USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 hydrogens (15 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 NoAdj-H: A 122 LYS HZ1 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD NoAdj-H: A 122 LYS HZ2 : A 122 LYS NZ : A 222 BTN C11 :(NH2R) USER MOD Set 1.1: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 123 MET CE :methyl 147:sc= -12.7! (180deg=-6.46!) USER MOD Set 1.3: A 125 ASN : amide:sc= -11.3! C(o=-24!,f=-31!) USER MOD Set 2.1: A 122 LYS NZ :NH3+ 180:sc= -0.138 (180deg=0) USER MOD Set 2.2: A 124 MET CE :methyl -130:sc= -1.37 (180deg=-3.04!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -12.8! C(o=-13!,f=-15!) USER MOD Single : A 85 SER OG : rot -98:sc= -1.02 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc=-0.00131 USER MOD Single : A 94 THR OG1 : rot 46:sc= 0.129 USER MOD Single : A 96 SER OG : rot -71:sc= 0.102 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.5!) USER MOD Single : A 108 LYS NZ :NH3+ 165:sc=-0.00556 (180deg=-0.067) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0.0822 USER MOD Single : A 116 CYS SG : rot 80:sc= -4.47! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 GLN : amide:sc= -0.175 K(o=-0.17,f=-2.3!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 156:sc= -4.22! USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 82:sc= -1.82 USER MOD Single : A 144 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 77 21.269 10.566 -6.839 1.00 0.00 N ATOM 2 CA GLU A 77 20.415 10.788 -5.679 1.00 0.00 C ATOM 3 C GLU A 77 18.946 10.589 -6.041 1.00 0.00 C ATOM 4 O GLU A 77 18.610 10.353 -7.202 1.00 0.00 O ATOM 5 CB GLU A 77 20.628 12.197 -5.123 1.00 0.00 C ATOM 6 CG GLU A 77 21.980 12.388 -4.456 1.00 0.00 C ATOM 7 CD GLU A 77 23.078 11.581 -5.121 1.00 0.00 C ATOM 8 OE1 GLU A 77 23.054 10.338 -5.003 1.00 0.00 O ATOM 9 OE2 GLU A 77 23.962 12.192 -5.757 1.00 0.00 O ATOM 0 HA GLU A 77 20.686 10.059 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 77 20.527 12.918 -5.934 1.00 0.00 H new ATOM 0 HB3 GLU A 77 19.841 12.417 -4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 77 22.246 13.445 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 77 21.907 12.100 -3.407 1.00 0.00 H new ATOM 16 N ILE A 78 18.076 10.685 -5.041 1.00 0.00 N ATOM 17 CA ILE A 78 16.645 10.515 -5.257 1.00 0.00 C ATOM 18 C ILE A 78 15.851 10.879 -4.007 1.00 0.00 C ATOM 19 O ILE A 78 16.364 10.805 -2.891 1.00 0.00 O ATOM 20 CB ILE A 78 16.306 9.068 -5.662 1.00 0.00 C ATOM 21 CG1 ILE A 78 14.879 8.988 -6.208 1.00 0.00 C ATOM 22 CG2 ILE A 78 16.479 8.131 -4.476 1.00 0.00 C ATOM 23 CD1 ILE A 78 14.436 7.579 -6.537 1.00 0.00 C ATOM 0 H ILE A 78 18.337 10.879 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 78 16.367 11.187 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 78 16.993 8.757 -6.449 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.194 9.414 -5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 78 14.807 9.602 -7.106 1.00 0.00 H new ATOM 0 HG21 ILE A 78 16.236 7.112 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 78 17.512 8.170 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 78 15.814 8.439 -3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 78 13.415 7.598 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 78 15.098 7.157 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 78 14.475 6.966 -5.637 1.00 0.00 H new ATOM 35 N SER A 79 14.597 11.273 -4.204 1.00 0.00 N ATOM 36 CA SER A 79 13.731 11.649 -3.092 1.00 0.00 C ATOM 37 C SER A 79 12.594 10.646 -2.925 1.00 0.00 C ATOM 38 O SER A 79 11.480 11.011 -2.551 1.00 0.00 O ATOM 39 CB SER A 79 13.161 13.051 -3.315 1.00 0.00 C ATOM 40 OG SER A 79 12.493 13.140 -4.562 1.00 0.00 O ATOM 0 H SER A 79 14.158 11.340 -5.122 1.00 0.00 H new ATOM 0 HA SER A 79 14.329 11.648 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.469 13.297 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.967 13.784 -3.278 1.00 0.00 H new ATOM 0 HG SER A 79 12.137 14.046 -4.678 1.00 0.00 H new ATOM 46 N GLY A 80 12.884 9.380 -3.208 1.00 0.00 N ATOM 47 CA GLY A 80 11.877 8.343 -3.084 1.00 0.00 C ATOM 48 C GLY A 80 10.615 8.663 -3.861 1.00 0.00 C ATOM 49 O GLY A 80 10.667 9.339 -4.889 1.00 0.00 O ATOM 0 H GLY A 80 13.798 9.054 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.288 7.398 -3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.627 8.208 -2.032 1.00 0.00 H new ATOM 53 N HIS A 81 9.480 8.178 -3.369 1.00 0.00 N ATOM 54 CA HIS A 81 8.199 8.417 -4.023 1.00 0.00 C ATOM 55 C HIS A 81 7.044 8.046 -3.100 1.00 0.00 C ATOM 56 O HIS A 81 7.212 7.266 -2.163 1.00 0.00 O ATOM 57 CB HIS A 81 8.107 7.617 -5.324 1.00 0.00 C ATOM 58 CG HIS A 81 8.176 6.135 -5.123 1.00 0.00 C ATOM 59 ND1 HIS A 81 7.319 5.250 -5.744 1.00 0.00 N ATOM 60 CD2 HIS A 81 9.009 5.382 -4.367 1.00 0.00 C ATOM 61 CE1 HIS A 81 7.621 4.017 -5.378 1.00 0.00 C ATOM 62 NE2 HIS A 81 8.643 4.070 -4.545 1.00 0.00 N ATOM 0 H HIS A 81 9.421 7.617 -2.519 1.00 0.00 H new ATOM 0 HA HIS A 81 8.130 9.480 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.172 7.864 -5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.916 7.923 -5.987 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.569 5.507 -6.386 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.811 5.745 -3.741 1.00 0.00 H new ATOM 0 HE1 HIS A 81 7.117 3.119 -5.705 1.00 0.00 H new ATOM 71 N ILE A 82 5.873 8.609 -3.372 1.00 0.00 N ATOM 72 CA ILE A 82 4.692 8.337 -2.563 1.00 0.00 C ATOM 73 C ILE A 82 3.632 7.595 -3.370 1.00 0.00 C ATOM 74 O ILE A 82 3.281 8.004 -4.477 1.00 0.00 O ATOM 75 CB ILE A 82 4.084 9.636 -2.001 1.00 0.00 C ATOM 76 CG1 ILE A 82 5.162 10.449 -1.274 1.00 0.00 C ATOM 77 CG2 ILE A 82 2.917 9.315 -1.077 1.00 0.00 C ATOM 78 CD1 ILE A 82 4.643 11.255 -0.101 1.00 0.00 C ATOM 0 H ILE A 82 5.716 9.256 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 82 5.015 7.710 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 82 3.703 10.239 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.937 9.769 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.633 11.126 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.496 10.242 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.151 8.775 -1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.267 8.699 -0.249 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.467 11.801 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.890 11.961 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.198 10.584 0.633 1.00 0.00 H new ATOM 90 N VAL A 83 3.128 6.501 -2.809 1.00 0.00 N ATOM 91 CA VAL A 83 2.111 5.699 -3.476 1.00 0.00 C ATOM 92 C VAL A 83 0.713 6.057 -2.982 1.00 0.00 C ATOM 93 O VAL A 83 0.255 5.547 -1.960 1.00 0.00 O ATOM 94 CB VAL A 83 2.351 4.195 -3.254 1.00 0.00 C ATOM 95 CG1 VAL A 83 1.236 3.375 -3.883 1.00 0.00 C ATOM 96 CG2 VAL A 83 3.706 3.784 -3.810 1.00 0.00 C ATOM 0 H VAL A 83 3.408 6.150 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 83 2.183 5.920 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 83 2.349 4.000 -2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.425 2.315 -3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.283 3.650 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.200 3.572 -4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.859 2.718 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.739 3.994 -4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.492 4.346 -3.305 1.00 0.00 H new ATOM 106 N ARG A 84 0.039 6.937 -3.716 1.00 0.00 N ATOM 107 CA ARG A 84 -1.308 7.362 -3.355 1.00 0.00 C ATOM 108 C ARG A 84 -2.349 6.376 -3.876 1.00 0.00 C ATOM 109 O ARG A 84 -2.079 5.599 -4.792 1.00 0.00 O ATOM 110 CB ARG A 84 -1.590 8.761 -3.906 1.00 0.00 C ATOM 111 CG ARG A 84 -1.283 9.877 -2.921 1.00 0.00 C ATOM 112 CD ARG A 84 -0.112 10.726 -3.388 1.00 0.00 C ATOM 113 NE ARG A 84 0.426 11.556 -2.315 1.00 0.00 N ATOM 114 CZ ARG A 84 1.593 12.186 -2.387 1.00 0.00 C ATOM 115 NH1 ARG A 84 2.339 12.083 -3.480 1.00 0.00 N ATOM 116 NH2 ARG A 84 2.018 12.921 -1.368 1.00 0.00 N ATOM 0 H ARG A 84 0.404 7.369 -4.565 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.374 7.389 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.999 8.912 -4.809 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.639 8.823 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.164 10.507 -2.797 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.057 9.450 -1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.675 10.077 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.432 11.363 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.125 11.658 -1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.016 11.519 -4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 84 3.235 12.568 -3.533 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.448 13.004 -0.526 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.915 13.404 -1.426 1.00 0.00 H new ATOM 130 N SER A 85 -3.539 6.413 -3.286 1.00 0.00 N ATOM 131 CA SER A 85 -4.622 5.523 -3.689 1.00 0.00 C ATOM 132 C SER A 85 -5.243 5.981 -5.006 1.00 0.00 C ATOM 133 O SER A 85 -5.714 7.113 -5.123 1.00 0.00 O ATOM 134 CB SER A 85 -5.695 5.466 -2.600 1.00 0.00 C ATOM 135 OG SER A 85 -6.093 4.131 -2.346 1.00 0.00 O ATOM 0 H SER A 85 -3.778 7.050 -2.526 1.00 0.00 H new ATOM 0 HA SER A 85 -4.204 4.526 -3.832 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.312 5.915 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.560 6.055 -2.906 1.00 0.00 