USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 82 GLN :FLIP amide:sc= -3.17! C(o=-5.5!,f=-3.2!) USER MOD Set 1.2: A 84 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 66 THR OG1 : rot -64:sc= 1.17 USER MOD Set 2.2: A 121 TYR OH : rot 30:sc= 1.11 USER MOD Single : A 35 MET CE :methyl -134:sc= -0.137 (180deg=-0.924) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -158:sc= -0.181 (180deg=-1.45!) USER MOD Single : A 60 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.2!) USER MOD Single : A 62 ASN : amide:sc= -1.04! C(o=-1!,f=-6.3!) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -2.66! C(o=-5.2!,f=-2.7!) USER MOD Single : A 78 MET CE :methyl -165:sc= -6.03! (180deg=-6.87!) USER MOD Single : A 80 ASN : amide:sc= 0.15 X(o=0.15,f=-0.15) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 173:sc= -1.5! (180deg=-1.58!) USER MOD Single : A 93 SER OG : rot 96:sc= 0.274 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 97 ASN : amide:sc= -5.12! C(o=-5.1!,f=-11!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.445 F(o=-4.1!,f=-0.44) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -90:sc= 1.19 USER MOD Single : A 120 LYS NZ :NH3+ -104:sc= 0.578 (180deg=-1.55) USER MOD Single : A 125 GLN : amide:sc= -2.97! C(o=-3!,f=-4.2!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 168:sc= -0.707 (180deg=-0.963) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot 140:sc=-0.00388 USER MOD Single : A 135 NAG O6 : rot 120:sc= -0.261 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -6.638 -7.254 -5.740 1.00 0.00 N ATOM 2 CA GLY A 29 -7.680 -6.947 -4.719 1.00 0.00 C ATOM 3 C GLY A 29 -7.083 -7.075 -3.325 1.00 0.00 C ATOM 4 O GLY A 29 -5.971 -6.612 -3.072 1.00 0.00 O ATOM 0 HA2 GLY A 29 -8.065 -5.938 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.523 -7.629 -4.829 1.00 0.00 H new ATOM 10 N LEU A 30 -7.825 -7.704 -2.420 1.00 0.00 N ATOM 11 CA LEU A 30 -7.347 -7.878 -1.054 1.00 0.00 C ATOM 12 C LEU A 30 -6.142 -8.817 -1.026 1.00 0.00 C ATOM 13 O LEU A 30 -6.073 -9.774 -1.798 1.00 0.00 O ATOM 14 CB LEU A 30 -8.468 -8.439 -0.177 1.00 0.00 C ATOM 15 CG LEU A 30 -9.474 -7.331 0.147 1.00 0.00 C ATOM 16 CD1 LEU A 30 -10.306 -7.010 -1.097 1.00 0.00 C ATOM 17 CD2 LEU A 30 -10.402 -7.794 1.272 1.00 0.00 C ATOM 0 H LEU A 30 -8.748 -8.097 -2.604 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.041 -6.907 -0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.969 -9.259 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.052 -8.847 0.744 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.935 -6.438 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.021 -6.221 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.647 -6.677 -1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.843 -7.903 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.117 -7.004 1.502 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.938 -8.689 0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.812 -8.019 2.161 1.00 0.00 H new ATOM 29 N PRO A 31 -5.195 -8.560 -0.158 1.00 0.00 N ATOM 30 CA PRO A 31 -3.962 -9.397 -0.033 1.00 0.00 C ATOM 31 C PRO A 31 -4.285 -10.845 0.315 1.00 0.00 C ATOM 32 O PRO A 31 -5.179 -11.116 1.117 1.00 0.00 O ATOM 33 CB PRO A 31 -3.170 -8.729 1.098 1.00 0.00 C ATOM 34 CG PRO A 31 -4.162 -7.892 1.836 1.00 0.00 C ATOM 35 CD PRO A 31 -5.193 -7.451 0.804 1.00 0.00 C ATOM 0 HA PRO A 31 -3.409 -9.445 -0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.718 -9.473 1.754 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.358 -8.119 0.702 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.632 -8.461 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.679 -7.031 2.297 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.176 -7.305 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.914 -6.509 0.333 1.00 0.00 H new ATOM 43 N PHE A 32 -3.554 -11.769 -0.295 1.00 0.00 N ATOM 44 CA PHE A 32 -3.772 -13.188 -0.043 1.00 0.00 C ATOM 45 C PHE A 32 -2.962 -13.660 1.165 1.00 0.00 C ATOM 46 O PHE A 32 -2.931 -14.850 1.477 1.00 0.00 O ATOM 47 CB PHE A 32 -3.403 -14.002 -1.285 1.00 0.00 C ATOM 48 CG PHE A 32 -4.314 -13.604 -2.425 1.00 0.00 C ATOM 49 CD1 PHE A 32 -3.991 -12.505 -3.230 1.00 0.00 C ATOM 50 CD2 PHE A 32 -5.482 -14.337 -2.678 1.00 0.00 C ATOM 51 CE1 PHE A 32 -4.835 -12.140 -4.287 1.00 0.00 C ATOM 52 CE2 PHE A 32 -6.324 -13.970 -3.735 1.00 0.00 C ATOM 53 CZ PHE A 32 -6.001 -12.872 -4.539 1.00 0.00 C ATOM 0 H PHE A 32 -2.811 -11.564 -0.963 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.828 -13.340 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.362 -13.824 -1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.501 -15.068 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.092 -11.939 -3.036 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.732 -15.185 -2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.586 -11.293 -4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.223 -14.535 -3.930 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.651 -12.589 -5.354 1.00 0.00 H new ATOM 63 N GLY A 33 -2.313 -12.715 1.846 1.00 0.00 N ATOM 64 CA GLY A 33 -1.512 -13.040 3.026 1.00 0.00 C ATOM 65 C GLY A 33 -0.126 -13.550 2.641 1.00 0.00 C ATOM 66 O GLY A 33 0.576 -14.143 3.461 1.00 0.00 O ATOM 0 H GLY A 33 -2.326 -11.725 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.413 -12.155 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.027 -13.796 3.619 1.00 0.00 H new ATOM 70 N LEU A 34 0.264 -13.309 1.397 1.00 0.00 N ATOM 71 CA LEU A 34 1.574 -13.738 0.915 1.00 0.00 C ATOM 72 C LEU A 34 1.943 -12.989 -0.356 1.00 0.00 C ATOM 73 O LEU A 34 1.608 -13.418 -1.460 1.00 0.00 O ATOM 74 CB LEU A 34 1.583 -15.247 0.636 1.00 0.00 C ATOM 75 CG LEU A 34 0.233 -15.685 0.053 1.00 0.00 C ATOM 76 CD1 LEU A 34 0.435 -16.275 -1.345 1.00 0.00 C ATOM 77 CD2 LEU A 34 -0.389 -16.745 0.964 1.00 0.00 C ATOM 0 H LEU A 34 -0.304 -12.821 0.704 1.00 0.00 H new ATOM 0 HA LEU A 34 2.306 -13.516 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.385 -15.491 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.784 -15.794 1.557 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.427 -14.820 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.528 -16.584 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.880 -15.523 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.097 -17.139 -1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.349 -17.059 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.277 -17.605 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.539 -16.327 1.959 1.00 0.00 H new ATOM 89 N MET A 35 2.640 -11.873 -0.201 1.00 0.00 N ATOM 90 CA MET A 35 3.047 -11.089 -1.356 1.00 0.00 C ATOM 91 C MET A 35 1.825 -10.658 -2.167 1.00 0.00 C ATOM 92 O MET A 35 0.780 -11.307 -2.125 1.00 0.00 O ATOM 93 CB MET A 35 3.987 -11.926 -2.227 1.00 0.00 C ATOM 94 CG MET A 35 4.717 -11.027 -3.225 1.00 0.00 C ATOM 95 SD MET A 35 5.736 -12.047 -4.324 1.00 0.00 S ATOM 96 CE MET A 35 6.954 -12.590 -3.096 1.00 0.00 C ATOM 0 H MET A 35 2.932 -11.494 0.700 1.00 0.00 H new ATOM 0 HA MET A 35 3.566 -10.193 -1.016 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.709 -12.447 -1.599 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.419 -12.688 -2.760 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.997 -10.453 -3.808 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.342 -10.309 -2.694 1.00 0.00 H new ATOM 0 HE1 MET A 35 7.958 -12.487 -3.509 1.00 0.00 H new ATOM 0 HE2 MET A 35 6.866 -11.976 -2.200 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.772 -13.634 -2.840 1.00 0.00 H new ATOM 106 N ARG A 36 1.965 -9.560 -2.901 1.00 0.00 N ATOM 107 CA ARG A 36 0.874 -9.045 -3.722 1.00 0.00 C ATOM 108 C ARG A 36 0.930 -9.636 -5.121 1.00 0.00 C ATOM 109 O ARG A 36 2.003 -9.984 -5.615 1.00 0.00 O ATOM 110 CB ARG A 36 0.977 -7.527 -3.806 1.00 0.00 C ATOM 111 CG ARG A 36 0.714 -6.934 -2.427 1.00 0.00 C ATOM 112 CD ARG A 36 1.193 -5.488 -2.393 1.00 0.00 C ATOM 113 NE ARG A 36 0.975 -4.934 -1.067 1.00 0.00 N ATOM 114 CZ ARG A 36 -0.204 -4.439 -0.724 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.178 -4.417 -1.594 1.00 0.00 N ATOM 116 NH2 ARG A 36 -0.392 -3.978 0.479 1.00 0.00 N ATOM 0 H ARG A 36 2.822 -9.009 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.073 -9.328 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.967 -7.236 -4.158 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.256 -7.140 -4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.350 -6.981 -2.197 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.231 -7.517 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.251 -5.439 -2.649 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.657 -4.899 -3.137 1.00 0.00 H new ATOM 0 HE ARG A 36 1.740 -4.927 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.029 -4.781 -2.535 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.087 -4.036 -1.332 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.369 -3.998 1.158 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.301 -3.597 0.743 1.00 0.00 H new ATOM 130 N ARG A 37 -0.224 -9.738 -5.766 1.00 0.00 N ATOM 131 CA ARG A 37 -0.276 -10.286 -7.112 1.00 0.00 C ATOM 132 C ARG A 37 -1.286 -9.541 -7.975 1.00 0.00 C ATOM 133 O ARG A 37 -2.393 -9.226 -7.537 1.00 0.00 O ATOM 134 CB ARG A 37 -0.645 -11.768 -7.051 1.00 0.00 C ATOM 135 CG ARG A 37 -0.754 -12.343 -8.465 1.00 0.00 C ATOM 136 CD ARG A 37 -1.212 -13.804 -8.389 1.00 0.00 C ATOM 137 NE ARG A 37 -2.578 -13.889 -7.879 1.00 0.00 N ATOM 138 CZ ARG A 37 -3.256 -15.034 -7.932 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.682 -16.107 -8.396 1.00 0.00 N ATOM 140 NH2 ARG A 37 -4.491 -15.087 -7.510 1.00 0.00 N ATOM 0 H ARG A 37 -1.126 -9.452 -5.384 1.00 0.00 H new ATOM 0 HA ARG A 37 0.709 -10.169 -7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.109 -12.315 -6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.592 -11.893 -6.525 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.462 -11.759 -9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.210 -12.279 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.158 -14.259 -9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.541 -14.368 -7.741 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.018 -13.061 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.715 -16.069 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.200 -16.985 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.939 -14.250 -7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.007 -15.966 -7.552 1.00 0.00 H new ATOM 154 N GLU A 38 -0.885 -9.281 -9.210 1.00 0.00 N ATOM 155 CA GLU A 38 -1.739 -8.591 -10.167 1.00 0.00 C ATOM 156 C GLU A 38 -1.714 -9.319 -11.497 1.00 0.00 C ATOM 157 O GLU A 38 -0.660 -9.748 -11.964 1.00 0.00 O ATOM 158 CB GLU A 38 -1.274 -7.145 -10.363 1.00 0.00 C ATOM 159 CG GLU A 38 -1.699 -6.303 -9.161 1.00 0.00 C ATOM 160 CD GLU A 38 -0.823 -6.630 -7.963 