ATOM 1767 CG LEU A 116 1.983 4.466 5.869 1.00 0.00 C ATOM 1768 CD1 LEU A 116 1.411 5.343 6.962 1.00 0.00 C ATOM 1769 CD2 LEU A 116 3.344 5.006 5.449 1.00 0.00 C ATOM 0 H LEU A 116 0.086 1.685 5.975 1.00 0.00 H new ATOM 0 HA LEU A 116 2.393 2.520 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.378 2.846 7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.107 2.930 6.891 1.00 0.00 H new ATOM 0 HG LEU A 116 1.317 4.462 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.296 6.361 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.439 4.956 7.267 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.086 5.344 7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.230 6.020 5.065 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.013 5.017 6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.764 4.368 4.671 1.00 0.00 H new ATOM 1781 N VAL A 117 3.372 0.230 4.621 1.00 0.00 N ATOM 1782 CA VAL A 117 4.110 -0.993 4.827 1.00 0.00 C ATOM 1783 C VAL A 117 5.595 -0.748 4.871 1.00 0.00 C ATOM 1784 O VAL A 117 6.170 -0.148 3.975 1.00 0.00 O ATOM 1785 CB VAL A 117 3.777 -1.984 3.726 1.00 0.00 C ATOM 1786 CG1 VAL A 117 4.445 -3.322 4.023 1.00 0.00 C ATOM 1787 CG2 VAL A 117 2.273 -2.164 3.704 1.00 0.00 C ATOM 0 H VAL A 117 3.366 0.570 3.660 1.00 0.00 H new ATOM 0 HA VAL A 117 3.816 -1.404 5.793 1.00 0.00 H new ATOM 0 HB VAL A 117 4.134 -1.619 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 117 4.205 -4.032 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 117 5.525 -3.186 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 117 4.083 -3.706 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.003 -2.872 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 117 1.938 -2.544 4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 117 1.795 -1.205 3.506 1.00 0.00 H new ATOM 1797 N GLY A 118 6.206 -1.246 5.918 1.00 0.00 N ATOM 1798 CA GLY A 118 7.648 -1.108 6.081 1.00 0.00 C ATOM 1799 C GLY A 118 8.323 -2.355 5.536 1.00 0.00 C ATOM 1800 O GLY A 118 8.118 -3.450 6.043 1.00 0.00 O ATOM 0 H GLY A 118 5.738 -1.750 6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 118 8.005 -0.224 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 118 7.898 -0.973 7.133 1.00 0.00 H new ATOM 1804 N ASN A 119 9.095 -2.194 4.470 1.00 0.00 N ATOM 1805 CA ASN A 119 9.735 -3.345 3.853 1.00 0.00 C ATOM 1806 C ASN A 119 11.174 -3.521 4.326 1.00 0.00 C ATOM 1807 O ASN A 119 11.721 -2.678 5.036 1.00 0.00 O ATOM 1808 CB ASN A 119 9.716 -3.203 2.329 1.00 0.00 C ATOM 1809 CG ASN A 119 10.104 -4.526 1.679 1.00 0.00 C ATOM 1810 OD1 ASN A 119 9.573 -5.577 2.041 1.00 0.00 O ATOM 1811 ND2 ASN A 119 11.004 -4.539 0.733 1.00 0.00 N ATOM 0 H ASN A 119 9.290 -1.298 4.023 1.00 0.00 H new ATOM 0 HA ASN A 119 9.171 -4.228 4.153 1.00 0.00 H new ATOM 0 HB2 ASN A 119 8.723 -2.902 1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.408 -2.419 2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.268 -5.420 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.443 -3.668 0.434 1.00 0.00 H new ATOM 1818 N LYS A 120 11.764 -4.647 3.936 1.00 0.00 N ATOM 1819 CA LYS A 120 13.135 -4.972 4.326 1.00 0.00 C ATOM 1820 C LYS A 120 13.222 -5.087 5.842 1.00 0.00 C ATOM 1821 O LYS A 120 14.009 -4.399 6.488 1.00 0.00 O ATOM 1822 CB LYS A 120 14.107 -3.898 3.830 1.00 0.00 C ATOM 1823 CG LYS A 120 13.865 -3.624 2.343 1.00 0.00 C ATOM 1824 CD LYS A 120 14.879 -2.579 1.856 1.00 0.00 C ATOM 1825 CE LYS A 120 15.964 -3.235 0.992 1.00 0.00 C ATOM 1826 NZ LYS A 120 15.482 -3.351 -0.413 1.00 0.00 N ATOM 0 H LYS A 120 11.315 -5.351 3.350 1.00 0.00 H new ATOM 0 HA LYS A 120 13.411 -5.924 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 120 13.974 -2.981 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 120 15.135 -4.225 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 120 13.968 -4.545 1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 120 12.848 -3.263 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 120 14.366 -1.808 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 120 15.339 -2.085 2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 120 16.878 -2.642 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 120 16.209 -4.221 1.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 15.981 -4.130 -0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.460 -3.542 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 15.668 -2.461 -0.919 1.00 0.00 H new ATOM 1840 N LYS A 121 12.382 -5.950 6.399 1.00 0.00 N ATOM 1841 CA LYS A 121 12.325 -6.146 7.844 1.00 0.00 C ATOM 1842 C LYS A 121 13.672 -6.561 8.436 1.00 0.00 C ATOM 1843 O LYS A 121 13.884 -6.406 9.635 1.00 0.00 O ATOM 1844 CB LYS A 121 11.276 -7.209 8.178 1.00 0.00 C ATOM 1845 CG LYS A 121 10.956 -7.170 9.676 1.00 0.00 C ATOM 1846 CD LYS A 121 9.737 -8.049 9.960 1.00 0.00 C ATOM 1847 CE LYS A 121 10.057 -9.012 11.103 1.00 0.00 C ATOM 1848 NZ LYS A 121 11.065 -10.009 10.644 1.00 0.00 N ATOM 0 H LYS A 121 11.728 -6.528 5.871 1.00 0.00 H new ATOM 0 HA LYS A 121 12.055 -5.188 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 121 10.370 -7.033 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 121 11.645 -8.197 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 121 11.813 -7.521 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 121 10.760 -6.145 9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 121 8.881 -7.428 10.223 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.462 -8.608 9.066 1.00 0.00 H new ATOM 0 HE2 LYS A 121 10.440 -8.460 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.150 -9.520 11.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.980 -10.876 11.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.899 -10.234 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 12.020 -9.614 10.756 1.00 0.00 H new ATOM 1862 N ASP A 122 14.575 -7.093 7.620 1.00 0.00 N ATOM 1863 CA ASP A 122 15.872 -7.515 8.145 1.00 0.00 C ATOM 1864 C ASP A 122 16.780 -6.314 8.388 1.00 0.00 C ATOM 1865 O ASP A 122 17.724 -6.393 9.174 1.00 0.00 O ATOM 1866 CB ASP A 122 16.552 -8.504 7.199 1.00 0.00 C ATOM 1867 CG ASP A 122 16.487 -8.004 5.767 1.00 0.00 C ATOM 1868 OD1 ASP A 122 15.425 -8.112 5.172 1.00 0.00 O ATOM 1869 OD2 ASP A 122 17.504 -7.538 5.275 1.00 0.00 O ATOM 0 H ASP A 122 14.442 -7.240 6.620 1.00 0.00 H new ATOM 0 HA ASP A 122 15.694 -8.014 9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 122 17.592 -8.642 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 122 16.068 -9.478 7.272 1.00 0.00 H new ATOM 1874 N LEU A 123 16.480 -5.194 7.736 1.00 0.00 N ATOM 1875 CA LEU A 123 17.270 -3.989 7.928 1.00 0.00 C ATOM 1876 C LEU A 123 16.854 -3.357 9.241 1.00 0.00 C ATOM 1877 O LEU A 123 17.671 -2.747 9.930 1.00 0.00 O ATOM 1878 CB LEU A 123 17.072 -3.013 6.761 1.00 0.00 C ATOM 1879 CG LEU A 