H new ATOM 0 HG SER A 85 -6.920 3.938 -2.835 1.00 0.00 H new ATOM 141 N PRO A 86 -5.251 5.098 -6.017 1.00 0.00 N ATOM 142 CA PRO A 86 -5.817 5.406 -7.334 1.00 0.00 C ATOM 143 C PRO A 86 -7.337 5.516 -7.301 1.00 0.00 C ATOM 144 O PRO A 86 -7.933 6.253 -8.086 1.00 0.00 O ATOM 145 CB PRO A 86 -5.386 4.215 -8.192 1.00 0.00 C ATOM 146 CG PRO A 86 -5.205 3.098 -7.223 1.00 0.00 C ATOM 147 CD PRO A 86 -4.709 3.731 -5.952 1.00 0.00 C ATOM 0 HA PRO A 86 -5.471 6.368 -7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.141 3.972 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.462 4.427 -8.729 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.144 2.570 -7.056 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -4.490 2.366 -7.600 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -5.068 3.198 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.620 3.733 -5.902 1.00 0.00 H new ATOM 155 N MET A 87 -7.958 4.778 -6.388 1.00 0.00 N ATOM 156 CA MET A 87 -9.410 4.792 -6.250 1.00 0.00 C ATOM 157 C MET A 87 -9.826 4.353 -4.851 1.00 0.00 C ATOM 158 O MET A 87 -8.997 3.906 -4.058 1.00 0.00 O ATOM 159 CB MET A 87 -10.051 3.877 -7.297 1.00 0.00 C ATOM 160 CG MET A 87 -9.359 2.531 -7.434 1.00 0.00 C ATOM 161 SD MET A 87 -10.494 1.211 -7.901 1.00 0.00 S ATOM 162 CE MET A 87 -9.482 0.286 -9.053 1.00 0.00 C ATOM 0 H MET A 87 -7.478 4.162 -5.732 1.00 0.00 H new ATOM 0 HA MET A 87 -9.757 5.813 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 87 -11.096 3.714 -7.034 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.041 4.381 -8.263 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.569 2.607 -8.181 1.00 0.00 H new ATOM 0 HG3 MET A 87 -8.880 2.275 -6.489 1.00 0.00 H new ATOM 0 HE1 MET A 87 -10.047 -0.566 -9.431 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.197 0.930 -9.885 1.00 0.00 H new ATOM 0 HE3 MET A 87 -8.585 -0.070 -8.545 1.00 0.00 H new ATOM 172 N VAL A 88 -11.115 4.480 -4.555 1.00 0.00 N ATOM 173 CA VAL A 88 -11.640 4.094 -3.252 1.00 0.00 C ATOM 174 C VAL A 88 -11.343 2.628 -2.956 1.00 0.00 C ATOM 175 O VAL A 88 -11.264 1.805 -3.867 1.00 0.00 O ATOM 176 CB VAL A 88 -13.160 4.324 -3.167 1.00 0.00 C ATOM 177 CG1 VAL A 88 -13.721 3.726 -1.886 1.00 0.00 C ATOM 178 CG2 VAL A 88 -13.482 5.808 -3.258 1.00 0.00 C ATOM 0 H VAL A 88 -11.815 4.847 -5.200 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.144 4.722 -2.512 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.632 3.821 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.796 3.899 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -13.525 2.654 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -13.244 4.196 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.561 5.951 -3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -12.998 6.336 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.118 6.202 -4.207 1.00 0.00 H new ATOM 188 N GLY A 89 -11.182 2.307 -1.676 1.00 0.00 N ATOM 189 CA GLY A 89 -10.896 0.938 -1.289 1.00 0.00 C ATOM 190 C GLY A 89 -10.500 0.816 0.169 1.00 0.00 C ATOM 191 O GLY A 89 -10.059 1.787 0.784 1.00 0.00 O ATOM 0 H GLY A 89 -11.244 2.968 -0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.774 0.320 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.093 0.548 -1.914 1.00 0.00 H new ATOM 195 N THR A 90 -10.658 -0.383 0.723 1.00 0.00 N ATOM 196 CA THR A 90 -10.315 -0.634 2.117 1.00 0.00 C ATOM 197 C THR A 90 -8.872 -1.111 2.247 1.00 0.00 C ATOM 198 O THR A 90 -8.552 -2.250 1.912 1.00 0.00 O ATOM 199 CB THR A 90 -11.262 -1.675 2.715 1.00 0.00 C ATOM 200 OG1 THR A 90 -12.522 -1.636 2.069 1.00 0.00 O ATOM 201 CG2 THR A 90 -11.500 -1.488 4.198 1.00 0.00 C ATOM 0 H THR A 90 -11.022 -1.196 0.226 1.00 0.00 H new ATOM 0 HA THR A 90 -10.419 0.303 2.665 1.00 0.00 H new ATOM 0 HB THR A 90 -10.769 -2.635 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.113 -2.310 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.181 -2.260 4.557 1.00 0.00 H new ATOM 0 HG22 THR A 90 -10.552 -1.563 4.731 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.939 -0.506 4.375 1.00 0.00 H new ATOM 209 N PHE A 91 -8.006 -0.231 2.738 1.00 0.00 N ATOM 210 CA PHE A 91 -6.597 -0.564 2.915 1.00 0.00 C ATOM 211 C PHE A 91 -6.395 -1.399 4.175 1.00 0.00 C ATOM 212 O PHE A 91 -7.293 -1.503 5.010 1.00 0.00 O ATOM 213 CB PHE A 91 -5.756 0.710 2.992 1.00 0.00 C ATOM 214 CG PHE A 91 -4.278 0.449 3.041 1.00 0.00 C ATOM 215 CD1 PHE A 91 -3.617 -0.078 1.938 1.00 0.00 C ATOM 216 CD2 PHE A 91 -3.547 0.731 4.189 1.00 0.00 C ATOM 217 CE1 PHE A 91 -2.252 -0.321 1.980 1.00 0.00 C ATOM 218 CE2 PHE A 91 -2.183 0.490 4.237 1.00 0.00 C ATOM 219 CZ PHE A 91 -1.535 -0.036 3.131 1.00 0.00 C ATOM 0 H PHE A 91 -8.254 0.717 3.020 1.00 0.00 H new ATOM 0 HA PHE A 91 -6.274 -1.150 2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -5.978 1.336 2.127 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -6.047 1.275 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -4.172 -0.301 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.047 1.142 5.053 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.749 -0.732 1.117 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.626 0.712 5.135 1.00 0.00 H new ATOM 0 HZ PHE A 91 -0.472 -0.224 3.166 1.00 0.00 H new ATOM 229 N TYR A 92 -5.215 -1.994 4.307 1.00 0.00 N ATOM 230 CA TYR A 92 -4.909 -2.819 5.470 1.00 0.00 C ATOM 231 C TYR A 92 -3.405 -3.028 5.616 1.00 0.00 C ATOM 232 O TYR A 92 -2.623 -2.611 4.762 1.00 0.00 O ATOM 233 CB TYR A 92 -5.609 -4.172 5.356 1.00 0.00 C ATOM 234 CG TYR A 92 -6.971 -4.208 6.011 1.00 0.00 C ATOM 235 CD1 TYR A 92 -7.122 -3.919 7.366 1.00 0.00 C ATOM 236 CD2 TYR A 92 -8.109 -4.532 5.274 1.00 0.00 C ATOM 237 CE1 TYR A 92 -8.370 -3.951 7.968 1.00 0.00 C ATOM 238 CE2 TYR A 92 -9.360 -4.565 5.869 1.00 0.00 C ATOM 239 CZ TYR A 92 -9.485 -4.274 7.217 1.00 0.00 C ATOM 240 OH TYR A 92 -10.726 -4.307 7.811 1.00 0.00 O ATOM 0 H TYR A 92 -4.458 -1.921 3.627 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.272 -2.298 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.716 -4.428 4.302 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.978 -4.937 5.808 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.253 -3.666 7.956 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.014 -4.761 4.223 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.471 -3.725 9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.233 -4.816 5.285 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.402 -4.550 7.144 1.00 0.00 H new ATOM 250 N ARG A 93 -3.010 -3.681 6.704 1.00 0.00 N ATOM 251 CA ARG A 93 -1.601 -3.954 6.964 1.00 0.00 C ATOM 252 C ARG A 93 -1.340 -5.457 7.005 1.00 0.00 C ATOM 253 O ARG A 93 -0.207 -5.905 6.830 1.00 0.00 O ATOM 254 CB ARG A 93 -1.169 -3.316 8.286 1.00 0.00 C ATOM 255 CG ARG A 93 -1.763 -1.937 8.520 1.00 0.00 C ATOM 256 CD ARG A 93 -0.682 -0.898 8.771 1.00 0.00 C ATOM 257 NE ARG A 93 0.112 -1.208 9.957 1.00 0.00 N ATOM 258 CZ ARG A 93 -0.292 -0.957 11.198 1.00 0.00 C ATOM 259 NH1 ARG A 93 -1.474 -0.397 11.413 1.00 0.00 N ATOM 260 NH2 ARG A 93 0.488 -1.266 12.227 1.00 0.00 N ATOM 0 H ARG A 93 -3.646 -4.031 7.420 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.017 -3.520 6.152 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.459 -3.971 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.082 -3.242 8.306 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.356 -1.644 7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.440 -1.972 9.373 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.027 -0.839 7.902 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.143 0.083 8.890 1.00 0.00 H new ATOM 0 HE ARG A 93 1.026 -1.641 9.826 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -2.076 -0.158 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.782 -0.205 12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.398 -1.697 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.177 -1.073 13.179 1.00 0.00 H new ATOM 274 N THR A 94 -2.397 -6.229 7.240 1.00 0.00 N ATOM 275 CA THR A 94 -2.282 -7.680 7.305 1.00 0.00 C ATOM 276 C THR A 94 -3.480 -8.357 6.648 1.00 0.00 C ATOM 277 O THR A 94 -4.592 -8.322 7.174 1.00 0.00 O ATOM 278 CB THR A 94 -2.166 -8.137 8.761 1.00 0.00 C ATOM 279 OG1 THR A 94 -3.123 -7.478 9.570 1.00 0.00 O ATOM 280 CG2 THR A 94 -0.803 -7.879 9.361 1.00 0.00 C ATOM 0 H THR A 94 -3.341 -5.873 7.388 1.00 0.00 H new ATOM 0 HA THR A 94 -1.382 -7.969 6.762 1.00 0.00 H new ATOM 0 HB THR A 94 -2.339 -9.213 8.741 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.996 -7.497 9.125 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.789 -8.226 10.394 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.046 -8.414 8.788 1.00 0.00 H new ATOM 0 HG23 THR A 94 -0.590 -6.810 9.334 1.00 0.00 H new ATOM 288 N PRO A 95 -3.262 -8.984 5.482 1.00 0.00 N ATOM 289 CA PRO A 95 -4.322 -9.679 4.745 1.00 0.00 C ATOM 290 C PRO A 95 -5.040 -10.710 5.606 1.00 0.00 C ATOM 291 O PRO A 95 -5.151 -10.551 6.822 1.00 0.00 O ATOM 292 CB PRO A 95 -3.573 -10.368 3.601 1.00 0.00 C ATOM 293 CG PRO A 95 -2.326 -9.572 3.428 1.00 0.00 C ATOM 294 CD PRO A 95 -1.962 -9.067 4.796 1.00 0.00 C ATOM 0 HA PRO A 95 -5.100 -8.994 4.408 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -3.349 -11.407 3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -4.167 -10.376 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -1.526 -10.186 3.013 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.484 -8.745 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -1.280 -9.746 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.469 -8.096 4.749 1.00 0.00 H new ATOM 302 N SER A 96 -5.526 -11.768 4.968 1.00 0.00 N ATOM 303 CA SER A 96 -6.235 -12.830 5.675 1.00 0.00 C ATOM 304 C SER A 96 -5.644 -13.050 7.063 1.00 0.00 C ATOM 305 O SER A 96 -4.425 -13.054 7.237 1.00 0.00 O ATOM 306 CB SER A 96 -6.181 -14.132 4.873 1.00 0.00 C ATOM 307 OG SER A 96 -5.635 -13.915 3.583 1.00 0.00 O ATOM 0 H SER A 96 -5.443 -11.914 3.962 1.00 0.00 H new ATOM 0 HA SER A 96 -7.275 -12.524 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 96 -5.579 -14.867 5.407 1.00 0.00 H new ATOM 0 HB3 SER A 96 -7.184 -14.548 4.781 1.00 0.00 H new ATOM 0 HG SER A 96 -6.277 -13.415 3.036 1.00 0.00 H new ATOM 313 N PRO A 97 -6.510 -13.231 8.069 1.00 0.00 N ATOM 314 CA PRO A 97 -6.089 -13.452 9.456 1.00 0.00 C ATOM 315 C PRO A 97 -5.022 -14.534 9.579 1.00 0.00 C ATOM 316 O PRO A 97 -5.318 -15.677 9.927 1.00 0.00 O ATOM 317 CB PRO A 97 -7.380 -13.892 10.148 1.00 0.00 C ATOM 318 CG PRO A 97 -8.467 -13.261 9.349 1.00 0.00 C ATOM 319 CD PRO A 97 -7.975 -13.233 7.928 1.00 0.00 C ATOM 0 HA PRO A 97 -5.635 -12.561 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.474 -14.978 10.158 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.407 -13.560 11.186 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -9.392 -13.831 9.430 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.681 -12.254 9.708 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -8.323 -14.100 7.366 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.328 -12.348 7.399 1.00 0.00 H new ATOM 327 N ASP A 98 -3.779 -14.164 9.290 1.00 0.00 N ATOM 328 CA ASP A 98 -2.664 -15.102 9.369 1.00 0.00 C ATOM 329 C ASP A 98 -1.480 -14.623 8.532 1.00 0.00 C ATOM 330 O ASP A 98 -0.342 -15.035 8.759 1.00 0.00 O ATOM 331 CB ASP A 98 -3.102 -16.490 8.899 1.00 0.00 C ATOM 332 CG ASP A 98 -3.422 -17.417 10.056 1.00 0.00 C ATOM 333 OD1 ASP A 98 -3.479 -16.934 11.206 1.00 0.00 O ATOM 334 OD2 ASP A 98 -3.615 -18.626 9.811 1.00 0.00 O ATOM 0 H ASP A 98 -3.518 -13.222 8.999 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.349 -15.158 10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.980 -16.394 8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.312 -16.931 8.291 1.00 0.00 H new ATOM 339 N ALA A 99 -1.752 -13.752 7.565 1.00 0.00 N ATOM 340 CA ALA A 99 -0.706 -13.223 6.698 1.00 0.00 C ATOM 341 C ALA A 99 0.519 -12.809 7.506 1.00 0.00 C ATOM 342 O ALA A 99 0.472 -12.743 8.735 1.00 0.00 O ATOM 343 CB ALA A 99 -1.234 -12.045 5.894 1.00 0.00 C ATOM 0 H ALA A 99 -2.687 -13.398 7.363 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.404 -14.012 6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -0.443 -11.660 5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -2.074 -12.371 5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.564 -11.259 6.574 1.00 0.00 H new ATOM 349 N LYS A 100 1.616 -12.531 6.808 1.00 0.00 N ATOM 350 CA LYS A 100 2.855 -12.123 7.461 1.00 0.00 C ATOM 351 C LYS A 100 3.047 -10.614 7.369 1.00 0.00 C ATOM 352 O LYS A 100 4.157 -10.131 7.142 1.00 0.00 O ATOM 353 CB LYS A 100 4.049 -12.841 6.829 1.00 0.00 C ATOM 354 CG LYS A 100 3.702 -14.199 6.243 1.00 0.00 C ATOM 355 CD LYS A 100 4.804 -14.708 5.328 1.00 0.00 C ATOM 356 CE LYS A 100 5.858 -15.482 6.104 1.00 0.00 C ATOM 357 NZ LYS A 100 7.190 -15.425 5.442 1.00 0.00 N ATOM 0 H LYS A 100 1.672 -12.581 5.791 1.00 0.00 H new ATOM 0 HA LYS A 100 2.790 -12.399 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 100 4.466 -12.211 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.826 -12.968 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.538 -14.914 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.768 -14.128 5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.373 -15.349 4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 100 5.272 -13.867 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.937 -15.076 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 100 5.546 -16.522 6.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 7.880 -15.965 6.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 7.122 -15.835 4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 7.500 -14.435 5.371 1.00 0.00 H new ATOM 371 N ALA A 101 1.958 -9.872 7.545 1.00 0.00 N ATOM 372 CA ALA A 101 2.006 -8.417 7.482 1.00 0.00 C ATOM 373 C ALA A 101 2.655 -7.944 6.187 1.00 0.00 C ATOM 374 O ALA A 101 3.861 -8.094 5.993 1.00 0.00 O ATOM 375 CB ALA A 101 2.756 -7.861 8.682 1.00 0.00 C ATOM 0 H ALA A 101 1.032 -10.255 7.732 1.00 0.00 H new ATOM 0 HA ALA A 101 0.982 -8.044 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.784 -6.773 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.248 -8.161 9.599 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.774 -8.250 8.687 1.00 0.00 H new ATOM 381 N PHE A 102 1.845 -7.371 5.303 1.00 0.00 N ATOM 382 CA PHE A 102 2.339 -6.873 4.025 1.00 0.00 C ATOM 383 C PHE A 102 3.527 -5.938 4.230 1.00 0.00 C ATOM 384 O PHE A 102 4.098 -5.874 5.319 1.00 0.00 O ATOM 385 CB PHE A 102 1.223 -6.144 3.274 1.00 0.00 C ATOM 386 CG PHE A 102 0.667 -6.929 2.121 1.00 0.00 C ATOM 387 CD1 PHE A 102 1.502 -7.375 1.103 1.00 0.00 C ATOM 388 CD2 PHE A 102 -0.690 -7.225 2.051 1.00 0.00 C ATOM 389 CE1 PHE A 102 0.996 -8.101 0.038 1.00 0.00 C ATOM 390 CE2 PHE A 102 -1.203 -7.951 0.987 1.00 0.00 C ATOM 391 CZ PHE A 102 -0.359 -8.390 -0.021 1.00 0.00 C ATOM 0 H PHE A 102 0.844 -7.240 5.448 1.00 0.00 H new ATOM 0 HA PHE A 102 2.669 -7.726 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.416 -5.915 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.605 -5.192 2.905 1.00 0.00 H new ATOM 0 HD1 PHE A 102 2.558 -7.153 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.352 -6.886 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 102 1.656 -8.442 -0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.259 -8.174 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.756 -8.956 -0.851 1.00 0.00 H new ATOM 401 N ILE A 103 3.897 -5.218 3.177 1.00 0.00 N ATOM 402 CA ILE A 103 5.018 -4.288 3.243 1.00 0.00 C ATOM 403 C ILE A 103 4.617 -2.991 3.936 1.00 0.00 C ATOM 404 O ILE A 103 4.093 -2.073 3.302 1.00 0.00 O ATOM 405 CB ILE A 103 5.560 -3.960 1.839 1.00 0.00 C ATOM 406 CG1 ILE A 103 5.539 -5.208 0.956 1.00 0.00 C ATOM 407 CG2 ILE A 103 6.968 -3.393 1.935 1.00 0.00 C ATOM 408 CD1 ILE A 103 6.079 -6.444 1.643 1.00 0.00 C ATOM 0 H ILE A 103 3.437 -5.260 2.268 1.00 0.00 H new ATOM 0 HA ILE A 103 5.801 -4.779 3.821 1.00 0.00 H new ATOM 0 HB ILE A 103 4.917 -3.207 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.515 -5.399 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.125 -5.017 0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.338 -3.166 0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.953 -2.481 2.532 1.00 0.00 H new ATOM 0 HG23 ILE A 103 7.624 -4.125 2.407 1.00 0.00 H new ATOM 0 HD11 ILE A 103 6.034 -7.290 0.958 1.00 0.00 H new ATOM 0 HD12 ILE A 103 7.114 -6.273 1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 103 5.479 -6.660 2.527 1.00 0.00 H new ATOM 420 N GLU A 104 4.865 -2.918 5.240 1.00 0.00 N ATOM 421 CA GLU A 104 4.528 -1.730 6.016 1.00 0.00 C ATOM 422 C GLU A 104 5.778 -0.924 6.351 1.00 0.00 C ATOM 423 O GLU A 104 6.876 -1.244 5.897 1.00 0.00 O ATOM 424 CB GLU A 104 3.800 -2.119 7.304 1.00 0.00 C ATOM 425 CG GLU A 104 3.461 -3.598 7.393 1.00 0.00 C ATOM 426 CD GLU A 104 2.844 -3.974 8.726 1.00 0.00 C ATOM 427 OE1 GLU A 104 2.704 -3.081 9.587 1.00 0.00 O ATOM 428 OE2 GLU A 104 2.504 -5.161 8.908 1.00 0.00 O ATOM 0 H GLU A 104 5.298 -3.667 5.781 1.00 0.00 H new ATOM 0 HA GLU A 104 3.868 -1.110 5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.420 -1.846 8.158 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.880 -1.539 7.380 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.770 -3.858 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.366 -4.185 7.237 1.00 0.00 H new ATOM 435 N VAL A 105 5.603 0.123 7.151 1.00 0.00 N ATOM 436 CA VAL A 105 6.716 0.976 7.547 1.00 0.00 C ATOM 437 C VAL A 105 7.923 0.146 7.966 1.00 0.00 C ATOM 438 O VAL A 105 7.782 -0.905 8.591 1.00 0.00 O ATOM 439 CB VAL A 105 6.327 1.912 8.707 1.00 0.00 C ATOM 440 CG1 VAL A 105 7.290 3.088 8.788 1.00 0.00 C ATOM 441 CG2 VAL A 105 4.894 2.399 8.547 1.00 0.00 C ATOM 0 H VAL A 105 4.701 0.400 7.537 1.00 0.00 H new ATOM 0 HA VAL A 105 6.974 1.578 6.676 1.00 0.00 H new ATOM 0 HB VAL A 105 6.392 1.350 9.639 1.00 0.00 H new ATOM 0 HG11 VAL A 105 7.001 3.739 9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 105 8.302 2.719 8.955 1.00 0.00 H new ATOM 0 HG13 VAL A 105 7.258 3.649 7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.639 3.059 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.797 2.943 7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 105 4.218 1.544 8.542 1.00 0.00 H new ATOM 451 N GLY A 106 9.112 0.627 7.618 1.00 0.00 N ATOM 452 CA GLY A 106 10.330 -0.081 7.965 1.00 0.00 C ATOM 453 C GLY A 106 10.731 -1.100 6.917 1.00 0.00 C ATOM 454 O GLY A 106 11.840 -1.048 6.386 1.00 0.00 O ATOM 0 H GLY A 106 9.254 1.495 7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.139 0.638 8.096 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.193 -0.584 8.922 1.00 0.00 H new ATOM 458 N GLN A 107 9.828 -2.031 6.619 1.00 0.00 N ATOM 459 CA GLN A 107 10.100 -3.065 5.626 1.00 0.00 C ATOM 460 C