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.124 -7.380 -8.136 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.098 -6.114 -6.894 1.00 0.00 O ATOM 0 H GLU A 38 0.032 -9.539 -9.575 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.757 -8.580 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.190 -7.113 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.703 -6.735 -11.277 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.619 -5.243 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.744 -6.497 -8.922 1.00 0.00 H new ATOM 169 N LEU A 39 -2.881 -9.453 -12.105 1.00 0.00 N ATOM 170 CA LEU A 39 -2.979 -10.130 -13.383 1.00 0.00 C ATOM 171 C LEU A 39 -3.946 -9.381 -14.296 1.00 0.00 C ATOM 172 O LEU A 39 -4.987 -8.906 -13.842 1.00 0.00 O ATOM 173 CB LEU A 39 -3.450 -11.570 -13.168 1.00 0.00 C ATOM 174 CG LEU A 39 -3.152 -12.405 -14.419 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.131 -13.888 -14.048 1.00 0.00 C ATOM 176 CD2 LEU A 39 -4.229 -12.171 -15.484 1.00 0.00 C ATOM 0 H LEU A 39 -3.766 -9.104 -11.736 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.999 -10.149 -13.859 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.947 -12.002 -12.303 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.519 -11.585 -12.955 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.183 -12.106 -14.818 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.919 -14.482 -14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.358 -14.065 -13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.101 -14.175 -13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.004 -12.770 -16.366 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.202 -12.460 -15.087 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.248 -11.116 -15.757 1.00 0.00 H new ATOM 188 N ALA A 40 -3.609 -9.265 -15.577 1.00 0.00 N ATOM 189 CA ALA A 40 -4.482 -8.554 -16.504 1.00 0.00 C ATOM 190 C ALA A 40 -4.555 -9.249 -17.863 1.00 0.00 C ATOM 191 O ALA A 40 -3.564 -9.786 -18.359 1.00 0.00 O ATOM 192 CB ALA A 40 -3.980 -7.124 -16.694 1.00 0.00 C ATOM 0 H ALA A 40 -2.757 -9.645 -15.990 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.483 -8.547 -16.074 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.636 -6.597 -17.387 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.978 -6.608 -15.734 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.967 -7.144 -17.097 1.00 0.00 H new ATOM 198 N CYS A 41 -5.754 -9.239 -18.441 1.00 0.00 N ATOM 199 CA CYS A 41 -6.003 -9.877 -19.731 1.00 0.00 C ATOM 200 C CYS A 41 -5.202 -9.206 -20.845 1.00 0.00 C ATOM 201 O CYS A 41 -5.138 -7.980 -20.930 1.00 0.00 O ATOM 202 CB CYS A 41 -7.496 -9.773 -20.046 1.00 0.00 C ATOM 203 SG CYS A 41 -8.456 -10.447 -18.665 1.00 0.00 S ATOM 0 H CYS A 41 -6.575 -8.792 -18.032 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.692 -10.920 -19.673 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.770 -8.732 -20.219 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.724 -10.319 -20.961 1.00 0.00 H new ATOM 208 N GLU A 42 -4.579 -10.022 -21.693 1.00 0.00 N ATOM 209 CA GLU A 42 -3.771 -9.500 -22.793 1.00 0.00 C ATOM 210 C GLU A 42 -4.493 -8.384 -23.538 1.00 0.00 C ATOM 211 O GLU A 42 -5.650 -8.526 -23.931 1.00 0.00 O ATOM 212 CB GLU A 42 -3.435 -10.618 -23.784 1.00 0.00 C ATOM 213 CG GLU A 42 -2.510 -10.075 -24.878 1.00 0.00 C ATOM 214 CD GLU A 42 -2.397 -11.092 -26.012 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.947 -12.171 -25.870 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.769 -10.771 -27.007 1.00 0.00 O ATOM 0 H GLU A 42 -4.617 -11.040 -21.641 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.856 -9.098 -22.358 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.953 -11.446 -23.264 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.350 -11.010 -24.229 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.899 -9.132 -25.261 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.523 -9.868 -24.463 1.00 0.00 H new ATOM 223 N GLY A 43 -3.780 -7.285 -23.752 1.00 0.00 N ATOM 224 CA GLY A 43 -4.329 -6.150 -24.480 1.00 0.00 C ATOM 225 C GLY A 43 -4.904 -5.069 -23.571 1.00 0.00 C ATOM 226 O GLY A 43 -5.208 -3.973 -24.046 1.00 0.00 O ATOM 0 H GLY A 43 -2.820 -7.157 -23.431 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.547 -5.714 -25.102 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.111 -6.503 -25.152 1.00 0.00 H new ATOM 230 N TYR A 44 -5.072 -5.344 -22.279 1.00 0.00 N ATOM 231 CA TYR A 44 -5.629 -4.333 -21.387 1.00 0.00 C ATOM 232 C TYR A 44 -4.570 -3.779 -20.429 1.00 0.00 C ATOM 233 O TYR A 44 -3.678 -4.500 -19.976 1.00 0.00 O ATOM 234 CB TYR A 44 -6.781 -4.937 -20.583 1.00 0.00 C ATOM 235 CG TYR A 44 -7.973 -5.133 -21.489 1.00 0.00 C ATOM 236 CD1 TYR A 44 -7.930 -6.090 -22.511 1.00 0.00 C ATOM 237 CD2 TYR A 44 -9.120 -4.352 -21.311 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.036 -6.266 -23.353 1.00 0.00 C ATOM 239 CE2 TYR A 44 -10.225 -4.527 -22.153 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.184 -5.485 -23.174 1.00 0.00 C ATOM 241 OH TYR A 44 -11.274 -5.656 -24.005 1.00 0.00 O ATOM 0 H TYR A 44 -4.838 -6.233 -21.837 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.992 -3.508 -22.000 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.477 -5.891 -20.151 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.044 -4.281 -19.754 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.044 -6.692 -22.650 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.153 -3.614 -20.524 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -9.003 -7.004 -24.140 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.110 -3.923 -22.015 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.986 -5.036 -23.743 1.00 0.00 H new ATOM 251 N PRO A 45 -4.666 -2.517 -20.103 1.00 0.00 N ATOM 252 CA PRO A 45 -3.716 -1.841 -19.164 1.00 0.00 C ATOM 253 C PRO A 45 -3.781 -2.417 -17.751 1.00 0.00 C ATOM 254 O PRO A 45 -4.834 -2.874 -17.306 1.00 0.00 O ATOM 255 CB PRO A 45 -4.163 -0.374 -19.175 1.00 0.00 C ATOM 256 CG PRO A 45 -5.567 -0.381 -19.684 1.00 0.00 C ATOM 257 CD PRO A 45 -5.693 -1.592 -20.601 1.00 0.00 C ATOM 0 HA PRO A 45 -2.680 -1.978 -19.475 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.111 0.058 -18.176 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.518 0.227 -19.816 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.277 -0.444 -18.860 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.787 0.539 -20.225 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.688 -2.033 -20.547 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.519 -1.324 -21.643 1.00 0.00 H new ATOM 265 N ILE A 46 -2.655 -2.371 -17.040 1.00 0.00 N ATOM 266 CA ILE A 46 -2.614 -2.873 -15.668 1.00 0.00 C ATOM 267 C ILE A 46 -2.167 -1.758 -14.725 1.00 0.00 C ATOM 268 O ILE A 46 -1.383 -0.888 -15.102 1.00 0.00 O ATOM 269 CB ILE A 46 -1.674 -4.078 -15.549 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.783 -4.659 -14.141 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.230 -3.648 -15.801 1.00 0.00 C ATOM 272 CD1 ILE A 46 -0.663 -5.675 -13.915 1.00 0.00 C ATOM 0 H ILE A 46 -1.771 -1.997 -17.385 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.616 -3.201 -15.390 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.958 -4.826 -16.289 