123 18.047 -3.353 5.632 1.00 0.00 C ATOM 1880 CD1 LEU A 123 17.791 -4.776 5.164 1.00 0.00 C ATOM 1881 CD2 LEU A 123 17.837 -2.389 4.462 1.00 0.00 C ATOM 0 H LEU A 123 15.705 -5.099 7.079 1.00 0.00 H new ATOM 0 HA LEU A 123 18.330 -4.240 7.957 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.046 -3.069 6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 123 17.235 -1.990 7.099 1.00 0.00 H new ATOM 0 HG LEU A 123 19.071 -3.262 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.483 -5.024 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 123 17.939 -5.465 5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 123 16.767 -4.861 4.801 1.00 0.00 H new ATOM 0 HD21 LEU A 123 18.533 -2.634 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 123 16.814 -2.479 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 123 18.014 -1.367 4.797 1.00 0.00 H new ATOM 1893 N HIS A 124 15.572 -3.537 9.584 1.00 0.00 N ATOM 1894 CA HIS A 124 15.030 -3.024 10.835 1.00 0.00 C ATOM 1895 C HIS A 124 16.093 -3.011 11.927 1.00 0.00 C ATOM 1896 O HIS A 124 16.092 -2.134 12.787 1.00 0.00 O ATOM 1897 CB HIS A 124 13.863 -3.900 11.288 1.00 0.00 C ATOM 1898 CG HIS A 124 14.372 -5.097 12.048 1.00 0.00 C ATOM 1899 ND1 HIS A 124 15.327 -6.042 11.756 1.00 0.00 N flip ATOM 1900 CD2 HIS A 124 13.866 -5.445 13.291 1.00 0.00 C flip ATOM 1901 CE1 HIS A 124 15.408 -6.962 12.798 1.00 0.00 C flip ATOM 1902 NE2 HIS A 124 14.508 -6.556 13.696 1.00 0.00 N flip ATOM 0 H HIS A 124 14.895 -4.036 9.007 1.00 0.00 H new ATOM 0 HA HIS A 124 14.689 -2.003 10.663 1.00 0.00 H new ATOM 0 HB2 HIS A 124 13.188 -3.321 11.918 1.00 0.00 H new ATOM 0 HB3 HIS A 124 13.288 -4.228 10.422 1.00 0.00 H new ATOM 0 HD2 HIS A 124 13.096 -4.919 13.836 1.00 0.00 H new ATOM 0 HE1 HIS A 124 16.060 -7.821 12.865 1.00 0.00 H new ATOM 0 HE2 HIS A 124 14.329 -7.030 14.581 1.00 0.00 H new ATOM 1911 N MET A 125 17.012 -3.977 11.879 1.00 0.00 N ATOM 1912 CA MET A 125 18.081 -4.032 12.870 1.00 0.00 C ATOM 1913 C MET A 125 18.597 -2.624 13.110 1.00 0.00 C ATOM 1914 O MET A 125 19.091 -2.298 14.190 1.00 0.00 O ATOM 1915 CB MET A 125 19.222 -4.920 12.375 1.00 0.00 C ATOM 1916 CG MET A 125 18.819 -6.391 12.489 1.00 0.00 C ATOM 1917 SD MET A 125 19.664 -7.138 13.904 1.00 0.00 S ATOM 1918 CE MET A 125 18.192 -7.479 14.898 1.00 0.00 C ATOM 0 H MET A 125 17.037 -4.717 11.178 1.00 0.00 H new ATOM 0 HA MET A 125 17.693 -4.453 13.797 1.00 0.00 H new ATOM 0 HB2 MET A 125 19.461 -4.678 11.339 1.00 0.00 H new ATOM 0 HB3 MET A 125 20.122 -4.733 12.962 1.00 0.00 H new ATOM 0 HG2 MET A 125 17.739 -6.475 12.610 1.00 0.00 H new ATOM 0 HG3 MET A 125 19.079 -6.923 11.574 1.00 0.00 H new ATOM 0 HE1 MET A 125 18.491 -7.885 15.864 1.00 0.00 H new ATOM 0 HE2 MET A 125 17.633 -6.555 15.050 1.00 0.00 H new ATOM 0 HE3 MET A 125 17.563 -8.203 14.380 1.00 0.00 H new ATOM 1928 N GLU A 126 18.455 -1.791 12.085 1.00 0.00 N ATOM 1929 CA GLU A 126 18.881 -0.412 12.156 1.00 0.00 C ATOM 1930 C GLU A 126 17.666 0.489 12.397 1.00 0.00 C ATOM 1931 O GLU A 126 17.744 1.480 13.124 1.00 0.00 O ATOM 1932 CB GLU A 126 19.587 -0.075 10.840 1.00 0.00 C ATOM 1933 CG GLU A 126 18.757 0.881 9.984 1.00 0.00 C ATOM 1934 CD GLU A 126 19.449 1.106 8.644 1.00 0.00 C ATOM 1935 OE1 GLU A 126 19.305 0.260 7.777 1.00 0.00 O ATOM 1936 OE2 GLU A 126 20.110 2.121 8.506 1.00 0.00 O ATOM 0 H GLU A 126 18.043 -2.057 11.190 1.00 0.00 H new ATOM 0 HA GLU A 126 19.572 -0.251 12.984 1.00 0.00 H new ATOM 0 HB2 GLU A 126 20.557 0.375 11.052 1.00 0.00 H new ATOM 0 HB3 GLU A 126 19.776 -0.992 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 126 17.760 0.469 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 126 18.630 1.831 10.502 1.00 0.00 H new ATOM 1943 N ARG A 127 16.554 0.122 11.764 1.00 0.00 N ATOM 1944 CA ARG A 127 15.300 0.865 11.865 1.00 0.00 C ATOM 1945 C ARG A 127 15.549 2.354 12.046 1.00 0.00 C ATOM 1946 O ARG A 127 15.563 2.868 13.164 1.00 0.00 O ATOM 1947 CB ARG A 127 14.427 0.319 13.002 1.00 0.00 C ATOM 1948 CG ARG A 127 13.077 1.050 13.016 1.00 0.00 C ATOM 1949 CD ARG A 127 11.928 0.050 13.228 1.00 0.00 C ATOM 1950 NE ARG A 127 11.692 -0.732 12.013 1.00 0.00 N ATOM 1951 CZ ARG A 127 11.099 -1.928 12.065 1.00 0.00 C ATOM 1952 NH1 ARG A 127 10.463 -2.295 13.137 1.00 0.00 N ATOM 1953 NH2 ARG A 127 11.030 -2.668 10.995 1.00 0.00 N ATOM 0 H ARG A 127 16.497 -0.701 11.165 1.00 0.00 H new ATOM 0 HA ARG A 127 14.763 0.729 10.926 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.270 -0.752 12.871 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.933 0.452 13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 127 13.069 1.797 13.810 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.935 1.583 12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.168 -0.618 14.055 1.00 0.00 H new ATOM 0 HD3 ARG A 127 11.020 0.585 13.504 1.00 0.00 H new ATOM 0 HE ARG A 127 11.985 -0.357 11.111 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.416 -1.669 13.941 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.011 -3.209 13.174 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.429 -2.334 10.118 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.577 -3.581 11.035 1.00 0.00 H new ATOM 1967 N VAL A 128 15.736 3.039 10.922 1.00 0.00 N ATOM 1968 CA VAL A 128 15.977 4.476 10.941 1.00 0.00 C ATOM 1969 C VAL A 128 14.692 5.220 11.288 1.00 0.00 C ATOM 1970 O VAL A 128 14.717 6.247 11.968 1.00 0.00 O ATOM 1971 CB VAL A 128 16.489 4.922 9.573 1.00 0.00 C ATOM 1972 CG1 VAL A 128 17.717 4.112 9.218 1.00 0.00 C ATOM 1973 CG2 VAL A 128 15.413 4.680 8.512 1.00 0.00 C ATOM 0 H VAL A 128 15.725 2.623 9.991 1.00 0.00 H new ATOM 0 HA VAL A 128 16.726 4.705 11.699 1.00 0.00 H new ATOM 0 HB VAL A 128 16.733 5.984 9.608 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.089 4.424 8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 128 18.489 4.274 9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 128 17.458 3.054 9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 128 15.784 5.000 7.538 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.169 3.618 8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 128 14.518 5.249 8.765 1.00 0.00 H new ATOM 1983 N ILE A 129 13.570 4.682 10.826 1.00 0.00 N ATOM 1984 CA ILE A 129 12.269 5.285 11.100 1.00 0.00 C ATOM 1985 C ILE A 129 11.684 4.686 12.367 1.00 0.00 C ATOM 1986 O ILE A 129 12.017 3.567 12.741 1.00 0.00 O ATOM 1987 CB ILE A 129 11.314 5.053 9.924 1.00 0.00 C ATOM 1988 CG1 ILE A 129 10.106 5.999 10.027 1.00 0.00 C ATOM 1989 CG2 ILE A 129 10.822 3.605 9.956 1.00 0.00 C ATOM 1990 CD1 ILE A 129 10.552 7.452 9.852 1.00 0.00 C ATOM 0 H ILE A 129 13.533 3.833 10.262 1.00 0.00 H new ATOM 0 HA ILE A 129 12.400 6.359 11.235 1.00 0.00 H new ATOM 0 HB ILE A 129 11.842 5.249 8.991 1.00 0.00 H new ATOM 0 HG12 ILE A 129 