GLN A 107 10.469 -2.440 4.283 1.00 0.00 C ATOM 461 O GLN A 107 10.307 -1.235 4.085 1.00 0.00 O ATOM 462 CB GLN A 107 8.884 -3.983 5.465 1.00 0.00 C ATOM 463 CG GLN A 107 9.067 -5.064 4.410 1.00 0.00 C ATOM 464 CD GLN A 107 8.066 -6.194 4.549 1.00 0.00 C ATOM 465 OE1 GLN A 107 6.973 -6.008 5.086 1.00 0.00 O ATOM 466 NE2 GLN A 107 8.435 -7.375 4.066 1.00 0.00 N ATOM 0 H GLN A 107 8.905 -2.090 7.049 1.00 0.00 H new ATOM 0 HA GLN A 107 10.945 -3.659 5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 107 8.668 -4.456 6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.015 -3.378 5.205 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.971 -4.619 3.420 1.00 0.00 H new ATOM 0 HG3 GLN A 107 10.077 -5.468 4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.350 -7.484 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.803 -8.173 4.132 1.00 0.00 H new ATOM 475 N LYS A 108 10.966 -3.261 3.364 1.00 0.00 N ATOM 476 CA LYS A 108 11.358 -2.782 2.044 1.00 0.00 C ATOM 477 C LYS A 108 10.584 -3.506 0.946 1.00 0.00 C ATOM 478 O LYS A 108 9.994 -4.560 1.180 1.00 0.00 O ATOM 479 CB LYS A 108 12.861 -2.975 1.836 1.00 0.00 C ATOM 480 CG LYS A 108 13.667 -2.891 3.120 1.00 0.00 C ATOM 481 CD LYS A 108 13.498 -4.143 3.966 1.00 0.00 C ATOM 482 CE LYS A 108 14.827 -4.844 4.195 1.00 0.00 C ATOM 483 NZ LYS A 108 15.754 -4.021 5.018 1.00 0.00 N ATOM 0 H LYS A 108 11.107 -4.261 3.509 1.00 0.00 H new ATOM 0 HA LYS A 108 11.122 -1.719 1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.033 -3.946 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.223 -2.219 1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 108 14.721 -2.752 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.352 -2.018 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.055 -3.878 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.806 -4.826 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.653 -5.799 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 108 15.292 -5.063 3.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.533 -4.617 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 16.140 -3.249 4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.238 -3.622 5.828 1.00 0.00 H new ATOM 497 N VAL A 109 10.593 -2.930 -0.252 1.00 0.00 N ATOM 498 CA VAL A 109 9.895 -3.518 -1.388 1.00 0.00 C ATOM 499 C VAL A 109 10.788 -3.549 -2.624 1.00 0.00 C ATOM 500 O VAL A 109 11.326 -2.523 -3.039 1.00 0.00 O ATOM 501 CB VAL A 109 8.606 -2.743 -1.723 1.00 0.00 C ATOM 502 CG1 VAL A 109 7.386 -3.476 -1.187 1.00 0.00 C ATOM 503 CG2 VAL A 109 8.671 -1.328 -1.169 1.00 0.00 C ATOM 0 H VAL A 109 11.076 -2.056 -0.460 1.00 0.00 H new ATOM 0 HA VAL A 109 9.633 -4.537 -1.103 1.00 0.00 H new ATOM 0 HB VAL A 109 8.517 -2.680 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 109 6.486 -2.913 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.329 -4.467 -1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 109 7.467 -3.574 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 109 7.751 -0.798 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 109 8.788 -1.366 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.521 -0.804 -1.607 1.00 0.00 H new ATOM 513 N ASN A 110 10.945 -4.733 -3.206 1.00 0.00 N ATOM 514 CA ASN A 110 11.776 -4.896 -4.393 1.00 0.00 C ATOM 515 C ASN A 110 10.921 -4.968 -5.654 1.00 0.00 C ATOM 516 O ASN A 110 9.934 -5.702 -5.705 1.00 0.00 O ATOM 517 CB ASN A 110 12.633 -6.153 -4.272 1.00 0.00 C ATOM 518 CG ASN A 110 13.411 -6.201 -2.972 1.00 0.00 C ATOM 519 OD1 ASN A 110 12.957 -6.781 -1.984 1.00 0.00 O ATOM 520 ND2 ASN A 110 14.590 -5.590 -2.963 1.00 0.00 N ATOM 0 H ASN A 110 10.508 -5.593 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 110 12.428 -4.026 -4.469 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.994 -7.033 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 110 13.329 -6.197 -5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 110 15.157 -5.589 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 110 14.928 -5.122 -3.804 1.00 0.00 H new ATOM 527 N VAL A 111 11.308 -4.203 -6.668 1.00 0.00 N ATOM 528 CA VAL A 111 10.578 -4.181 -7.931 1.00 0.00 C ATOM 529 C VAL A 111 10.065 -5.569 -8.295 1.00 0.00 C ATOM 530 O VAL A 111 10.817 -6.411 -8.787 1.00 0.00 O ATOM 531 CB VAL A 111 11.459 -3.655 -9.079 1.00 0.00 C ATOM 532 CG1 VAL A 111 10.725 -3.759 -10.407 1.00 0.00 C ATOM 533 CG2 VAL A 111 11.889 -2.221 -8.810 1.00 0.00 C ATOM 0 H VAL A 111 12.123 -3.590 -6.641 1.00 0.00 H new ATOM 0 HA VAL A 111 9.731 -3.509 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 111 12.355 -4.273 -9.136 1.00 0.00 H new ATOM 0 HG11 VAL A 111 11.364 -3.383 -11.206 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.474 -4.801 -10.603 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.810 -3.168 -10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.511 -1.867 -9.632 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.007 -1.587 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.458 -2.180 -7.881 1.00 0.00 H new ATOM 543 N GLY A 112 8.780 -5.802 -8.049 1.00 0.00 N ATOM 544 CA GLY A 112 8.188 -7.091 -8.357 1.00 0.00 C ATOM 545 C GLY A 112 7.598 -7.764 -7.134 1.00 0.00 C ATOM 546 O GLY A 112 6.869 -8.749 -7.248 1.00 0.00 O ATOM 0 H GLY A 112 8.138 -5.122 -7.642 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.408 -6.959 -9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 112 8.946 -7.740 -8.795 1.00 0.00 H new ATOM 550 N ASP A 113 7.915 -7.231 -5.957 1.00 0.00 N ATOM 551 CA ASP A 113 7.413 -7.787 -4.706 1.00 0.00 C ATOM 552 C ASP A 113 6.030 -7.230 -4.379 1.00 0.00 C ATOM 553 O ASP A 113 5.759 -6.049 -4.595 1.00 0.00 O ATOM 554 CB ASP A 113 8.381 -7.485 -3.564 1.00 0.00 C ATOM 555 CG ASP A 113 9.042 -8.736 -3.019 1.00 0.00 C ATOM 556 OD1 ASP A 113 8.910 -9.802 -3.655 1.00 0.00 O ATOM 557 OD2 ASP A 113 9.692 -8.650 -1.956 1.00 0.00 O ATOM 0 H ASP A 113 8.517 -6.415 -5.844 1.00 0.00 H new ATOM 0 HA ASP A 113 7.331 -8.867 -4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.149 -6.796 -3.915 1.00 0.00 H new ATOM 0 HB3 ASP A 113 7.844 -6.982 -2.760 1.00 0.00 H new ATOM 562 N THR A 114 5.161 -8.089 -3.857 1.00 0.00 N ATOM 563 CA THR A 114 3.806 -7.685 -3.501 1.00 0.00 C ATOM 564 C THR A 114 3.821 -6.437 -2.624 1.00 0.00 C ATOM 565 O THR A 114 4.753 -6.221 -1.849 1.00 0.00 O ATOM 566 CB THR A 114 3.088 -8.825 -2.775 1.00 0.00 C ATOM 567 OG1 THR A 114 3.620 -10.079 -3.162 1.00 0.00 O ATOM 568 CG2 THR A 114 1.597 -8.859 -3.040 1.00 0.00 C ATOM 0 H THR A 114 5.371 -9.070 -3.671 1.00 0.00 H new ATOM 0 HA THR A 114 3.269 -7.452 -4.421 1.00 0.00 H new ATOM 0 HB THR A 114 3.249 -8.637 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.149 -10.795 -2.686 1.00 0.00 H new ATOM 0 HG21 THR A 114 1.150 -9.691 -2.496 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.147 -7.924 -2.708 1.00 0.00 H new ATOM 0 HG23 THR A 114 1.420 -8.987 -4.108 1.00 0.00 H new ATOM 576 N LEU A 115 2.782 -5.617 -2.753 1.00 0.00 N ATOM 577 CA LEU A 115 2.672 -4.388 -1.974 1.00 0.00 C ATOM 578 C LEU A 115 1.670 -4.555 -0.835 1.00 0.00 C ATOM 579 O LEU A 115 2.051 -4.663 0.330 1.00 0.00 O ATOM 580 CB LEU A 115 2.252 -3.222 -2.874 1.00 0.00 C ATOM 581 CG LEU A 115 2.336 -1.840 -2.225 1.00 0.00 C ATOM 582 CD1 LEU A 115 3.669 -1.182 -2.542 1.00 0.00 C ATOM 583 CD2 LEU A 115 1.183 -0.962 -2.688 1.00 0.00 C ATOM 0 H LEU A 115 2.003 -5.782 -3.391 1.00 0.00 H new ATOM 0 HA LEU A 115 3.650 -4.170 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 115 2.880 -3.227 -3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 115 1.227 -3.389 -3.205 1.00 0.00 H new ATOM 0 HG LEU A 115 2.262 -1.962 -1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.711 -0.199 -2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 115 4.480 -1.802 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.773 -1.072 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.259 0.017 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.225 -0.847 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.237 -1.427 -2.409 1.00 0.00 H new ATOM 595 N CYS A 116 0.387 -4.576 -1.182 1.00 0.00 N ATOM 596 CA CYS A 116 -0.673 -4.732 -0.192 1.00 0.00 C ATOM 597 C CYS A 116 -2.045 -4.706 -0.859 1.00 0.00 C ATOM 598 O CYS A 116 -2.194 -4.199 -1.971 1.00 0.00 O ATOM 599 CB CYS A 116 -0.584 -3.626 0.860 1.00 0.00 C ATOM 600 SG CYS A 116 0.181 -2.100 0.265 1.00 0.00 S ATOM 0 H CYS A 116 0.056 -4.487 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 116 -0.543 -5.698 0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.588 -3.400 1.220 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.015 -3.996 1.713 1.00 0.00 H new ATOM 0 HG CYS A 116 -0.691 -1.412 -0.411 1.00 0.00 H new ATOM 606 N ILE A 117 -3.045 -5.251 -0.173 1.00 0.00 N ATOM 607 CA ILE A 117 -4.404 -5.287 -0.704 1.00 0.00 C ATOM 608 C ILE A 117 -5.004 -3.885 -0.760 1.00 0.00 C ATOM 609 O ILE A 117 -4.539 -2.968 -0.082 1.00 0.00 O ATOM 610 CB ILE A 117 -5.320 -6.208 0.144 1.00 0.00 C ATOM 611 CG1 ILE A 117 -5.125 -7.672 -0.248 1.00 0.00 C ATOM 612 CG2 ILE A 117 -6.783 -5.821 -0.019 1.00 0.00 C ATOM 613 CD1 ILE A 117 -5.525 -8.644 0.840 1.00 0.00 C ATOM 0 H ILE A 117 -2.941 -5.673 0.750 1.00 0.00 H new ATOM 0 HA ILE A 117 -4.343 -5.691 -1.714 1.00 0.00 H new ATOM 0 HB ILE A 117 -5.041 -6.081 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -5.709 -7.881 -1.144 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -4.078 -7.835 