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.718 -3.861 -13.402 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.753 -5.137 -14.009 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.428 -4.513 -15.714 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.145 -3.227 -16.803 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.059 -2.896 -15.066 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.744 -6.088 -12.909 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.749 -6.480 -14.645 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.303 -5.183 -14.029 1.00 0.00 H new ATOM 284 N GLU A 47 -2.708 -1.771 -13.513 1.00 0.00 N ATOM 285 CA GLU A 47 -2.393 -0.731 -12.536 1.00 0.00 C ATOM 286 C GLU A 47 -1.890 -1.316 -11.215 1.00 0.00 C ATOM 287 O GLU A 47 -2.546 -2.165 -10.612 1.00 0.00 O ATOM 288 CB GLU A 47 -3.656 0.096 -12.285 1.00 0.00 C ATOM 289 CG GLU A 47 -3.326 1.305 -11.416 1.00 0.00 C ATOM 290 CD GLU A 47 -4.612 2.069 -11.107 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.668 1.589 -11.487 1.00 0.00 O ATOM 292 OE2 GLU A 47 -4.522 3.121 -10.500 1.00 0.00 O ATOM 0 H GLU A 47 -3.361 -2.482 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.594 -0.109 -12.939 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.079 0.425 -13.234 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.411 -0.519 -11.795 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.849 0.983 -10.490 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.618 1.955 -11.930 1.00 0.00 H new ATOM 299 N LEU A 48 -0.732 -0.833 -10.760 1.00 0.00 N ATOM 300 CA LEU A 48 -0.152 -1.288 -9.496 1.00 0.00 C ATOM 301 C LEU A 48 -0.089 -0.126 -8.506 1.00 0.00 C ATOM 302 O LEU A 48 0.123 1.019 -8.907 1.00 0.00 O ATOM 303 CB LEU A 48 1.252 -1.847 -9.736 1.00 0.00 C ATOM 304 CG LEU A 48 1.190 -2.867 -10.868 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.597 -3.372 -11.192 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.316 -4.045 -10.444 1.00 0.00 C ATOM 0 H LEU A 48 -0.179 -0.128 -11.247 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.780 -2.076 -9.080 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.940 -1.041 -9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.632 -2.314 -8.828 1.00 0.00 H new ATOM 0 HG LEU A 48 0.765 -2.393 -11.753 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.545 -4.100 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.223 -2.534 -11.498 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.027 -3.842 -10.308 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.271 -4.774 -11.253 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.742 -4.513 -9.556 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.690 -3.690 -10.220 1.00 0.00 H new ATOM 318 N ARG A 49 -0.274 -0.413 -7.221 1.00 0.00 N ATOM 319 CA ARG A 49 -0.228 0.646 -6.211 1.00 0.00 C ATOM 320 C ARG A 49 0.236 0.125 -4.858 1.00 0.00 C ATOM 321 O ARG A 49 -0.209 -0.924 -4.389 1.00 0.00 O ATOM 322 CB ARG A 49 -1.606 1.290 -6.057 1.00 0.00 C ATOM 323 CG ARG A 49 -1.978 2.004 -7.354 1.00 0.00 C ATOM 324 CD ARG A 49 -3.302 2.750 -7.178 1.00 0.00 C ATOM 325 NE ARG A 49 -3.664 3.404 -8.427 1.00 0.00 N ATOM 326 CZ ARG A 49 -2.973 4.447 -8.876 1.00 0.00 C ATOM 327 NH1 ARG A 49 -2.011 4.948 -8.148 1.00 0.00 N ATOM 328 NH2 ARG A 49 -3.256 4.975 -10.035 1.00 0.00 N ATOM 0 H ARG A 49 -0.454 -1.349 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 49 0.494 1.387 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.351 0.530 -5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.599 1.998 -5.228 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.190 2.704 -7.632 