9.370 5.743 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 129 9.620 5.875 10.995 1.00 0.00 H new ATOM 0 HG21 ILE A 129 10.142 3.433 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 129 11.674 2.929 9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 129 10.299 3.419 10.894 1.00 0.00 H new ATOM 0 HD11 ILE A 129 9.686 8.110 9.927 1.00 0.00 H new ATOM 0 HD12 ILE A 129 11.271 7.708 10.630 1.00 0.00 H new ATOM 0 HD13 ILE A 129 11.017 7.575 8.874 1.00 0.00 H new ATOM 2002 N SER A 130 10.828 5.437 13.043 1.00 0.00 N ATOM 2003 CA SER A 130 10.240 4.942 14.284 1.00 0.00 C ATOM 2004 C SER A 130 8.881 4.299 14.050 1.00 0.00 C ATOM 2005 O SER A 130 7.993 4.884 13.429 1.00 0.00 O ATOM 2006 CB SER A 130 10.091 6.076 15.290 1.00 0.00 C ATOM 2007 OG SER A 130 9.114 5.717 16.257 1.00 0.00 O ATOM 0 H SER A 130 10.528 6.371 12.764 1.00 0.00 H new ATOM 0 HA SER A 130 10.915 4.183 14.678 1.00 0.00 H new ATOM 0 HB2 SER A 130 11.046 6.274 15.777 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.796 6.994 14.781 1.00 0.00 H new ATOM 0 HG SER A 130 9.478 5.026 16.849 1.00 0.00 H new ATOM 2013 N TYR A 131 8.728 3.097 14.591 1.00 0.00 N ATOM 2014 CA TYR A 131 7.472 2.361 14.491 1.00 0.00 C ATOM 2015 C TYR A 131 6.334 3.274 14.920 1.00 0.00 C ATOM 2016 O TYR A 131 5.233 3.233 14.374 1.00 0.00 O ATOM 2017 CB TYR A 131 7.540 1.150 15.433 1.00 0.00 C ATOM 2018 CG TYR A 131 6.663 0.015 14.942 1.00 0.00 C ATOM 2019 CD1 TYR A 131 5.271 0.165 14.902 1.00 0.00 C ATOM 2020 CD2 TYR A 131 7.246 -1.200 14.555 1.00 0.00 C ATOM 2021 CE1 TYR A 131 4.463 -0.897 14.474 1.00 0.00 C ATOM 2022 CE2 TYR A 131 6.438 -2.260 14.127 1.00 0.00 C ATOM 2023 CZ TYR A 131 5.047 -2.110 14.088 1.00 0.00 C ATOM 2024 OH TYR A 131 4.252 -3.155 13.667 1.00 0.00 O ATOM 0 H TYR A 131 9.461 2.609 15.106 1.00 0.00 H new ATOM 0 HA TYR A 131 7.306 2.025 13.467 1.00 0.00 H new ATOM 0 HB2 TYR A 131 8.571 0.806 15.512 1.00 0.00 H new ATOM 0 HB3 TYR A 131 7.226 1.448 16.433 1.00 0.00 H new ATOM 0 HD1 TYR A 131 4.820 1.100 15.201 1.00 0.00 H new ATOM 0 HD2 TYR A 131 8.319 -1.318 14.587 1.00 0.00 H new ATOM 0 HE1 TYR A 131 3.390 -0.780 14.442 1.00 0.00 H new ATOM 0 HE2 TYR A 131 6.888 -3.194 13.827 1.00 0.00 H new ATOM 0 HH TYR A 131 4.816 -3.922 13.435 1.00 0.00 H new ATOM 2034 N GLU A 132 6.638 4.105 15.907 1.00 0.00 N ATOM 2035 CA GLU A 132 5.679 5.055 16.447 1.00 0.00 C ATOM 2036 C GLU A 132 5.362 6.134 15.431 1.00 0.00 C ATOM 2037 O GLU A 132 4.220 6.274 14.998 1.00 0.00 O ATOM 2038 CB GLU A 132 6.257 5.693 17.696 1.00 0.00 C ATOM 2039 CG GLU A 132 6.568 4.600 18.706 1.00 0.00 C ATOM 2040 CD GLU A 132 8.054 4.614 19.040 1.00 0.00 C ATOM 2041 OE1 GLU A 132 8.839 4.325 18.152 1.00 0.00 O ATOM 2042 OE2 GLU A 132 8.385 4.910 20.176 1.00 0.00 O ATOM 0 H GLU A 132 7.554 4.139 16.354 1.00 0.00 H new ATOM 0 HA GLU A 132 4.758 4.524 16.689 1.00 0.00 H new ATOM 0 HB2 GLU A 132 7.162 6.249 17.451 1.00 0.00 H new ATOM 0 HB3 GLU A 132 5.549 6.406 18.118 1.00 0.00 H new ATOM 0 HG2 GLU A 132 5.981 4.751 19.612 1.00 0.00 H new ATOM 0 HG3 GLU A 132 6.286 3.628 18.302 1.00 0.00 H new ATOM 2049 N GLU A 133 6.386 6.896 15.056 1.00 0.00 N ATOM 2050 CA GLU A 133 6.205 7.962 14.082 1.00 0.00 C ATOM 2051 C GLU A 133 5.284 7.492 12.975 1.00 0.00 C ATOM 2052 O GLU A 133 4.397 8.221 12.549 1.00 0.00 O ATOM 2053 CB GLU A 133 7.545 8.359 13.473 1.00 0.00 C ATOM 2054 CG GLU A 133 8.339 9.219 14.454 1.00 0.00 C ATOM 2055 CD GLU A 133 9.758 9.420 13.928 1.00 0.00 C ATOM 2056 OE1 GLU A 133 10.204 8.587 13.149 1.00 0.00 O ATOM 2057 OE2 GLU A 133 10.377 10.400 14.307 1.00 0.00 O ATOM 0 H GLU A 133 7.338 6.795 15.408 1.00 0.00 H new ATOM 0 HA GLU A 133 5.770 8.823 14.589 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.115 7.466 13.218 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.382 8.909 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 133 7.849 10.184 14.586 1.00 0.00 H new ATOM 0 HG3 GLU A 133 8.368 8.740 15.433 1.00 0.00 H new ATOM 2064 N GLY A 134 5.502 6.261 12.523 1.00 0.00 N ATOM 2065 CA GLY A 134 4.696 5.689 11.474 1.00 0.00 C ATOM 2066 C GLY A 134 3.302 5.386 11.974 1.00 0.00 C ATOM 2067 O GLY A 134 2.323 5.539 11.251 1.00 0.00 O ATOM 0 H GLY A 134 6.236 5.646 12.875 1.00 0.00 H new ATOM 0 HA2 GLY A 134 4.643 6.379 10.632 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.163 4.775 11.108 1.00 0.00 H new ATOM 2071 N LYS A 135 3.229 4.966 13.220 1.00 0.00 N ATOM 2072 CA LYS A 135 1.950 4.647 13.832 1.00 0.00 C ATOM 2073 C LYS A 135 1.074 5.890 13.876 1.00 0.00 C ATOM 2074 O LYS A 135 -0.057 5.875 13.400 1.00 0.00 O ATOM 2075 CB LYS A 135 2.158 4.115 15.251 1.00 0.00 C ATOM 2076 CG LYS A 135 1.060 3.102 15.584 1.00 0.00 C ATOM 2077 CD LYS A 135 -0.310 3.770 15.448 1.00 0.00 C ATOM 2078 CE LYS A 135 -1.347 2.974 16.243 1.00 0.00 C ATOM 2079 NZ LYS A 135 -1.485 3.561 17.606 1.00 0.00 N ATOM 0 H LYS A 135 4.036 4.837 13.830 1.00 0.00 H new ATOM 0 HA LYS A 135 1.459 3.879 13.235 1.00 0.00 H new ATOM 0 HB2 LYS A 135 3.138 3.645 15.334 1.00 0.00 H new ATOM 0 HB3 LYS A 135 2.137 4.938 15.966 1.00 0.00 H new ATOM 0 HG2 LYS A 135 1.126 2.245 14.914 1.00 0.00 H new ATOM 0 HG3 LYS A 135 1.194 2.725 16.598 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.264 4.796 15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.600 3.819 14.398 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -2.308 2.992 15.729 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.043 1.930 16.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -2.190 3.020 18.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.568 3.522 18.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.794 4.551 17.528 1.00 0.00 H new ATOM 2093 N ALA A 136 1.612 6.965 14.446 1.00 0.00 N ATOM 2094 CA ALA A 136 0.876 8.221 14.547 1.00 0.00 C ATOM 2095 C ALA A 136 0.464 8.719 13.165 1.00 0.00 C ATOM 2096 O ALA A 136 -0.633 9.249 12.989 1.00 0.00 O ATOM 2097 CB ALA A 136 1.746 9.276 15.232 1.00 0.00 C ATOM 0 H ALA A 136 2.551 6.991 14.843 1.00 0.00 H new ATOM 0 HA ALA A 136 -0.024 8.047 15.137 1.00 0.00 H new ATOM 0 HB1 ALA A 136 1.193 10.212 15.305 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.014 8.934 16.232 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.652 9.435 14.648 1.00 0.00 H new ATOM 2103 N LEU A 137 1.343 8.538 12.186 1.00 0.00 N ATOM 2104 CA LEU A 137 1.066 8.957 10.835 1.00 0.00 C ATOM 2105 C LEU A 137 -0.074 8.123 10.266 1.00 0.00 C ATOM 2106 O LEU A 137 -1.129 8.648 9.898 1.00 0.00 O ATOM 2107 CB LEU A 137 2.341 8.744 10.031 1.00 0.00 C ATOM 2108 CG LEU A 137 2.602 9.919 9.088 1.00 0.00 C ATOM 2109 CD1 LEU A 137 3.931 9.707 8.360 1.00 0.00 C ATOM 2110 CD2 LEU A 137 1.480 10.004 8.076 1.00 0.00 C ATOM 0 H LEU A 137 2.256 8.101 12.313 1.00 0.00 H new ATOM 0 HA LEU A 137 0.765 10.004 10.797 1.00 0.00 H new ATOM 0 