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -7.404 -6.482 0.586 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -6.925 -4.791 0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.069 -5.913 -1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -5.361 -9.665 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -4.924 -8.461 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.579 -8.508 1.080 1.00 0.00 H new ATOM 625 N VAL A 118 -6.046 -3.733 -1.571 1.00 0.00 N ATOM 626 CA VAL A 118 -6.724 -2.454 -1.721 1.00 0.00 C ATOM 627 C VAL A 118 -8.203 -2.581 -1.372 1.00 0.00 C ATOM 628 O VAL A 118 -8.817 -1.642 -0.866 1.00 0.00 O ATOM 629 CB VAL A 118 -6.600 -1.913 -3.157 1.00 0.00 C ATOM 630 CG1 VAL A 118 -6.906 -0.423 -3.196 1.00 0.00 C ATOM 631 CG2 VAL A 118 -5.215 -2.194 -3.723 1.00 0.00 C ATOM 0 H VAL A 118 -6.440 -4.485 -2.136 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.241 -1.757 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 118 -7.331 -2.429 -3.780 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -6.813 -0.059 -4.219 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -7.922 -0.251 -2.840 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.203 0.110 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.151 -1.803 -4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -4.462 -1.711 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -5.039 -3.270 -3.737 1.00 0.00 H new ATOM 641 N GLU A 119 -8.771 -3.752 -1.650 1.00 0.00 N ATOM 642 CA GLU A 119 -10.179 -4.007 -1.372 1.00 0.00 C ATOM 643 C GLU A 119 -11.045 -2.867 -1.894 1.00 0.00 C ATOM 644 O GLU A 119 -11.831 -2.280 -1.152 1.00 0.00 O ATOM 645 CB GLU A 119 -10.406 -4.188 0.133 1.00 0.00 C ATOM 646 CG GLU A 119 -9.849 -5.489 0.690 1.00 0.00 C ATOM 647 CD GLU A 119 -9.189 -5.307 2.042 1.00 0.00 C ATOM 648 OE1 GLU A 119 -9.436 -4.268 2.688 1.00 0.00 O ATOM 649 OE2 GLU A 119 -8.424 -6.204 2.455 1.00 0.00 O ATOM 0 H GLU A 119 -8.276 -4.539 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.464 -4.926 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.948 -3.352 0.662 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.476 -4.146 0.336 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.655 -6.217 0.778 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -9.124 -5.900 -0.012 1.00 0.00 H new ATOM 656 N ALA A 120 -10.895 -2.562 -3.177 1.00 0.00 N ATOM 657 CA ALA A 120 -11.663 -1.492 -3.804 1.00 0.00 C ATOM 658 C ALA A 120 -13.072 -1.963 -4.145 1.00 0.00 C ATOM 659 O ALA A 120 -14.036 -1.206 -4.030 1.00 0.00 O ATOM 660 CB ALA A 120 -10.952 -0.995 -5.053 1.00 0.00 C ATOM 0 H ALA A 120 -10.248 -3.040 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 120 -11.743 -0.668 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -11.536 -0.197 -5.511 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -9.967 -0.615 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -10.843 -1.817 -5.761 1.00 0.00 H new ATOM 666 N MET A 121 -13.182 -3.219 -4.561 1.00 0.00 N ATOM 667 CA MET A 121 -14.469 -3.800 -4.917 1.00 0.00 C ATOM 668 C MET A 121 -14.549 -5.248 -4.450 1.00 0.00 C ATOM 669 O MET A 121 -14.827 -6.152 -5.239 1.00 0.00 O ATOM 670 CB MET A 121 -14.686 -3.723 -6.429 1.00 0.00 C ATOM 671 CG MET A 121 -13.610 -4.431 -7.236 1.00 0.00 C ATOM 672 SD MET A 121 -13.978 -4.471 -9.000 1.00 0.00 S ATOM 673 CE MET A 121 -14.736 -6.087 -9.151 1.00 0.00 C ATOM 0 H MET A 121 -12.392 -3.856 -4.660 1.00 0.00 H new ATOM 0 HA MET A 121 -15.253 -3.230 -4.419 1.00 0.00 H new ATOM 0 HB2 MET A 121 -15.655 -4.159 -6.671 1.00 0.00 H new ATOM 0 HB3 MET A 121 -14.723 -2.676 -6.729 1.00 0.00 H new ATOM 0 HG2 MET A 121 -12.655 -3.930 -7.079 1.00 0.00 H new ATOM 0 HG3 MET A 121 -13.498 -5.451 -6.869 1.00 0.00 H new ATOM 0 HE1 MET A 121 -15.020 -6.260 -10.189 1.00 0.00 H new ATOM 0 HE2 MET A 121 -14.027 -6.852 -8.836 1.00 0.00 H new ATOM 0 HE3 MET A 121 -15.623 -6.133 -8.520 1.00 0.00 H new ATOM 683 N LYS A 122 -14.297 -5.466 -3.161 1.00 0.00 N ATOM 684 CA LYS A 122 -14.334 -6.807 -2.594 1.00 0.00 C ATOM 685 C LYS A 122 -13.566 -7.781 -3.478 1.00 0.00 C ATOM 686 O LYS A 122 -13.834 -8.982 -3.479 1.00 0.00 O ATOM 687 CB LYS A 122 -15.780 -7.278 -2.429 1.00 0.00 C ATOM 688 CG LYS A 122 -16.171 -7.559 -0.987 1.00 0.00 C ATOM 689 CD LYS A 122 -15.041 -8.231 -0.225 1.00 0.00 C ATOM 690 CE LYS A 122 -14.393 -7.276 0.765 1.00 0.00 C ATOM 691 NZ LYS A 122 -13.810 -7.983 1.901 1.00 0.00 N ATOM 0 H LYS A 122 -14.066 -4.731 -2.493 1.00 0.00 H new ATOM 0 HA LYS A 122 -13.861 -6.777 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -16.448 -6.519 -2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -15.928 -8.183 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -16.440 -6.625 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -17.055 -8.196 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -15.426 -9.102 0.306 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.291 -8.592 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -13.618 -6.700 0.260 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.137 -6.564 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.378 -7.297 2.553 1.00 0.00 H new ATOM 702 N MET A 123 -12.611 -7.250 -4.235 1.00 0.00 N ATOM 703 CA MET A 123 -11.802 -8.063 -5.132 1.00 0.00 C ATOM 704 C MET A 123 -10.548 -8.573 -4.429 1.00 0.00 C ATOM 705 O MET A 123 -9.991 -9.606 -4.804 1.00 0.00 O ATOM 706 CB MET A 123 -11.411 -7.253 -6.369 1.00 0.00 C ATOM 707 CG MET A 123 -10.924 -5.849 -6.047 1.00 0.00 C ATOM 708 SD MET A 123 -10.099 -5.059 -7.442 1.00 0.00 S ATOM 709 CE MET A 123 -9.628 -3.491 -6.714 1.00 0.00 C ATOM 0 H MET A 123 -12.379 -6.257 -4.244 1.00 0.00 H new ATOM 0 HA MET A 123 -12.398 -8.923 -5.438 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.628 -7.785 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 123 -12.270 -7.187 -7.036 1.00 0.00 H new ATOM 0 HG2 MET A 123 -11.772 -5.237 -5.738 1.00 0.00 H new ATOM 0 HG3 MET A 123 -10.237 -5.892 -5.202 1.00 0.00 H new ATOM 0 HE1 MET A 123 -8.687 -3.155 -7.150 1.00 0.00 H new ATOM 0 HE2 MET A 123 -10.404 -2.751 -6.911 1.00 0.00 H new ATOM 0 HE3 MET A 123 -9.506 -3.612 -5.638 1.00 0.00 H new ATOM 719 N MET A 124 -10.103 -7.842 -3.411 1.00 0.00 N ATOM 720 CA MET A 124 -8.913 -8.221 -2.665 1.00 0.00 C ATOM 721 C MET A 124 -7.671 -8.066 -3.530 1.00 0.00 C ATOM 722 O MET A 124 -6.728 -8.851 -3.432 1.00 0.00 O ATOM 723 CB MET A 124 -9.031 -9.663 -2.169 1.00 0.00 C ATOM 724 CG MET A 124 -9.066 -9.787 -0.653 1.00 0.00 C ATOM 725 SD MET A 124 -10.131 -8.554 0.119 1.00 0.00 S ATOM 726 CE MET A 124 -11.747 -9.127 -0.400 1.00 0.00 C ATOM 0 H MET A 124 -10.550 -6.985 -3.086 1.00 0.00 H new ATOM 0 HA MET A 124 -8.823 -7.560 -1.803 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.937 -10.107 -2.582 1.00 0.00 H new ATOM 0 HB3 MET A 124 -8.190 -10.240 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.414 -10.784 -0.382 1.00 0.00 H new ATOM 0 HG3 MET A 124 -8.054 -9.685 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 124 -12.308 -8.296 -0.826 1.00 0.00 H new ATOM 0 HE2 MET A 124 -11.632 -9.910 -1.150 1.00 0.00 H new ATOM 0 HE3 MET A 124 -12.285 -9.525 0.460 1.00 0.00 H new ATOM 736 N ASN A 125 -7.680 -7.044 -4.379 1.00 0.00 N ATOM 737 CA ASN A 125 -6.554 -6.778 -5.265 1.00 0.00 C ATOM 738 C ASN A 125 -5.436 -6.073 -4.511 1.00 0.00 C ATOM 739 O ASN A 125 -5.636 -4.992 -3.956 1.00 0.00 O ATOM 740 CB ASN A 125 -6.998 -5.929 -6.458 1.00 0.00 C ATOM 741 CG ASN A 125 -7.042 -4.450 -6.130 1.00 0.00 C ATOM 742 OD1 ASN A 125 -7.529 -4.052 -5.073 1.00 0.00 O ATOM 743 ND2 ASN A 125 -6.532 -3.626 -7.039 1.00 0.00 N ATOM 0 H ASN A 125 -8.455 -6.387 -4.472 1.00 0.00 H new ATOM 0 HA ASN A 125 -6.179 -7.732 -5.635 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -6.315 -6.093 -7.292 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -7.985 -6.255 -6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -6.534 -2.620 -6.873 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -6.138 -4.000 -7.902 1.00 0.00 H new ATOM 750 N GLN A 126 -4.263 -6.688 -4.492 1.00 0.00 N ATOM 751 CA GLN A 126 -3.120 -6.116 -3.799 1.00 0.00 C ATOM 752 C GLN A 126 -2.031 -5.711 -4.787 1.00 0.00 C ATOM 753 O GLN A 126 -1.573 -6.521 -5.592 1.00 0.00 O ATOM 754 CB GLN A 126 -2.569 -7.110 -2.779 1.00 0.00 C ATOM 755 CG GLN A 126 -2.026 -8.385 -3.402 1.00 0.00 C ATOM 756 CD GLN A 126 -2.881 -9.597 -3.088 1.00 0.00 C ATOM 757 OE1 GLN A 126 -3.367 -9.754 -1.968 1.00 0.00 O ATOM 758 NE2 GLN A 126 -3.070 -10.462 -4.078 1.00 0.00 N ATOM 0 H GLN A 126 -4.078 -7.582 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 126 -3.452 -5.220 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.775 -6.629 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.358 -7.368 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -1.964 -8.259 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -1.012 -8.557 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -2.648 -10.292 -4.991 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -3.637 -11.296 -3.925 1.00 0.00 H new ATOM 767 N ILE A 127 -1.629 -4.448 -4.717 1.00 0.00 N ATOM 768 CA ILE A 127 -0.601 -3.920 -5.601 1.00 0.00 C ATOM 769 C ILE A 127 0.759 -4.543 -5.303 1.00 0.00 C ATOM 770 O ILE A 127 0.943 -5.189 -4.272 1.00 0.00 O ATOM 771 CB ILE A 127 -0.494 -2.390 -5.470 1.00 0.00 C ATOM 772 CG1 ILE A 127 -1.890 -1.762 -5.475 1.00 0.00 C ATOM 773 CG2 ILE A 127 0.359 -1.818 -6.591 1.00 0.00 C ATOM 774 CD1 ILE A 127 -2.858 -2.448 -6.415 1.00 0.00 C ATOM 0 H ILE A 127 -2.002 -3.769 -4.054 1.00 0.00 H new ATOM 0 HA ILE A 127 -0.893 -4.175 -6.620 1.00 0.00 H new ATOM 0 HB ILE A 127 -0.011 -2.152 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -2.296 -1.791 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -1.806 -0.712 -5.755 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.424 -0.735 -6.483 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.359 -2.248 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -0.094 -2.060 -7.553 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -3.827 -1.950 -6.367 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -2.474 -2.397 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -2.971 -3.492 -6.122 1.00 0.00 H new ATOM 786 N GLU A 128 1.707 -4.346 -6.213 1.00 0.00 N ATOM 787 CA GLU A 128 3.052 -4.888 -6.050 1.00 0.00 C ATOM 788 C GLU A 128 4.105 -3.849 -6.421 1.00 0.00 C ATOM 789 O GLU A 128 4.204 -3.436 -7.577 1.00 0.00 O ATOM 790 CB GLU A 128 3.229 -6.141 -6.910 1.00 0.00 C ATOM 791 CG GLU A 128 2.024 -7.067 -6.891 1.00 0.00 C ATOM 792 CD GLU A 128 1.193 -6.969 -8.155 1.00 0.00 C ATOM 793 OE1 GLU A 128 0.955 -5.836 -8.623 1.00 0.00 O ATOM 794 OE2 GLU A 128 0.780 -8.026 -8.678 1.00 0.00 O ATOM 0 H GLU A 128 1.569 -3.814 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 128 3.184 -5.155 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.430 -5.840 -7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.104 -6.690 -6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 128 2.363 -8.095 -6.762 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.399 -6.827 -6.031 1.00 0.00 H new ATOM 801 N ALA A 129 4.890 -3.430 -5.433 1.00 0.00 N ATOM 802 CA ALA A 129 5.936 -2.439 -5.655 1.00 0.00 C ATOM 803 C ALA A 129 6.650 -2.679 -6.981 1.00 0.00 C ATOM 804 O ALA A 129 6.756 -3.814 -7.444 1.00 0.00 O ATOM 805 CB ALA A 129 6.933 -2.461 -4.506 1.00 0.00 C ATOM 0 H ALA A 129 4.821 -3.762 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 129 5.467 -1.456 -5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 129 7.709 -1.717 -4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 129 6.418 -2.233 -3.573 1.00 0.00 H new ATOM 0 HB3 ALA A 129 7.387 -3.449 -4.437 1.00 0.00 H new ATOM 811 N ASP A 130 7.139 -1.601 -7.587 1.00 0.00 N ATOM 812 CA ASP A 130 7.844 -1.692 -8.861 1.00 0.00 C ATOM 813 C ASP A 130 8.838 -0.544 -9.015 1.00 0.00 C ATOM 814 O ASP A 130 9.267 -0.227 -10.125 1.00 0.00 O ATOM 815 CB ASP A 130 6.847 -1.678 -10.021 1.00 0.00 C ATOM 816 CG ASP A 130 6.031 -0.401 -10.064 1.00 0.00 C ATOM 817 OD1 ASP A 130 5.353 -0.096 -9.061 1.00 0.00 O ATOM 818 OD2 ASP A 130 6.070 0.294 -11.102 1.00 0.00 O ATOM 0 H ASP A 130 7.060 -0.654 -7.216 1.00 0.00 H new ATOM 0 HA ASP A 130 8.396 -2.632 -8.877 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.386 -1.794 -10.961 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.176 -2.532 -9.931 1.00 0.00 H new ATOM 823 N LYS A 131 9.199 0.075 -7.896 1.00 0.00 N ATOM 824 CA LYS A 131 10.141 1.188 -7.908 1.00 0.00 C ATOM 825 C LYS A 131 11.377 0.867 -7.072 1.00 0.00 C ATOM 826 O LYS A 131 12.399 1.547 -7.173 1.00 0.00 O ATOM 827 CB LYS A 131 9.469 2.457 -7.379 1.00 0.00 C ATOM 828 CG LYS A 131 8.490 3.081 -8.359 1.00 0.00 C ATOM 829 CD LYS A 131 8.595 4.598 -8.363 1.00 0.00 C ATOM 830 CE LYS A 131 9.230 5.109 -9.645 1.00 0.00 C ATOM 831 NZ LYS A 131 9.790 6.478 -9.479 1.00 0.00 N ATOM 0 H LYS A 131 8.854 -0.175 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 131 10.456 1.353 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 131 8.943 2.221 -6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 131 10.238 3.189 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.684 2.699 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 131 7.474 2.786 -8.097 1.00 0.00 H new ATOM 0 HD2 LYS A 131 7.602 5.033 -8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 131 9.186 4.925 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 131 10.022 4.428 -9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 131 8.486 5.115 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 10.214 6.791 -10.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 9.029 7.134 -9.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 10.518 6.467 -8.737 1.00 0.00 H new ATOM 845 N SER A 132 11.277 -0.171 -6.249 1.00 0.00 N ATOM 846 CA SER A 132 12.388 -0.581 -5.397 1.00 0.00 C ATOM 847 C SER A 132 12.700 0.490 -4.357 1.00 0.00 C ATOM 848 O SER A 132 12.789 1.675 -4.678 1.00 0.00 O ATOM 849 CB SER A 132 13.630 -0.862 -6.245 1.00 0.00 C ATOM 850 OG SER A 132 13.684 -2.223 -6.635 1.00 0.00 O ATOM 0 H SER A 132 10.438 -0.744 -6.154 1.00 0.00 H new ATOM 0 HA SER A 132 12.097 -1.493 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 132 13.621 -0.227 -7.131 1.00 0.00 H new ATOM 0 HB3 SER A 132 14.526 -0.607 -5.679 1.00 0.00 H new ATOM 0 HG SER A 132 14.223 -2.309 -7.449 1.00 0.00 H new ATOM 856 N GLY A 133 12.866 0.064 -3.108 1.00 0.00 N ATOM 857 CA GLY A 133 13.166 0.998 -2.039 1.00 0.00 C ATOM 858 C GLY A 133 12.610 0.547 -0.702 1.00 0.00 C ATOM 859 O GLY A 133 12.034 -0.535 -0.597 1.00 0.00 O ATOM 0 H GLY A 133 12.798 -0.912 -2.818 1.00 0.00 H new ATOM 0 HA2 GLY A 133 14.246 1.118 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 133 12.755 1.976 -2.289 1.00 0.00 H new ATOM 863 N THR A 134 12.784 1.378 0.321 1.00 0.00 N ATOM 864 CA THR A 134 12.294 1.056 1.657 1.00 0.00 C ATOM 865 C THR A 134 11.075 1.903 2.006 1.00 0.00 C ATOM 866 O THR A 134 11.020 3.092 1.692 1.00 0.00 O ATOM 867 CB THR A 134 13.395 1.277 2.694 1.00 0.00 C ATOM 868 OG1 THR A 134 14.501 0.428 2.440 1.00 0.00 O ATOM 869 CG2 THR A 134 12.938 1.023 4.115 1.00 0.00 C ATOM 0 H THR A 134 13.260 2.278 0.251 1.00 0.00 H new ATOM 0 HA THR A 134 12.001 0.006 1.667 1.00 0.00 H new ATOM 0 HB THR A 134 13.673 2.327 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.196 0.585 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 134 13.767 1.198 4.801 1.00 0.00 H new ATOM 0 HG22 THR A 134 12.117 1.697 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 134 12.600 -0.009 4.210 1.00 0.00 H new ATOM 877 N VAL A 135 10.097 1.283 2.659 1.00 0.00 N ATOM 878 CA VAL A 135 8.878 1.979 3.051 1.00 0.00 C ATOM 879 C VAL A 135 9.138 2.931 4.213 1.00 0.00 C ATOM 880 O VAL A 135 9.487 2.502 5.314 1.00 0.00 O ATOM 881 CB VAL A 135 7.768 0.990 3.452 1.00 0.00 C ATOM 882 CG1 VAL A 135 6.539 1.735 3.946 1.00 0.00 C ATOM 883 CG2 VAL A 135 7.415 0.079 2.284 1.00 0.00 C ATOM 0 H VAL A 135 10.126 0.299 2.928 1.00 0.00 H new ATOM 0 HA VAL A 135 8.548 2.550 2.183 1.00 0.00 H new ATOM 0 HB VAL A 135 8.139 0.370 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 135 5.766 1.018 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 135 6.804 2.338 4.814 1.00 0.00 H new ATOM 0 HG13 VAL A 135 6.164 2.384 3.154 1.00 0.00 H new ATOM 0 HG21 VAL A 135 6.629 -0.613 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 135 7.065 0.681 1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 135 8.298 -0.485 1.982 1.00 0.00 H new ATOM 893 N LYS A 136 8.965 4.224 3.962 1.00 0.00 N ATOM 894 CA LYS A 136 9.181 5.236 4.989 1.00 0.00 C ATOM 895 C LYS A 136 8.080 5.181 6.043 1.00 0.00 C ATOM 896 O LYS A 136 8.354 5.208 7.243 1.00 0.00 O ATOM 897 CB LYS A 136 9.230 6.630 4.360 1.00 0.00 C ATOM 898 CG LYS A 136 10.450 7.441 4.769 1.00 0.00 C ATOM 899 CD LYS A 136 10.390 7.834 6.236 1.00 0.00 C ATOM 900 CE LYS A 136 11.777 8.118 6.794 1.00 0.00 C ATOM 901 NZ LYS A 136 11.799 8.061 8.282 1.00 0.00 N ATOM 0 H LYS A 136 8.676 4.596 3.057 1.00 0.00 H new ATOM 0 HA LYS A 136 10.136 5.030 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 136 9.218 6.530 3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.330 7.177 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 136 11.353 6.860 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 136 10.515 8.338 4.153 1.00 0.00 H new ATOM 0 HD2 LYS A 136 9.762 8.717 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 136 9.923 7.033 6.809 1.00 0.00 H new ATOM 0 HE2 LYS A 136 12.485 7.393 6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 136 12.107 9.103 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 12.761 8.260 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 11.142 8.770 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 11.509 7.113 8.597 1.00 0.00 H new ATOM 915 N ALA A 137 6.834 5.102 5.587 1.00 0.00 N ATOM 916 CA ALA A 137 5.694 5.043 6.493 1.00 0.00 C ATOM 917 C ALA A 137 4.376 5.146 5.733 1.00 0.00 C ATOM 918 O ALA A 137 4.309 5.756 4.666 1.00 0.00 O ATOM 919 CB ALA A 137 5.791 6.146 7.536 1.00 0.00 C ATOM 0 H ALA A 137 6.589 5.077 4.597 1.00 0.00 H new ATOM 0 HA ALA A 137 5.715 4.077 6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 137 4.933 6.090 8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 137 6.709 6.023 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 137 5.801 7.116 7.040 1.00 0.00 H new ATOM 925 N ILE A 138 3.331 4.545 6.293 1.00 0.00 N ATOM 926 CA ILE A 138 2.011 4.567 5.674 1.00 0.00 C ATOM 927 C ILE A 138 1.142 5.663 6.282 1.00 0.00 C ATOM 928 O ILE A 138 1.147 5.873 7.495 1.00 0.00 O ATOM 929 CB ILE A 138 1.295 3.208 5.831 1.00 0.00 C ATOM 930 CG1 ILE A 138 1.950 2.153 4.937 1.00 0.00 C ATOM 931 CG2 ILE A 138 -0.187 3.341 5.504 1.00 0.00 C ATOM 932 CD1 ILE A 138 1.071 0.948 4.681 1.00 0.00 C ATOM 0 H ILE A 