HB2 LEU A 137 3.186 8.624 10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 137 2.261 7.822 9.455 1.00 0.00 H new ATOM 0 HG LEU A 137 2.649 10.844 9.662 1.00 0.00 H new ATOM 0 HD11 LEU A 137 4.116 10.545 7.688 1.00 0.00 H new ATOM 0 HD12 LEU A 137 4.739 9.641 9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 137 3.887 8.783 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.661 10.840 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.436 9.078 7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.533 10.155 8.594 1.00 0.00 H new ATOM 2122 N ALA A 138 0.150 6.821 10.201 1.00 0.00 N ATOM 2123 CA ALA A 138 -0.856 5.913 9.680 1.00 0.00 C ATOM 2124 C ALA A 138 -2.188 6.149 10.387 1.00 0.00 C ATOM 2125 O ALA A 138 -3.245 6.089 9.766 1.00 0.00 O ATOM 2126 CB ALA A 138 -0.408 4.453 9.853 1.00 0.00 C ATOM 0 H ALA A 138 1.015 6.372 10.501 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.983 6.107 8.615 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -1.175 3.788 9.457 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.526 4.293 9.314 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.256 4.242 10.912 1.00 0.00 H new ATOM 2132 N GLU A 139 -2.133 6.440 11.681 1.00 0.00 N ATOM 2133 CA GLU A 139 -3.343 6.699 12.439 1.00 0.00 C ATOM 2134 C GLU A 139 -3.970 8.018 11.988 1.00 0.00 C ATOM 2135 O GLU A 139 -5.183 8.201 12.077 1.00 0.00 O ATOM 2136 CB GLU A 139 -3.011 6.732 13.939 1.00 0.00 C ATOM 2137 CG GLU A 139 -3.864 7.775 14.650 1.00 0.00 C ATOM 2138 CD GLU A 139 -3.755 7.591 16.160 1.00 0.00 C ATOM 2139 OE1 GLU A 139 -4.473 6.759 16.689 1.00 0.00 O ATOM 2140 OE2 GLU A 139 -2.955 8.287 16.765 1.00 0.00 O ATOM 0 H GLU A 139 -1.270 6.501 12.221 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.065 5.902 12.260 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -3.186 5.750 14.378 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.954 6.960 14.079 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.536 8.777 14.372 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.904 7.682 14.337 1.00 0.00 H new ATOM 2147 N SER A 140 -3.131 8.938 11.518 1.00 0.00 N ATOM 2148 CA SER A 140 -3.615 10.241 11.074 1.00 0.00 C ATOM 2149 C SER A 140 -4.524 10.105 9.856 1.00 0.00 C ATOM 2150 O SER A 140 -5.610 10.684 9.817 1.00 0.00 O ATOM 2151 CB SER A 140 -2.431 11.143 10.727 1.00 0.00 C ATOM 2152 OG SER A 140 -2.296 11.219 9.314 1.00 0.00 O ATOM 0 H SER A 140 -2.123 8.807 11.435 1.00 0.00 H new ATOM 0 HA SER A 140 -4.191 10.683 11.887 1.00 0.00 H new ATOM 0 HB2 SER A 140 -2.584 12.139 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 140 -1.517 10.749 11.170 1.00 0.00 H new ATOM 0 HG SER A 140 -1.849 10.412 8.984 1.00 0.00 H new ATOM 2158 N TRP A 141 -4.085 9.332 8.868 1.00 0.00 N ATOM 2159 CA TRP A 141 -4.890 9.134 7.664 1.00 0.00 C ATOM 2160 C TRP A 141 -5.792 7.916 7.825 1.00 0.00 C ATOM 2161 O TRP A 141 -6.604 7.609 6.951 1.00 0.00 O ATOM 2162 CB TRP A 141 -3.997 8.936 6.441 1.00 0.00 C ATOM 2163 CG TRP A 141 -2.829 9.870 6.489 1.00 0.00 C ATOM 2164 CD1 TRP A 141 -1.534 9.481 6.476 1.00 0.00 C ATOM 2165 CD2 TRP A 141 -2.817 11.329 6.545 1.00 0.00 C ATOM 2166 NE1 TRP A 141 -0.730 10.605 6.522 1.00 0.00 N ATOM 2167 CE2 TRP A 141 -1.471 11.766 6.569 1.00 0.00 C ATOM 2168 CE3 TRP A 141 -3.829 12.309 6.582 1.00 0.00 C ATOM 2169 CZ2 TRP A 141 -1.140 13.120 6.625 1.00 0.00 C ATOM 2170 CZ3 TRP A 141 -3.499 13.672 6.639 1.00 0.00 C ATOM 2171 CH2 TRP A 141 -2.156 14.076 6.661 1.00 0.00 C ATOM 0 H TRP A 141 -3.192 8.839 8.874 1.00 0.00 H new ATOM 0 HA TRP A 141 -5.501 10.025 7.520 1.00 0.00 H new ATOM 0 HB2 TRP A 141 -3.645 7.905 6.404 1.00 0.00 H new ATOM 0 HB3 TRP A 141 -4.572 9.110 5.531 1.00 0.00 H new ATOM 0 HD1 TRP A 141 -1.185 8.460 6.436 1.00 0.00 H new ATOM 0 HE1 TRP A 141 0.290 10.578 6.521 1.00 0.00 H new ATOM 0 HE3 TRP A 141 -4.866 12.009 6.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 141 -0.104 13.426 6.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 141 -4.283 14.414 6.666 1.00 0.00 H new ATOM 0 HH2 TRP A 141 -1.908 15.126 6.706 1.00 0.00 H new ATOM 2182 N ASN A 142 -5.633 7.222 8.944 1.00 0.00 N ATOM 2183 CA ASN A 142 -6.422 6.024 9.225 1.00 0.00 C ATOM 2184 C ASN A 142 -5.855 4.836 8.460 1.00 0.00 C ATOM 2185 O ASN A 142 -6.563 3.880 8.148 1.00 0.00 O ATOM 2186 CB ASN A 142 -7.895 6.232 8.853 1.00 0.00 C ATOM 2187 CG ASN A 142 -8.784 5.650 9.945 1.00 0.00 C ATOM 2188 OD1 ASN A 142 -9.685 4.859 9.661 1.00 0.00 O ATOM 2189 ND2 ASN A 142 -8.581 5.996 11.189 1.00 0.00 N ATOM 0 H ASN A 142 -4.964 7.466 9.675 1.00 0.00 H new ATOM 0 HA ASN A 142 -6.367 5.824 10.295 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.103 7.295 8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -8.111 5.751 7.899 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -9.169 5.611 11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -7.834 6.651 11.421 1.00 0.00 H new ATOM 2196 N ALA A 143 -4.559 4.908 8.182 1.00 0.00 N ATOM 2197 CA ALA A 143 -3.864 3.849 7.472 1.00 0.00 C ATOM 2198 C ALA A 143 -3.348 2.825 8.461 1.00 0.00 C ATOM 2199 O ALA A 143 -3.357 3.063 9.670 1.00 0.00 O ATOM 2200 CB ALA A 143 -2.677 4.428 6.705 1.00 0.00 C ATOM 0 H ALA A 143 -3.967 5.697 8.441 1.00 0.00 H new ATOM 0 HA ALA A 143 -4.559 3.379 6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -2.161 3.627 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -3.033 5.167 5.988 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -1.989 4.903 7.404 1.00 0.00 H new ATOM 2206 N ALA A 144 -2.897 1.693 7.943 1.00 0.00 N ATOM 2207 CA ALA A 144 -2.368 0.639 8.806 1.00 0.00 C ATOM 2208 C ALA A 144 -0.860 0.472 8.608 1.00 0.00 C ATOM 2209 O ALA A 144 -0.378 0.339 7.484 1.00 0.00 O ATOM 2210 CB ALA A 144 -3.091 -0.664 8.523 1.00 0.00 C ATOM 0 H ALA A 144 -2.884 1.479 6.946 1.00 0.00 H new ATOM 0 HA ALA A 144 -2.536 0.922 9.845 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -2.694 -1.448 9.168 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -4.156 -0.539 8.717 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -2.943 -0.943 7.480 1.00 0.00 H new ATOM 2216 N PHE A 145 -0.125 0.512 9.718 1.00 0.00 N ATOM 2217 CA PHE A 145 1.330 0.401 9.695 1.00 0.00 C ATOM 2218 C PHE A 145 1.785 -1.031 10.005 1.00 0.00 C ATOM 2219 O PHE A 145 1.468 -1.575 11.063 1.00 0.00 O ATOM 2220 CB PHE A 145 1.876 1.390 10.735 1.00 0.00 C ATOM 2221 CG PHE A 145 3.381 1.304 10.856 1.00 0.00 C ATOM 2222 CD1 PHE A 145 3.990 0.217 11.497 1.00 0.00 C ATOM 2223 CD2 PHE A 145 4.169 2.341 10.351 1.00 0.00 C ATOM 2224 CE1 PHE A 145 5.380 0.166 11.613 1.00 0.00 C ATOM 2225 CE2 PHE A 145 5.565 2.288 10.476 1.00 0.00 C ATOM 2226 CZ PHE A 145 6.167 1.199 11.103 1.00 0.00 C ATOM 0 H PHE A 145 -0.519 0.622 10.652 1.00 0.00 H new ATOM 0 HA PHE A 145 1.712 0.638 