138 3.373 4.036 7.176 1.00 0.00 H new ATOM 0 HA ILE A 138 2.158 4.770 4.613 1.00 0.00 H new ATOM 0 HB ILE A 138 1.388 2.888 6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 138 2.214 2.610 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.880 1.823 5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -0.674 2.373 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -0.646 4.062 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -0.303 3.684 4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.599 0.242 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 138 0.828 0.467 5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 138 0.152 1.266 4.190 1.00 0.00 H new ATOM 944 N LEU A 139 0.390 6.354 5.431 1.00 0.00 N ATOM 945 CA LEU A 139 -0.491 7.423 5.885 1.00 0.00 C ATOM 946 C LEU A 139 -1.936 6.944 5.929 1.00 0.00 C ATOM 947 O LEU A 139 -2.636 7.133 6.925 1.00 0.00 O ATOM 948 CB LEU A 139 -0.383 8.635 4.960 1.00 0.00 C ATOM 949 CG LEU A 139 0.590 9.721 5.423 1.00 0.00 C ATOM 950 CD1 LEU A 139 1.735 9.108 6.214 1.00 0.00 C ATOM 951 CD2 LEU A 139 1.120 10.503 4.231 1.00 0.00 C ATOM 0 H LEU A 139 0.373 6.193 4.424 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.181 7.711 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -0.077 8.292 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -1.373 9.078 4.851 1.00 0.00 H new ATOM 0 HG LEU A 139 0.054 10.411 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 139 2.417 9.895 6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 139 1.338 8.592 7.088 1.00 0.00 H new ATOM 0 HD13 LEU A 139 2.271 8.397 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 139 1.811 11.272 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 139 1.641 9.826 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 139 0.289 10.973 3.705 1.00 0.00 H new ATOM 963 N VAL A 140 -2.375 6.324 4.840 1.00 0.00 N ATOM 964 CA VAL A 140 -3.735 5.819 4.746 1.00 0.00 C ATOM 965 C VAL A 140 -4.214 5.271 6.085 1.00 0.00 C ATOM 966 O VAL A 140 -3.540 4.456 6.715 1.00 0.00 O ATOM 967 CB VAL A 140 -3.855 4.716 3.672 1.00 0.00 C ATOM 968 CG1 VAL A 140 -5.143 3.921 3.847 1.00 0.00 C ATOM 969 CG2 VAL A 140 -3.786 5.323 2.281 1.00 0.00 C ATOM 0 H VAL A 140 -1.806 6.160 4.010 1.00 0.00 H new ATOM 0 HA VAL A 140 -4.365 6.661 4.459 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.017 4.029 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -5.203 3.151 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.150 3.452 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -5.999 4.590 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -3.872 4.533 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -4.603 6.033 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.834 5.838 2.156 1.00 0.00 H new ATOM 979 N GLU A 141 -5.391 5.718 6.499 1.00 0.00 N ATOM 980 CA GLU A 141 -5.985 5.274 7.750 1.00 0.00 C ATOM 981 C GLU A 141 -6.351 3.801 7.651 1.00 0.00 C ATOM 982 O GLU A 141 -7.521 3.431 7.742 1.00 0.00 O ATOM 983 CB GLU A 141 -7.226 6.104 8.077 1.00 0.00 C ATOM 984 CG GLU A 141 -6.911 7.538 8.470 1.00 0.00 C ATOM 985 CD GLU A 141 -7.134 8.516 7.333 1.00 0.00 C ATOM 986 OE1 GLU A 141 -6.854 8.149 6.172 1.00 0.00 O ATOM 987 OE2 GLU A 141 -7.586 9.648 7.602 1.00 0.00 O ATOM 0 H GLU A 141 -5.956 6.392 5.982 1.00 0.00 H new ATOM 0 HA GLU A 141 -5.259 5.409 8.552 1.00 0.00 H new ATOM 0 HB2 GLU A 141 -7.888 6.110 7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 141 -7.770 5.624 8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 141 -7.534 7.824 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 141 -5.874 7.601 8.801 1.00 0.00 H new ATOM 994 N SER A 142 -5.333 2.974 7.451 1.00 0.00 N ATOM 995 CA SER A 142 -5.512 1.537 7.324 1.00 0.00 C ATOM 996 C SER A 142 -6.684 1.051 8.175 1.00 0.00 C ATOM 997 O SER A 142 -7.039 1.678 9.172 1.00 0.00 O ATOM 998 CB SER A 142 -4.226 0.831 7.732 1.00 0.00 C ATOM 999 OG SER A 142 -4.206 -0.509 7.273 1.00 0.00 O ATOM 0 H SER A 142 -4.363 3.281 7.373 1.00 0.00 H new ATOM 0 HA SER A 142 -5.740 1.301 6.285 1.00 0.00 H new ATOM 0 HB2 SER A 142 -3.369 1.369 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 142 -4.128 0.847 8.818 1.00 0.00 H new ATOM 0 HG SER A 142 -3.929 -0.529 6.333 1.00 0.00 H new ATOM 1005 N GLY A 143 -7.293 -0.063 7.770 1.00 0.00 N ATOM 1006 CA GLY A 143 -8.425 -0.588 8.505 1.00 0.00 C ATOM 1007 C GLY A 143 -9.709 0.134 8.149 1.00 0.00 C ATOM 1008 O GLY A 143 -10.784 -0.207 8.646 1.00 0.00 O ATOM 0 H GLY A 143 -7.022 -0.606 6.950 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -8.535 -1.652 8.293 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -8.239 -0.494 9.575 1.00 0.00 H new ATOM 1012 N GLN A 144 -9.593 1.137 7.282 1.00 0.00 N ATOM 1013 CA GLN A 144 -10.745 1.920 6.849 1.00 0.00 C ATOM 1014 C GLN A 144 -10.759 2.061 5.329 1.00 0.00 C ATOM 1015 O GLN A 144 -9.733 1.890 4.670 1.00 0.00 O ATOM 1016 CB GLN A 144 -10.721 3.303 7.501 1.00 0.00 C ATOM 1017 CG GLN A 144 -10.657 3.258 9.019 1.00 0.00 C ATOM 1018 CD GLN A 144 -11.223 4.508 9.664 1.00 0.00 C ATOM 1019 OE1 GLN A 144 -11.844 4.447 10.725 1.00 0.00 O ATOM 1020 NE2 GLN A 144 -11.010 5.652 9.023 1.00 0.00 N ATOM 0 H GLN A 144 -8.709 1.427 6.865 1.00 0.00 H new ATOM 0 HA GLN A 144 -11.650 1.397 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 144 -9.861 3.858 7.126 1.00 0.00 H new ATOM 0 HB3 GLN A 144 -11.612 3.853 7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 144 -11.208 2.388 9.376 1.00 0.00 H new ATOM 0 HG3 GLN A 144 -9.621 3.130 9.332 1.00 0.00 H new ATOM 0 HE21 GLN A 144 -10.490 5.656 8.146 1.00 0.00 H new ATOM 0 HE22 GLN A 144 -11.367 6.527 9.408 1.00 0.00 H new ATOM 1029 N PRO A 145 -11.930 2.373 4.751 1.00 0.00 N ATOM 1030 CA PRO A 145 -12.080 2.534 3.304 1.00 0.00 C ATOM 1031 C PRO A 145 -11.554 3.878 2.806 1.00 0.00 C ATOM 1032 O PRO A 145 -12.120 4.927 3.110 1.00 0.00 O ATOM 1033 CB PRO A 145 -13.590 2.443 3.105 1.00 0.00 C ATOM 1034 CG PRO A 145 -14.166 2.972 4.374 1.00 0.00 C ATOM 1035 CD PRO A 145 -13.201 2.588 5.467 1.00 0.00 C ATOM 0 HA PRO A 145 -11.512 1.790 2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 145 -13.913 3.032 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 145 -13.905 1.415 2.924 1.00 0.00 H new ATOM 0 HG2 PRO A 145 -14.288 4.054 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 145 -15.153 2.548 4.560 1.00 0.00 H new ATOM 0 HD2 PRO A 145 -13.111 3.375 6.216 1.00 0.00 H new ATOM 0 HD3 PRO A 145 -13.524 1.687 5.988 1.00 0.00 H new ATOM 1043 N VAL A 146 -10.471 3.838 2.034 1.00 0.00 N ATOM 1044 CA VAL A 146 -9.876 5.054 1.492 1.00 0.00 C ATOM 1045 C VAL A 146 -10.805 5.708 0.476 1.00 0.00 C ATOM 1046 O VAL A 146 -11.862 5.166 0.150 1.00 0.00 O ATOM 1047 CB VAL A 146 -8.518 4.769 0.821 1.00 0.00 C ATOM 1048 CG1 VAL A 146 -7.578 4.069 1.790 1.00 0.00 C ATOM 1049 CG2 VAL A 146 -8.709 3.940 -0.440 1.00 0.00 C ATOM 0 H VAL A 146 -9.989 2.978 1.771 1.00 0.00 H new ATOM 0 HA VAL A 146 -9.719 5.732 2.331 1.00 0.00 H new ATOM 0 HB VAL A 146 -8.067 5.720 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -6.625 3.877 1.297 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -7.415 4.704 2.661 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -8.020 3.124 2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -7.740 3.749 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -9.183 2.992 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -9.342 4.484 -1.141 1.00 0.00 H new ATOM 1059 N GLU A 147 -10.411 6.876 -0.021 1.00 0.00 N ATOM 1060 CA GLU A 147 -11.217 7.599 -0.998 1.00 0.00 C ATOM 1061 C GLU A 147 -10.338 8.270 -2.047 1.00 0.00 C ATOM 1062 O GLU A 147 -10.345 9.493 -2.187 1.00 0.00 O ATOM 1063 CB GLU A 147 -12.083 8.646 -0.296 1.00 0.00 C ATOM 1064 CG GLU A 147 -12.871 8.093 0.880 1.00 0.00 C ATOM 1065 CD GLU A 147 -14.336 8.476 0.832 1.00 0.00 C ATOM 1066 OE1 GLU A 147 -14.679 9.425 0.095 1.00 0.00 O ATOM 1067 OE2 GLU A 147 -15.142 7.829 1.534 1.00 0.00 O ATOM 0 H GLU A 147 -9.540 7.341 0.236 1.00 0.00 H new ATOM 0 HA GLU A 147 -11.861 6.879 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 147 -11.445 9.458 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 147 -12.777 9.075 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 147 -12.784 7.007 0.892 1.00 0.00 H new ATOM 0 HG3 GLU A 147 -12.434 8.458 1.809 1.00 0.00 H new ATOM 1074 N PHE A 148 -9.583 7.462 -2.785 1.00 0.00 N ATOM 1075 CA PHE A 148 -8.701 7.980 -3.823 1.00 0.00 C ATOM 1076 C PHE A 148 -7.745 9.023 -3.254 1.00 0.00 C ATOM 1077 O PHE A 148 -8.018 9.632 -2.220 1.00 0.00 O ATOM 1078 CB PHE A 148 -9.526 8.581 -4.962 1.00 0.00 C ATOM 1079 CG PHE A 148 -8.783 9.597 -5.782 1.00 0.00 C ATOM 1080 CD1 PHE A 148 -7.827 9.198 -6.708 1.00 0.00 C ATOM 1081 CD2 PHE A 148 -9.041 10.954 -5.628 1.00 0.00 C ATOM 1082 CE1 PHE A 148 -7.140 10.133 -7.466 1.00 0.00 C ATOM 1083 CE2 PHE A 148 -8.357 11.896 -6.383 1.00 0.00 C ATOM 1084 CZ PHE A 148 -7.406 11.484 -7.303 1.00 0.00 C ATOM 0 H PHE A 148 -9.565 6.447 -2.683 1.00 0.00 H new ATOM 0 HA PHE A 148 -8.108 7.153 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 148 -9.864 7.777 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 148 -10.418 9.048 -4.544 1.00 0.00 H new ATOM 0 HD1 PHE A 148 -7.617 8.147 -6.839 1.00 0.00 H new ATOM 0 HD2 PHE A 148 -9.782 11.279 -4.913 1.00 0.00 H new ATOM 0 HE1 PHE A 148 -6.399 9.810 -8.182 1.00 0.00 H new ATOM 0 HE2 PHE A 148 -8.565 12.948 -6.254 1.00 0.00 H new ATOM 