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.591 2.405 10.456 1.00 0.00 H new ATOM 0 HB3 PHE A 145 1.421 1.186 11.704 1.00 0.00 H new ATOM 0 HD1 PHE A 145 3.384 -0.581 11.901 1.00 0.00 H new ATOM 0 HD2 PHE A 145 3.703 3.185 9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 145 5.848 -0.677 12.100 1.00 0.00 H new ATOM 0 HE2 PHE A 145 6.173 3.091 10.086 1.00 0.00 H new ATOM 0 HZ PHE A 145 7.242 1.155 11.194 1.00 0.00 H new ATOM 2236 N LEU A 146 2.516 -1.644 9.062 1.00 0.00 N ATOM 2237 CA LEU A 146 2.998 -2.997 9.219 1.00 0.00 C ATOM 2238 C LEU A 146 4.380 -3.173 8.585 1.00 0.00 C ATOM 2239 O LEU A 146 4.572 -2.847 7.419 1.00 0.00 O ATOM 2240 CB LEU A 146 2.003 -3.931 8.568 1.00 0.00 C ATOM 2241 CG LEU A 146 0.983 -4.405 9.604 1.00 0.00 C ATOM 2242 CD1 LEU A 146 -0.398 -4.225 9.044 1.00 0.00 C ATOM 2243 CD2 LEU A 146 1.267 -5.850 9.902 1.00 0.00 C ATOM 0 H LEU A 146 2.781 -1.207 8.179 1.00 0.00 H new ATOM 0 HA LEU A 146 3.097 -3.224 10.281 1.00 0.00 H new ATOM 0 HB2 LEU A 146 1.494 -3.422 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 146 2.522 -4.787 8.137 1.00 0.00 H new ATOM 0 HG LEU A 146 1.052 -3.829 10.527 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -1.134 -4.560 9.775 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -0.565 -3.172 8.818 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -0.500 -4.812 8.131 1.00 0.00 H new ATOM 0 HD21 LEU A 146 0.553 -6.216 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 146 1.175 -6.435 8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 146 2.279 -5.948 10.296 1.00 0.00 H new ATOM 2255 N GLU A 147 5.335 -3.711 9.342 1.00 0.00 N ATOM 2256 CA GLU A 147 6.680 -3.935 8.805 1.00 0.00 C ATOM 2257 C GLU A 147 6.849 -5.400 8.407 1.00 0.00 C ATOM 2258 O GLU A 147 6.782 -6.298 9.248 1.00 0.00 O ATOM 2259 CB GLU A 147 7.752 -3.558 9.840 1.00 0.00 C ATOM 2260 CG GLU A 147 7.305 -2.329 10.639 1.00 0.00 C ATOM 2261 CD GLU A 147 8.500 -1.414 10.927 1.00 0.00 C ATOM 2262 OE1 GLU A 147 9.246 -1.134 9.997 1.00 0.00 O ATOM 2263 OE2 GLU A 147 8.648 -0.999 12.075 1.00 0.00 O ATOM 0 H GLU A 147 5.208 -3.996 10.313 1.00 0.00 H new ATOM 0 HA GLU A 147 6.804 -3.302 7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 147 7.927 -4.396 10.515 1.00 0.00 H new ATOM 0 HB3 GLU A 147 8.697 -3.351 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 147 6.546 -1.781 10.081 1.00 0.00 H new ATOM 0 HG3 GLU A 147 6.846 -2.644 11.576 1.00 0.00 H new ATOM 2270 N SER A 148 7.063 -5.629 7.115 1.00 0.00 N ATOM 2271 CA SER A 148 7.236 -6.982 6.592 1.00 0.00 C ATOM 2272 C SER A 148 8.458 -7.053 5.680 1.00 0.00 C ATOM 2273 O SER A 148 9.168 -6.065 5.511 1.00 0.00 O ATOM 2274 CB SER A 148 5.991 -7.392 5.804 1.00 0.00 C ATOM 2275 OG SER A 148 5.628 -6.339 4.920 1.00 0.00 O ATOM 0 H SER A 148 7.121 -4.895 6.409 1.00 0.00 H new ATOM 0 HA SER A 148 7.383 -7.662 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 148 6.187 -8.304 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 148 5.169 -7.609 6.487 1.00 0.00 H new ATOM 0 HG SER A 148 5.344 -6.716 4.061 1.00 0.00 H new ATOM 2281 N SER A 149 8.707 -8.228 5.100 1.00 0.00 N ATOM 2282 CA SER A 149 9.858 -8.396 4.212 1.00 0.00 C ATOM 2283 C SER A 149 9.499 -9.223 2.977 1.00 0.00 C ATOM 2284 O SER A 149 8.905 -10.294 3.090 1.00 0.00 O ATOM 2285 CB SER A 149 10.996 -9.081 4.966 1.00 0.00 C ATOM 2286 OG SER A 149 10.463 -9.813 6.060 1.00 0.00 O ATOM 0 H SER A 149 8.138 -9.065 5.226 1.00 0.00 H new ATOM 0 HA SER A 149 10.171 -7.406 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 149 11.540 -9.749 4.298 1.00 0.00 H new ATOM 0 HB3 SER A 149 11.709 -8.338 5.324 1.00 0.00 H new ATOM 0 HG SER A 149 11.192 -10.255 6.544 1.00 0.00 H new ATOM 2292 N ALA A 150 9.882 -8.726 1.799 1.00 0.00 N ATOM 2293 CA ALA A 150 9.620 -9.427 0.555 1.00 0.00 C ATOM 2294 C ALA A 150 10.215 -10.829 0.609 1.00 0.00 C ATOM 2295 O ALA A 150 9.591 -11.801 0.187 1.00 0.00 O ATOM 2296 CB ALA A 150 10.241 -8.639 -0.599 1.00 0.00 C ATOM 0 H ALA A 150 10.374 -7.840 1.688 1.00 0.00 H new ATOM 0 HA ALA A 150 8.544 -9.513 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 150 10.050 -9.158 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 150 9.800 -7.643 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 150 11.317 -8.554 -0.444 1.00 0.00 H new ATOM 2302 N LYS A 151 11.427 -10.921 1.141 1.00 0.00 N ATOM 2303 CA LYS A 151 12.111 -12.204 1.261 1.00 0.00 C ATOM 2304 C LYS A 151 11.275 -13.180 2.088 1.00 0.00 C ATOM 2305 O LYS A 151 11.646 -14.342 2.255 1.00 0.00 O ATOM 2306 CB LYS A 151 13.472 -11.999 1.932 1.00 0.00 C ATOM 2307 CG LYS A 151 14.418 -13.145 1.559 1.00 0.00 C ATOM 2308 CD LYS A 151 15.646 -13.108 2.473 1.00 0.00 C ATOM 2309 CE LYS A 151 16.646 -14.178 2.033 1.00 0.00 C ATOM 2310 NZ LYS A 151 17.508 -14.557 3.188 1.00 0.00 N ATOM 0 H LYS A 151 11.957 -10.125 1.496 1.00 0.00 H new ATOM 0 HA LYS A 151 12.252 -12.621 0.264 1.00 0.00 H new ATOM 0 HB2 LYS A 151 13.901 -11.047 1.620 1.00 0.00 H new ATOM 0 HB3 LYS A 151 13.350 -11.955 3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 151 13.905 -14.102 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 151 14.724 -13.054 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 151 16.111 -12.123 2.434 1.00 0.00 H new ATOM 0 HD3 LYS A 151 15.347 -13.279 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 151 16.116 -15.054 1.658 1.00 0.00 H new ATOM 0 HE3 LYS A 151 17.260 -13.802 1.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 151 18.188 -15.285 2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 151 18.023 -13.719 3.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 151 16.915 -14.932 3.956 1.00 0.00 H new ATOM 2324 N GLU A 152 10.149 -12.699 2.607 1.00 0.00 N ATOM 2325 CA GLU A 152 9.272 -13.536 3.421 1.00 0.00 C ATOM 2326 C GLU A 152 7.808 -13.328 3.040 1.00 0.00 C ATOM 2327 O GLU A 152 7.309 -12.202 3.037 1.00 0.00 O ATOM 2328 CB GLU A 152 9.465 -13.204 4.901 1.00 0.00 C ATOM 2329 CG GLU A 152 10.189 -14.361 5.593 1.00 0.00 C ATOM 2330 CD GLU A 152 10.463 -14.008 7.050 1.00 0.00 C ATOM 2331 OE1 GLU A 152 10.827 -12.872 7.307 1.00 0.00 O ATOM 2332 OE2 GLU A 152 10.306 -14.880 7.890 1.00 0.00 O ATOM 0 H GLU A 152 9.823 -11.741 2.480 1.00 0.00 H new ATOM 0 HA GLU A 152 9.533 -14.579 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 152 10.042 -12.285 5.006 1.00 0.00 H new ATOM 0 HB3 GLU A 152 8.499 -13.030 5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 152 9.583 -15.265 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 152 11.127 -14.573 5.079 1.00 0.00 H new ATOM 2339 N ASN A 153 7.124 -14.424 2.722 1.00 0.00 N ATOM 2340 CA ASN A 153 5.716 -14.358 2.344 1.00 0.00 C ATOM 2341 C ASN A 153 4.832 -14.180 3.574 1.00 0.00 C ATOM 2342 O ASN A 153 3.959 -13.313 3.601 1.00 0.00 O ATOM 2343 CB ASN A 153 5.314 -15.636 1.606 1.00 0.00 C ATOM 2344 CG ASN A 153 3.958 -15.447 0.935 1.00 0.00 C ATOM 2345 OD1 ASN A 153 3.682 -14.312 0.353 1.00 0.00 O flip ATOM 2346 ND2 ASN A 153 3.128 -16.357 0.942 1.00 0.00 N flip ATOM 0 H ASN A 153 7.520 -15.364 2.719 1.00 0.00 H new ATOM 0 HA ASN A 153 5.578 -13.498 1.688 1.00 0.00 H new ATOM 0 HB2 ASN A 153 6.067 -15.886 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 153 5.270 -16.471 2.305 1.00 0.00 H new ATOM 0 HD21 ASN A 153 3.346 -17.243 1.398 1.00 0.00 H new ATOM 0 HD22 ASN A 153 2.222 -16.225 0.492 1.00 0.00 H new ATOM 2353 N GLN A 154 5.065 -15.010 4.589 1.00 0.00 N ATOM 2354 CA GLN A 154 4.285 -14.942 5.822 1.00 0.00 C ATOM 2355 C GLN A 154 3.989 -13.498 6.193 1.00 0.00 C ATOM 2356 O GLN A 154 2.830 -13.096 6.305 1.00 0.00 O ATOM 2357 CB GLN A 154 5.048 -15.601 6.970 1.00 0.00 C ATOM 2358 CG GLN A 154 6.188 -16.446 6.410 1.00 0.00 C ATOM 2359 CD GLN A 154 6.906 -17.171 7.543 1.00 0.00 C ATOM 2360 OE1 GLN A 154 6.679 -16.817 8.779 1.00 0.00 O flip ATOM 2361 NE2 GLN A 154 7.696 -18.082 7.296 1.00 0.00 N flip ATOM 0 H GLN A 154 5.784 -15.734 4.582 1.00 0.00 H new ATOM 0 HA GLN A 154 3.347 -15.470 5.653 1.00 0.00 H new ATOM 0 HB2 GLN A 154 5.443 -14.839 7.642 1.00 0.00 H new ATOM 0 HB3 GLN A 154 4.374 -16.225 7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 154 5.798 -17.169 5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 154 6.891 -15.811 5.870 1.00 0.00 H new ATOM 0 HE21 GLN A 154 7.872 -18.357 6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 154 8.175 -18.562 8.058 1.00 0.00 H new ATOM 2370 N THR A 155 5.047 -12.727 6.383 1.00 0.00 N ATOM 2371 CA THR A 155 4.903 -11.324 6.746 1.00 0.00 C ATOM 2372 C THR A 155 3.974 -10.618 5.762 1.00 0.00 C ATOM 2373 O THR A 155 3.037 -9.933 6.164 1.00 0.00 O ATOM 2374 CB THR A 155 6.270 -10.631 6.749 1.00 0.00 C ATOM 2375 OG1 THR A 155 6.780 -10.587 5.425 1.00 0.00 O ATOM 2376 CG2 THR A 155 7.248 -11.391 7.647 1.00 0.00 C ATOM 0 H THR A 155 6.012 -13.046 6.293 1.00 0.00 H new ATOM 0 HA THR A 155 4.474 -11.269 7.747 1.00 0.00 H new ATOM 0 HB THR A 155 6.152 -9.618 7.133 1.00 0.00 H new ATOM 0 HG1 THR A 155 6.831 -11.497 5.064 1.00 0.00 H new ATOM 0 HG21 THR A 155 8.215 -10.888 7.640 1.00 0.00 H new ATOM 0 HG22 THR A 155 6.861 -11.418 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 155 7.366 -12.409 7.276 1.00 0.00 H new ATOM 2384 N ALA A 156 4.236 -10.800 4.471 1.00 0.00 N ATOM 2385 CA ALA A 156 3.415 -10.183 3.434 1.00 0.00 C ATOM 2386 C ALA A 156 1.948 -10.467 3.687 1.00 0.00 C ATOM 2387 O ALA A 156 1.138 -9.558 3.870 1.00 0.00 O ATOM 2388 CB ALA A 156 3.783 -10.760 2.073 1.00 0.00 C ATOM 0 H ALA A 156 5.007 -11.367 4.119 1.00 0.00 H new ATOM 0 HA ALA A 156 3.593 -9.108 3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 156 3.167 -10.296 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 156 4.834 -10.561 1.866 1.00 0.00 H new ATOM 0 HB3 ALA A 156 3.611 -11.836 2.076 1.00 0.00 H new ATOM 2394 N VAL A 157 1.626 -11.747 3.683 1.00 0.00 N ATOM 2395 CA VAL A 157 0.255 -12.190 3.900 1.00 0.00 C ATOM 2396 C VAL A 157 -0.372 -11.458 5.078 1.00 0.00 C ATOM 2397 O VAL A 157 -1.532 -11.049 5.022 1.00 0.00 O ATOM 2398 CB VAL A 157 0.235 -13.695 4.157 1.00 0.00 C ATOM 2399 CG1 VAL A 157 -1.209 -14.171 4.322 1.00 0.00 C ATOM 2400 CG2 VAL A 157 0.876 -14.416 2.973 1.00 0.00 C ATOM 0 H VAL A 157 2.295 -12.502 3.532 1.00 0.00 H new ATOM 0 HA VAL A 157 -0.326 -11.964 3.006 1.00 0.00 H new ATOM 0 HB VAL A 157 0.792 -13.915 5.068 1.00 0.00 H new ATOM 0 HG11 VAL A 157 -1.219 -15.245 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 157 -1.668 -13.655 5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 157 -1.770 -13.953 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 157 0.864 -15.491 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 157 0.316 -14.193 2.065 1.00 0.00 H new ATOM 0 HG23 VAL A 157 1.906 -14.079 2.856 1.00 0.00 H new ATOM 2410 N ASP A 158 0.399 -11.299 6.144 1.00 0.00 N ATOM 2411 CA ASP A 158 -0.098 -10.618 7.332 1.00 0.00 C ATOM 2412 C ASP A 158 -0.461 -9.171 7.011 1.00 0.00 C ATOM 2413 O ASP A 158 -1.479 -8.654 7.479 1.00 0.00 O ATOM 2414 CB ASP A 158 0.967 -10.644 8.430 1.00 0.00 C ATOM 2415 CG ASP A 158 0.302 -10.699 9.802 1.00 0.00 C ATOM 2416 OD1 ASP A 158 -0.044 -11.789 10.227 1.00 0.00 O ATOM 2417 OD2 ASP A 158 0.150 -9.650 10.406 1.00 0.00 O ATOM 0 H ASP A 158 1.362 -11.628 6.212 1.00 0.00 H new ATOM 0 HA ASP A 158 -0.992 -11.137 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 158 1.617 -11.509 8.297 1.00 0.00 H new ATOM 0 HB3 ASP A 158 1.597 -9.758 8.358 1.00 0.00 H new ATOM 2422 N VAL A 159 0.383 -8.521 6.221 1.00 0.00 N ATOM 2423 CA VAL A 159 0.170 -7.141 5.848 1.00 0.00 C ATOM 2424 C VAL A 159 -1.114 -6.995 5.032 1.00 0.00 C ATOM 2425 O VAL A 159 -1.932 -6.107 5.283 1.00 0.00 O ATOM 2426 CB VAL A 159 1.373 -6.652 5.024 1.00 0.00 C ATOM 2427 CG1 VAL A 159 1.304 -5.146 4.880 1.00 0.00 C ATOM 2428 CG2 VAL A 159 2.692 -7.001 5.724 1.00 0.00 C ATOM 0 H VAL A 159 1.227 -8.937 5.826 1.00 0.00 H new ATOM 0 HA VAL A 159 0.070 -6.539 6.751 1.00 0.00 H new ATOM 0 HB VAL A 159 1.338 -7.139 4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 159 2.156 -4.797 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 159 0.379 -4.871 4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 159 1.327 -4.685 5.867 1.00 0.00 H new ATOM 0 HG21 VAL A 159 3.528 -6.645 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 159 2.721 -6.524 6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 159 2.765 -8.082 5.844 1.00 0.00 H new ATOM 2438 N PHE A 160 -1.275 -7.872 4.050 1.00 0.00 N ATOM 2439 CA PHE A 160 -2.447 -7.849 3.180 1.00 0.00 C ATOM 2440 C PHE A 160 -3.726 -8.224 3.928 1.00 0.00 C ATOM 2441 O PHE A 160 -4.826 -7.884 3.506 1.00 0.00 O ATOM 2442 CB PHE A 160 -2.230 -8.775 1.986 1.00 0.00 C ATOM 2443 CG PHE A 160 -1.604 -7.969 0.873 1.00 0.00 C ATOM 2444 CD1 PHE A 160 -2.413 -7.206 0.022 1.00 0.00 C ATOM 2445 CD2 PHE A 160 -0.214 -7.969 0.706 1.00 0.00 C ATOM 2446 CE1 PHE A 160 -1.832 -6.445 -0.998 1.00 0.00 C ATOM 2447 CE2 PHE A 160 0.367 -7.204 -0.314 1.00 0.00 C ATOM 2448 CZ PHE A 160 -0.442 -6.443 -1.166 1.00 0.00 C ATOM 0 H PHE A 160 -0.607 -8.612 3.834 1.00 0.00 H new ATOM 0 HA PHE A 160 -2.574 -6.827 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 160 -1.583 -9.607 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 160 -3.178 -9.203 1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 160 -3.485 -7.205 0.153 1.00 0.00 H new ATOM 0 HD2 PHE A 160 0.410 -8.558 1.362 1.00 0.00 H new ATOM 0 HE1 PHE A 160 -2.456 -5.859 -1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 160 1.439 -7.201 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 160 0.006 -5.854 -1.953 1.00 0.00 H new ATOM 2458 N ARG A 161 -3.606 -8.935 5.031 1.00 0.00 N ATOM 2459 CA ARG A 161 -4.798 -9.306 5.770 1.00 0.00 C ATOM 2460 C ARG A 161 -5.320 -8.103 6.550 1.00 0.00 C ATOM 2461 O ARG A 161 -6.526 -7.841 6.588 1.00 0.00 O ATOM 2462 CB ARG A 161 -4.482 -10.459 6.718 1.00 0.00 C ATOM 2463 CG ARG A 161 -5.546 -11.554 6.588 1.00 0.00 C ATOM 2464 CD ARG A 161 -6.915 -11.005 6.997 1.00 0.00 C ATOM 2465 NE ARG A 161 -7.620 -11.983 7.818 1.00 0.00 N ATOM 2466 CZ ARG A 161 -8.949 -12.027 7.855 1.00 0.00 C ATOM 2467 NH1 ARG A 161 -9.652 -11.172 7.164 1.00 0.00 N ATOM 2468 NH2 ARG A 161 -9.550 -12.924 8.589 1.00 0.00 N ATOM 0 H ARG A 161 -2.724 -9.260 5.427 1.00 0.00 H new ATOM 0 HA ARG A 161 -5.569 -9.630 5.071 1.00 0.00 H new ATOM 0 HB2 ARG A 161 -3.498 -10.868 6.490 1.00 0.00 H new ATOM 0 HB3 ARG A 161 -4.446 -10.096 7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 161 -5.583 -11.917 5.561 1.00 0.00 H new ATOM 0 HG3 ARG A 161 -5.283 -12.404 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 161 -6.792 -10.074 7.551 1.00 0.00 H new ATOM 0 HD3 ARG A 161 -7.503 -10.772 6.109 1.00 0.00 H new ATOM 0 HE ARG A 161 -7.083 -12.647 8.375 1.00 0.00 H new ATOM 0 HH11 ARG A 161 -9.183 -10.468 6.594 1.00 0.00 H new ATOM 0 HH12 ARG A 161 -10.671 -11.207 7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 161 -9.001 -13.589 9.133 1.00 0.00 H new ATOM 0 HH22 ARG A 161 -10.569 -12.959 8.619 1.00 0.00 H new ATOM 2482 N ARG A 162 -4.402 -7.367 7.159 1.00 0.00 N ATOM 2483 CA ARG A 162 -4.767 -6.192 7.928 1.00 0.00 C ATOM 2484 C ARG A 162 -5.316 -5.090 7.023 1.00 0.00 C ATOM 2485 O ARG A 162 -6.183 -4.324 7.442 1.00 0.00 O ATOM 2486 CB ARG A 162 -3.549 -5.670 8.689 1.00 0.00 C ATOM 2487 CG ARG A 162 -3.486 -6.336 10.067 1.00 0.00 C ATOM 2488 CD ARG A 162 -4.368 -5.563 11.049 1.00 0.00 C ATOM 2489 NE ARG A 162 -4.925 -6.468 12.048 1.00 0.00 N ATOM 2490 CZ ARG A 162 -6.024 -6.150 12.727 1.00 0.00 C ATOM 2491 NH1 ARG A 162 -6.620 -5.010 12.507 1.00 0.00 N ATOM 2492 NH2 ARG A 162 -6.504 -6.978 13.614 1.00 0.00 N ATOM 0 H ARG A 162 -3.402 -7.564 7.134 1.00 0.00 H new ATOM 0 HA ARG A 162 -5.547 -6.478 8.634 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -2.638 -5.882 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -3.612 -4.587 8.799 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -3.821 -7.371 9.998 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -2.457 -6.357 10.425 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.783 -4.785 11.539 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.174 -5.064 10.510 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.464 -7.360 12.229 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -6.243 -4.363 11.814 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -7.463 -4.766 13.028 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -6.037 -7.868 13.786 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -7.347 -6.735 14.135 1.00 0.00 H new ATOM 2506 N ILE A 163 -4.822 -5.003 5.785 1.00 0.00 N ATOM 2507 CA ILE A 163 -5.318 -3.965 4.885 1.00 0.00 C ATOM 2508 C ILE A 163 -6.759 -4.258 4.489 1.00 0.00 C ATOM 2509 O ILE A 163 -7.606 -3.375 4.563 1.00 0.00 O ATOM 2510 CB ILE A 163 -4.436 -3.798 3.640 1.00 0.00 C ATOM 2511 CG1 ILE A 163 -4.727 -2.436 2.997 1.00 0.00 C ATOM 2512 CG2 ILE A 163 -4.749 -4.886 2.625 1.00 0.00 C ATOM 2513 CD1 ILE A 163 -3.907 -2.278 1.712 1.00 0.00 C ATOM 0 H ILE A 163 -4.105 -5.615 5.395 1.00 0.00 H new ATOM 0 HA ILE A 163 -5.280 -3.020 5.426 1.00 0.00 H new ATOM 0 HB ILE A 163 -3.390 -3.867 3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -5.790 -2.350 2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -4.483 -1.635 3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -4.117 -4.757 1.746 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -4.558 -5.863 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -5.797 -4.819 2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -4.119 -1.308 1.262 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -2.845 -2.344 1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -4.173 -3.069 1.011 1.00 0.00 H new ATOM 2525 N ILE A 164 -7.050 -5.500 4.100 1.00 0.00 N ATOM 2526 CA ILE A 164 -8.422 -5.848 3.743 1.00 0.00 C ATOM 2527 C ILE A 164 -9.348 -5.458 4.890 1.00 0.00 C ATOM 2528 O ILE A 164 -10.471 -4.995 4.679 1.00 0.00 O ATOM 2529 CB ILE A 164 -8.540 -7.331 3.463 1.00 0.00 C ATOM 2530 CG1 ILE A 164 -7.687 -7.669 2.242 1.00 0.00 C ATOM 2531 CG2 ILE A 164 -9.996 -7.673 3.152 1.00 0.00 C ATOM 2532 CD1 ILE A 164 -7.561 -9.180 2.144 1.00 0.00 C ATOM 0 H ILE A 164 -6.375 -6.261 4.026 1.00 0.00 H new ATOM 0 HA ILE A 164 -8.705 -5.308 2.840 1.00 0.00 H new ATOM 0 HB ILE A 164 -8.204 -7.898 4.331 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -8.145 -7.268 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -6.701 -7.212 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.084 -8.740 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.621 -7.413 4.006 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -10.323 -7.110 2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -6.954 -9.439 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -7.086 -9.565 3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -8.552 -9.622 2.039 1.00 0.00 H new ATOM 2544 N LEU A 165 -8.859 -5.649 6.106 1.00 0.00 N ATOM 2545 CA LEU A 165 -9.634 -5.320 7.293 1.00 0.00 C ATOM 2546 C LEU A 165 -9.967 -3.828 7.320 1.00 0.00 C ATOM 2547 O LEU A 165 -11.140 -3.441 7.378 1.00 0.00 O ATOM 2548 CB LEU A 165 -8.824 -5.719 8.534 1.00 0.00 C ATOM 2549 CG LEU A 165 -9.584 -6.752 9.365 1.00 0.00 C ATOM 2550 CD1 LEU A 165 -10.914 -6.167 9.802 1.00 0.00 C ATOM 2551 CD2 LEU A 165 -9.813 -8.008 8.521 1.00 0.00 C ATOM 0 H LEU A 165 -7.932 -6.029 6.297 1.00 0.00 H new ATOM 0 HA LEU A 165 -10.576 -5.868 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 165 -7.860 -6.127 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 165 -8.619 -4.837 9.140 1.00 0.00 H new ATOM 0 HG LEU A 165 -9.004 -7.016 10.250 1.00 0.00 H new ATOM 0 HD11 LEU A 165 -11.458 -6.902 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 165 -10.739 -5.274 10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 165 -11.502 -5.903 8.923 1.00 0.00 H new ATOM 0 HD21 LEU A 165 -10.355 -8.748 9.110 1.00 0.00 H new ATOM 0 HD22 LEU A 165 -10.395 -7.751 7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 165 -8.852 -8.421 8.215 1.00 0.00 H new ATOM 2563 N GLU A 166 -8.940 -2.990 7.262 1.00 0.00 N ATOM 2564 CA GLU A 166 -9.164 -1.554 7.265 1.00 0.00 C ATOM 2565 C GLU A 166 -9.960 -1.161 6.034 1.00 0.00 C ATOM 2566 O GLU A 166 -10.721 -0.194 6.052 1.00 0.00 O ATOM 2567 CB GLU A 166 -7.830 -0.803 7.292 1.00 0.00 C ATOM 2568 CG GLU A 166 -8.065 0.643 7.731 1.00 0.00 C ATOM 2569 CD GLU A 166 -8.423 0.689 9.213 1.00 