0 HZ PHE A 148 -6.872 12.215 -7.893 1.00 0.00 H new ATOM 1094 N ASP A 149 -6.622 9.224 -3.935 1.00 0.00 N ATOM 1095 CA ASP A 149 -5.625 10.194 -3.495 1.00 0.00 C ATOM 1096 C ASP A 149 -5.224 9.940 -2.046 1.00 0.00 C ATOM 1097 O ASP A 149 -5.003 10.878 -1.279 1.00 0.00 O ATOM 1098 CB ASP A 149 -6.167 11.616 -3.644 1.00 0.00 C ATOM 1099 CG ASP A 149 -5.248 12.501 -4.464 1.00 0.00 C ATOM 1100 OD1 ASP A 149 -4.174 12.018 -4.878 1.00 0.00 O ATOM 1101 OD2 ASP A 149 -5.603 13.676 -4.690 1.00 0.00 O ATOM 0 H ASP A 149 -6.379 8.729 -4.793 1.00 0.00 H new ATOM 0 HA ASP A 149 -4.742 10.082 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 149 -7.149 11.580 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 149 -6.304 12.055 -2.656 1.00 0.00 H new ATOM 1106 N GLU A 150 -5.130 8.667 -1.678 1.00 0.00 N ATOM 1107 CA GLU A 150 -4.755 8.289 -0.322 1.00 0.00 C ATOM 1108 C GLU A 150 -3.392 7.604 -0.311 1.00 0.00 C ATOM 1109 O GLU A 150 -3.230 6.514 -0.858 1.00 0.00 O ATOM 1110 CB GLU A 150 -5.813 7.361 0.280 1.00 0.00 C ATOM 1111 CG GLU A 150 -6.345 7.833 1.623 1.00 0.00 C ATOM 1112 CD GLU A 150 -5.290 8.534 2.455 1.00 0.00 C ATOM 1113 OE1 GLU A 150 -4.268 7.895 2.779 1.00 0.00 O ATOM 1114 OE2 GLU A 150 -5.484 9.724 2.780 1.00 0.00 O ATOM 0 H GLU A 150 -5.309 7.879 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 150 -4.692 9.195 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 150 -6.644 7.270 -0.419 1.00 0.00 H new ATOM 0 HB3 GLU A 150 -5.386 6.365 0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 150 -7.183 8.511 1.460 1.00 0.00 H new ATOM 0 HG3 GLU A 150 -6.730 6.978 2.178 1.00 0.00 H new ATOM 1121 N PRO A 151 -2.389 8.242 0.312 1.00 0.00 N ATOM 1122 CA PRO A 151 -1.031 7.696 0.392 1.00 0.00 C ATOM 1123 C PRO A 151 -0.990 6.343 1.093 1.00 0.00 C ATOM 1124 O PRO A 151 -0.872 6.268 2.316 1.00 0.00 O ATOM 1125 CB PRO A 151 -0.260 8.746 1.205 1.00 0.00 C ATOM 1126 CG PRO A 151 -1.308 9.550 1.896 1.00 0.00 C ATOM 1127 CD PRO A 151 -2.500 9.544 0.986 1.00 0.00 C ATOM 0 HA PRO A 151 -0.610 7.517 -0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 151 0.411 8.274 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 151 0.354 9.372 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -1.555 9.118 2.866 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -0.962 10.567 2.079 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -3.433 9.633 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -2.471 10.371 0.276 1.00 0.00 H new ATOM 1135 N LEU A 152 -1.093 5.276 0.308 1.00 0.00 N ATOM 1136 CA LEU A 152 -1.073 3.922 0.850 1.00 0.00 C ATOM 1137 C LEU A 152 0.266 3.617 1.516 1.00 0.00 C ATOM 1138 O LEU A 152 0.310 3.180 2.665 1.00 0.00 O ATOM 1139 CB LEU A 152 -1.347 2.905 -0.260 1.00 0.00 C ATOM 1140 CG LEU A 152 -2.746 2.981 -0.875 1.00 0.00 C ATOM 1141 CD1 LEU A 152 -2.707 2.574 -2.339 1.00 0.00 C ATOM 1142 CD2 LEU A 152 -3.715 2.102 -0.100 1.00 0.00 C ATOM 0 H LEU A 152 -1.191 5.323 -0.706 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.856 3.849 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.610 3.046 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.197 1.903 0.141 1.00 0.00 H new ATOM 0 HG LEU A 152 -3.095 4.012 -0.816 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -3.711 2.634 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -2.043 3.244 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.339 1.551 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -4.705 2.167 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.371 1.068 -0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.764 2.440 0.935 1.00 0.00 H new ATOM 1154 N VAL A 153 1.354 3.848 0.789 1.00 0.00 N ATOM 1155 CA VAL A 153 2.690 3.595 1.315 1.00 0.00 C ATOM 1156 C VAL A 153 3.732 4.475 0.633 1.00 0.00 C ATOM 1157 O VAL A 153 3.832 4.498 -0.594 1.00 0.00 O ATOM 1158 CB VAL A 153 3.094 2.119 1.137 1.00 0.00 C ATOM 1159 CG1 VAL A 153 4.234 1.760 2.079 1.00 0.00 C ATOM 1160 CG2 VAL A 153 1.899 1.206 1.363 1.00 0.00 C ATOM 0 H VAL A 153 1.337 4.209 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 153 2.656 3.834 2.378 1.00 0.00 H new ATOM 0 HB VAL A 153 3.441 1.978 0.113 1.00 0.00 H new ATOM 0 HG11 VAL A 153 4.506 0.714 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 153 5.096 2.391 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 153 3.917 1.918 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 153 2.205 0.168 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 153 1.519 1.348 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 153 1.116 1.447 0.644 1.00 0.00 H new ATOM 1170 N VAL A 154 4.509 5.191 1.437 1.00 0.00 N ATOM 1171 CA VAL A 154 5.549 6.069 0.913 1.00 0.00 C ATOM 1172 C VAL A 154 6.928 5.440 1.083 1.00 0.00 C ATOM 1173 O VAL A 154 7.340 5.120 2.198 1.00 0.00 O ATOM 1174 CB VAL A 154 5.533 7.443 1.610 1.00 0.00 C ATOM 1175 CG1 VAL A 154 4.114 7.980 1.702 1.00 0.00 C ATOM 1176 CG2 VAL A 154 6.166 7.351 2.991 1.00 0.00 C ATOM 0 H VAL A 154 4.439 5.181 2.455 1.00 0.00 H new ATOM 0 HA VAL A 154 5.341 6.210 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 154 6.122 8.138 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 154 4.124 8.951 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 154 3.700 8.088 0.699 1.00 0.00 H new ATOM 0 HG13 VAL A 154 3.499 7.286 2.275 1.00 0.00 H new ATOM 0 HG21 VAL A 154 6.145 8.331 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 154 5.608 6.640 3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 154 7.199 7.016 2.896 1.00 0.00 H new ATOM 1186 N ILE A 155 7.633 5.260 -0.028 1.00 0.00 N ATOM 1187 CA ILE A 155 8.963 4.665 0.002 1.00 0.00 C ATOM 1188 C ILE A 155 10.048 5.730 -0.100 1.00 0.00 C ATOM 1189 O ILE A 155 9.973 6.629 -0.937 1.00 0.00 O ATOM 1190 CB ILE A 155 9.148 3.648 -1.141 1.00 0.00 C ATOM 1191 CG1 ILE A 155 7.876 2.817 -1.320 1.00 0.00 C ATOM 1192 CG2 ILE A 155 10.342 2.747 -0.861 1.00 0.00 C ATOM 1193 CD1 ILE A 155 7.096 3.167 -2.570 1.00 0.00 C ATOM 0 H ILE A 155 7.306 5.517 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 155 9.056 4.149 0.958 1.00 0.00 H new ATOM 0 HB ILE A 155 9.339 4.192 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 155 8.143 1.761 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 155 7.235 2.957 -0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.459 2.034 -1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 155 11.244 3.354 -0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 155 10.179 2.207 0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 155 6.207 2.539 -2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 155 6.798 4.215 -2.531 1.00 0.00 H new ATOM 0 HD13 ILE A 155 7.721 3.000 -3.447 1.00 0.00 H new ATOM 1205 N GLU A 156 11.057 5.622 0.759 1.00 0.00 N ATOM 1206 CA GLU A 156 12.160 6.576 0.765 1.00 0.00 C ATOM 1207 C GLU A 156 13.107 6.321 -0.403 1.00 0.00 C ATOM 1208 O GLU A 156 13.299 7.246 -1.221 1.00 0.00 O ATOM 1209 CB GLU A 156 12.928 6.492 2.086 1.00 0.00 C ATOM 1210 CG GLU A 156 14.172 7.366 2.125 1.00 0.00 C ATOM 1211 CD GLU A 156 13.936 8.686 2.835 1.00 0.00 C ATOM 1212 OE1 GLU A 156 13.827 8.679 4.079 1.00 0.00 O ATOM 1213 OE2 GLU A 156 13.860 9.725 2.147 1.00 0.00 O ATOM 1214 OXT GLU A 156 13.650 5.200 -0.490 1.00 0.00 O ATOM 0 H GLU A 156 11.133 4.884 1.459 1.00 0.00 H new ATOM 0 HA GLU A 156 11.741 7.577 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 156 12.265 6.782 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 156 13.217 5.456 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 156 14.975 6.826 2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 156 14.507 7.561 1.106 1.00 0.00 H new TER 1221 GLU A 156 HETATM 1222 C11 BTN A 222 -13.876 -7.545 3.154 1.00 0.00 C HETATM 1223 O11 BTN A 222 -14.574 -8.125 3.986 1.00 0.00 O HETATM 1224 C10 BTN A 222 -13.088 -6.326 3.592 1.00 0.00 C HETATM 1225 C9 BTN A 222 -12.788 -6.329 5.081 1.00 0.00 C HETATM 1226 C8 BTN A 222 -12.106 -7.618 5.509 1.00 0.00 C HETATM 1227 C7 BTN A 222 -10.652 -7.381 5.882 1.00 0.00 C HETATM 1228 C2 BTN A 222 -9.716 -7.275 4.672 1.00 0.00 C HETATM 1229 S1 BTN A 222 -10.004 -8.522 3.353 1.00 0.00 S HETATM 1230 C6 BTN A 222 -8.944 -9.746 4.232 1.00 0.00 C HETATM 1231 C5 BTN A 222 -7.818 -8.942 4.879 1.00 0.00 C HETATM 1232 N1 BTN A 222 -7.554 -9.358 6.253 1.00 0.00 N HETATM 1233 C3 BTN A 222 -7.754 -8.406 7.167 1.00 0.00 C HETATM 1234 O3 BTN A 222 -7.599 -8.516 8.383 1.00 0.00 O HETATM 1235 N2 BTN A 222 -8.152 -7.315 6.516 1.00 0.00 N HETATM 1236 C4 BTN A 222 -8.245 -7.486 5.071 1.00 0.00 C HETATM 0 H102 BTN A 222 -12.151 -6.285 3.036 1.00 0.00 H new HETATM 0 H101 BTN A 222 -13.648 -5.426 3.340 1.00 0.00 H new HETATM 0 HN2 BTN A 222 -8.372 -6.437 6.986 1.00 0.00 H new HETATM 0 HN1 BTN A 222 -7.242 -10.299 6.495 1.00 0.00 H new HETATM 0 H92 BTN A 222 -12.150 -5.480 5.326 1.00 0.00 H new HETATM 0 H91 BTN A 222 -13.715 -6.204 5.640 1.00 0.00 H new HETATM 0 H82 BTN A 222 -12.636 -8.046 6.360 1.00 0.00 H new HETATM 0 H81 BTN A 222 -12.161 -8.346 4.700 1.00 0.00 H new HETATM 0 H72 BTN A 222 -10.581 -6.464 6.467 1.00 0.00 H new HETATM 0 H71 BTN A 222 -10.313 -8.195 6.523 1.00 0.00 H new HETATM 0 H62 BTN A 222 -9.517 -10.289 4.984 1.00 0.00 H new HETATM 0 H61 BTN A 222 -8.546 -10.486 3.538 1.00 0.00 H new HETATM 0 H5 BTN A 222 -6.962 -9.086 4.220 1.00 0.00 H new HETATM 0 H4 BTN A 222 -7.642 -6.800 4.475 1.00 0.00 H new HETATM 0 H2 BTN A 222 -9.930 -6.274 4.298 1.00 0.00 H new