0.00 C ATOM 2570 OE1 GLU A 166 -7.579 0.332 10.017 1.00 0.00 O ATOM 2571 OE2 GLU A 166 -9.538 1.079 9.521 1.00 0.00 O ATOM 0 H GLU A 166 -7.962 -3.274 7.213 1.00 0.00 H new ATOM 0 HA GLU A 166 -9.727 -1.286 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -7.138 -1.294 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -7.369 -0.824 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -7.170 1.237 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -8.868 1.084 7.141 1.00 0.00 H new ATOM 2578 N ALA A 167 -9.797 -1.937 4.972 1.00 0.00 N ATOM 2579 CA ALA A 167 -10.525 -1.686 3.745 1.00 0.00 C ATOM 2580 C ALA A 167 -12.011 -1.753 4.039 1.00 0.00 C ATOM 2581 O ALA A 167 -12.814 -1.031 3.448 1.00 0.00 O ATOM 2582 CB ALA A 167 -10.160 -2.739 2.698 1.00 0.00 C ATOM 0 H ALA A 167 -9.170 -2.741 4.939 1.00 0.00 H new ATOM 0 HA ALA A 167 -10.265 -0.701 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 167 -10.711 -2.544 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 167 -9.090 -2.695 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 167 -10.418 -3.729 3.073 1.00 0.00 H new ATOM 2588 N GLU A 168 -12.358 -2.624 4.979 1.00 0.00 N ATOM 2589 CA GLU A 168 -13.747 -2.788 5.381 1.00 0.00 C ATOM 2590 C GLU A 168 -14.227 -1.545 6.114 1.00 0.00 C ATOM 2591 O GLU A 168 -15.274 -0.983 5.791 1.00 0.00 O ATOM 2592 CB GLU A 168 -13.892 -4.012 6.288 1.00 0.00 C ATOM 2593 CG GLU A 168 -15.184 -4.754 5.938 1.00 0.00 C ATOM 2594 CD GLU A 168 -15.036 -5.451 4.589 1.00 0.00 C ATOM 2595 OE1 GLU A 168 -14.573 -6.580 4.575 1.00 0.00 O ATOM 2596 OE2 GLU A 168 -15.388 -4.846 3.590 1.00 0.00 O ATOM 0 H GLU A 168 -11.699 -3.225 5.474 1.00 0.00 H new ATOM 0 HA GLU A 168 -14.355 -2.934 4.488 1.00 0.00 H new ATOM 0 HB2 GLU A 168 -13.035 -4.674 6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 168 -13.908 -3.704 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 168 -15.414 -5.486 6.712 1.00 0.00 H new ATOM 0 HG3 GLU A 168 -16.018 -4.053 5.905 1.00 0.00 H new ATOM 2603 N LYS A 169 -13.450 -1.122 7.106 1.00 0.00 N ATOM 2604 CA LYS A 169 -13.802 0.061 7.884 1.00 0.00 C ATOM 2605 C LYS A 169 -13.891 1.293 6.985 1.00 0.00 C ATOM 2606 O LYS A 169 -14.961 1.887 6.830 1.00 0.00 O ATOM 2607 CB LYS A 169 -12.754 0.299 8.974 1.00 0.00 C ATOM 2608 CG LYS A 169 -13.415 0.965 10.183 1.00 0.00 C ATOM 2609 CD LYS A 169 -12.335 1.494 11.128 1.00 0.00 C ATOM 2610 CE LYS A 169 -12.993 2.242 12.289 1.00 0.00 C ATOM 2611 NZ LYS A 169 -14.472 2.072 12.214 1.00 0.00 N ATOM 0 H LYS A 169 -12.581 -1.575 7.388 1.00 0.00 H new ATOM 0 HA LYS A 169 -14.776 -0.109 8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 169 -12.300 -0.647 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 169 -11.953 0.931 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 169 -14.058 1.782 9.855 1.00 0.00 H new ATOM 0 HG3 LYS A 169 -14.050 0.249 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 169 -11.733 0.668 11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 169 -11.660 2.159 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 169 -12.620 1.861 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 169 -12.735 3.300 12.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 -14.917 2.537 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 -14.827 2.501 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 -14.706 1.059 12.223 1.00 0.00 H new ATOM 2625 N ILE A 170 -12.760 1.675 6.398 1.00 0.00 N ATOM 2626 CA ILE A 170 -12.719 2.840 5.520 1.00 0.00 C ATOM 2627 C ILE A 170 -13.829 2.775 4.475 1.00 0.00 C ATOM 2628 O ILE A 170 -14.349 3.805 4.047 1.00 0.00 O ATOM 2629 CB ILE A 170 -11.362 2.916 4.821 1.00 0.00 C ATOM 2630 CG1 ILE A 170 -10.308 3.413 5.812 1.00 0.00 C ATOM 2631 CG2 ILE A 170 -11.452 3.888 3.643 1.00 0.00 C ATOM 2632 CD1 ILE A 170 -8.912 3.186 5.231 1.00 0.00 C ATOM 0 H ILE A 170 -11.866 1.198 6.513 1.00 0.00 H new ATOM 0 HA ILE A 170 -12.868 3.732 6.129 1.00 0.00 H new ATOM 0 HB ILE A 170 -11.082 1.927 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -10.459 4.472 6.019 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -10.409 2.886 6.761 1.00 0.00 H new ATOM 0 HG21 ILE A 170 -10.485 3.944 3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 170 -12.205 3.537 2.938 1.00 0.00 H new ATOM 0 HG23 ILE A 170 -11.730 4.877 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -8.162 3.540 5.938 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -8.763 2.122 5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -8.815 3.734 4.294 1.00 0.00 H new ATOM 2644 N ASP A 171 -14.191 1.562 4.065 1.00 0.00 N ATOM 2645 CA ASP A 171 -15.243 1.394 3.069 1.00 0.00 C ATOM 2646 C ASP A 171 -16.594 1.788 3.653 1.00 0.00 C ATOM 2647 O ASP A 171 -17.411 2.422 2.983 1.00 0.00 O ATOM 2648 CB ASP A 171 -15.291 -0.052 2.597 1.00 0.00 C ATOM 2649 CG ASP A 171 -16.646 -0.351 1.963 1.00 0.00 C ATOM 2650 OD1 ASP A 171 -17.604 -0.496 2.704 1.00 0.00 O ATOM 2651 OD2 ASP A 171 -16.705 -0.432 0.748 1.00 0.00 O ATOM 0 H ASP A 171 -13.778 0.693 4.402 1.00 0.00 H new ATOM 0 HA ASP A 171 -15.022 2.041 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 171 -14.495 -0.234 1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 171 -15.118 -0.723 3.438 1.00 0.00 H new ATOM 2656 N GLY A 172 -16.819 1.414 4.908 1.00 0.00 N ATOM 2657 CA GLY A 172 -18.072 1.740 5.577 1.00 0.00 C ATOM 2658 C GLY A 172 -18.250 3.249 5.675 1.00 0.00 C ATOM 2659 O GLY A 172 -19.364 3.762 5.569 1.00 0.00 O ATOM 0 H GLY A 172 -16.156 0.889 5.478 1.00 0.00 H new ATOM 0 HA2 GLY A 172 -18.907 1.305 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 172 -18.083 1.301 6.575 1.00 0.00 H new ATOM 2663 N ALA A 173 -17.141 3.957 5.874 1.00 0.00 N ATOM 2664 CA ALA A 173 -17.185 5.411 5.980 1.00 0.00 C ATOM 2665 C ALA A 173 -17.554 6.032 4.636 1.00 0.00 C ATOM 2666 O ALA A 173 -18.641 6.586 4.477 1.00 0.00 O ATOM 2667 CB ALA A 173 -15.826 5.943 6.435 1.00 0.00 C ATOM 0 H ALA A 173 -16.210 3.551 5.964 1.00 0.00 H new ATOM 0 HA ALA A 173 -17.943 5.682 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -15.868 7.030 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -15.577 5.520 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -15.063 5.659 5.710 1.00 0.00 H new ATOM 2673 N ALA A 174 -16.642 5.933 3.672 1.00 0.00 N ATOM 2674 CA ALA A 174 -16.881 6.487 2.343 1.00 0.00 C ATOM 2675 C ALA A 174 -18.322 6.241 1.907 1.00 0.00 C ATOM 2676 O ALA A 174 -19.098 7.183 1.743 1.00 0.00 O ATOM 2677 CB ALA A 174 -15.926 5.848 1.333 1.00 0.00 C ATOM 0 H ALA A 174 -15.736 5.477 3.785 1.00 0.00 H new ATOM 0 HA ALA A 174 -16.705 7.562 2.383 1.00 0.00 H new ATOM 0 HB1 ALA A 174 -16.110 6.266 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 174 -14.896 6.051 1.627 1.00 0.00 H new ATOM 0 HB3 ALA A 174 -16.090 4.771 1.308 1.00 0.00 H new