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.063 1.281 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.086 2.054 -6.880 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.212 3.489 -6.382 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.458 3.057 -8.965 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.793 4.539 -7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.478 5.748 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.011 4.588 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.723 5.775 -10.375 1.00 0.00 H new ATOM 342 N CYS A 50 1.123 0.887 -4.229 1.00 0.00 N ATOM 343 CA CYS A 50 1.639 0.531 -2.918 1.00 0.00 C ATOM 344 C CYS A 50 0.920 1.340 -1.841 1.00 0.00 C ATOM 345 O CYS A 50 0.690 2.539 -2.008 1.00 0.00 O ATOM 346 CB CYS A 50 3.141 0.807 -2.843 1.00 0.00 C ATOM 347 SG CYS A 50 4.053 -0.630 -3.460 1.00 0.00 S ATOM 0 H CYS A 50 1.499 1.756 -4.608 1.00 0.00 H new ATOM 0 HA CYS A 50 1.465 -0.532 -2.754 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.389 1.689 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.431 1.020 -1.814 1.00 0.00 H new ATOM 352 N PRO A 51 0.564 0.719 -0.748 1.00 0.00 N ATOM 353 CA PRO A 51 -0.141 1.410 0.367 1.00 0.00 C ATOM 354 C PRO A 51 0.738 2.484 1.010 1.00 0.00 C ATOM 355 O PRO A 51 1.964 2.420 0.928 1.00 0.00 O ATOM 356 CB PRO A 51 -0.465 0.291 1.362 1.00 0.00 C ATOM 357 CG PRO A 51 0.448 -0.842 1.022 1.00 0.00 C ATOM 358 CD PRO A 51 0.798 -0.703 -0.457 1.00 0.00 C ATOM 0 HA PRO A 51 -1.033 1.935 0.025 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.308 0.624 2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.509 -0.012 1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.348 -0.810 1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.036 -1.799 1.216 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.833 -0.984 -0.650 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.172 -1.345 -1.077 1.00 0.00 H new ATOM 366 N GLY A 52 0.110 3.451 1.675 1.00 0.00 N ATOM 367 CA GLY A 52 0.848 4.510 2.356 1.00 0.00 C ATOM 368 C GLY A 52 1.860 5.199 1.442 1.00 0.00 C ATOM 369 O GLY A 52 1.520 5.688 0.364 1.00 0.00 O ATOM 0 H GLY A 52 -0.904 3.523 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.145 5.250 2.738 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.368 4.090 3.217 1.00 0.00 H new ATOM 373 N SER A 53 3.106 5.236 1.901 1.00 0.00 N ATOM 374 CA SER A 53 4.185 5.869 1.148 1.00 0.00 C ATOM 375 C SER A 53 5.239 4.843 0.754 1.00 0.00 C ATOM 376 O SER A 53 6.397 5.183 0.508 1.00 0.00 O ATOM 377 CB SER A 53 4.817 6.976 1.988 1.00 0.00 C ATOM 378 OG SER A 53 5.476 6.400 3.108 1.00 0.00 O ATOM 0 H SER A 53 3.395 4.834 2.793 1.00 0.00 H new ATOM 0 HA SER A 53 3.771 6.300 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.527 7.544 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.051 7.676 2.323 1.00 0.00 H new ATOM 0 HG SER A 53 5.884 7.109 3.648 1.00 0.00 H new ATOM 384 N ASP A 54 4.817 3.589 0.682 1.00 0.00 N ATOM 385 CA ASP A 54 5.702 2.503 0.300 1.00 0.00 C ATOM 386 C ASP A 54 5.908 2.518 -1.211 1.00 0.00 C ATOM 387 O ASP A 54 5.207 3.234 -1.927 1.00 0.00 O ATOM 388 CB ASP A 54 5.087 1.175 0.728 1.00 0.00 C ATOM 389 CG ASP A 54 4.899 1.152 2.241 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.630 1.854 2.919 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.022 0.438 2.697 1.00 0.00 O ATOM 0 H ASP A 54 3.860 3.299 0.885 1.00 0.00 H new ATOM 0 HA ASP A 54 6.667 2.627 0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.127 1.032 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.730 0.351 0.420 1.00 0.00 H new ATOM 396 N VAL A 55 6.857 1.729 -1.701 1.00 0.00 N ATOM 397 CA VAL A 55 7.108 1.678 -3.136 1.00 0.00 C ATOM 398 C VAL A 55 7.095 0.239 -3.643 1.00 0.00 C ATOM 399 O VAL A 55 7.503 -0.688 -2.941 1.00 0.00 O ATOM 400 CB VAL A 55 8.447 2.342 -3.464 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.324 3.854 -3.260 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.531 1.793 -2.535 1.00 0.00 C ATOM 0 H VAL A 55 7.456 1.126 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 55 6.310 2.223 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 55 8.714 2.131 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.276 4.331 -3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.550 4.248 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.058 4.061 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.485 2.266 -2.769 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.265 2.006 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.617 0.715 -2.673 1.00 0.00 H new ATOM 412 N ILE A 56 6.598 0.069 -4.864 1.00 0.00 N ATOM 413 CA ILE A 56 6.493 -1.249 -5.484 1.00 0.00 C ATOM 414 C ILE A 56 7.870 -1.851 -5.790 1.00 0.00 C ATOM 415 O ILE A 56 8.760 -1.170 -6.299 1.00 0.00 O ATOM 416 CB ILE A 56 5.681 -1.134 -6.783 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.259 -0.649 -6.464 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.612 -2.499 -7.471 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.476 -0.454 -7.766 1.00 0.00 C ATOM 0 H ILE A 56 6.259 0.833 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 56 5.992 -1.913 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 56 6.167 -0.419 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.751 -1.374 -5.828 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.300 0.288 -5.909 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.035 -2.414 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.621 -2.840 -7.705 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.131 -3.217 -6.807 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.468 -0.110 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.980 0.287 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.423 -1.401 -8.304 1.00 0.00 H new ATOM 431 N MET A 57 8.018 -3.147 -5.496 1.00 0.00 N ATOM 432 CA MET A 57 9.266 -3.863 -5.763 1.00 0.00 C ATOM 433 C MET A 57 8.948 -5.186 -6.464 1.00 0.00 C ATOM 434 O MET A 57 8.538 -6.162 -5.837 1.00 0.00 O ATOM 435 CB MET A 57 10.050 -4.093 -4.460 1.00 0.00 C ATOM 436 CG MET A 57 9.566 -5.357 -3.742 1.00 0.00 C ATOM 437 SD MET A 57 10.105 -5.307 -2.013 1.00 0.00 S ATOM 438 CE MET A 57 11.840 -4.887 -2.318 1.00 0.00 C ATOM 0 H MET A 57 7.288 -3.720 -5.073 1.00 0.00 H new ATOM 0 HA MET A 57 9.897 -3.262 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.113 -4.182 -4.682 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.932 -3.231 -3.804 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.479 -5.425 -3.794 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.965 -6.244 -4.234 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.442 -5.180 -1.458 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.192 -5.416 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.932 -3.812 -2.476 1.00 0.00 H new ATOM 448 N VAL A 58 9.119 -5.179 -7.781 1.00 0.00 N ATOM 449 CA VAL A 58 8.827 -6.358 -8.599 1.00 0.00 C ATOM 450 C VAL A 58 9.740 -7.527 -8.249 1.00 0.00 C ATOM 451 O VAL A 58 10.963 -7.414 -8.307 1.00 0.00 O ATOM 452 CB VAL A 58 8.988 -6.022 -10.085 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.548 -7.221 -10.930 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.119 -4.812 -10.432 1.00 0.00 C ATOM 0 H VAL A 58 9.457 -4.374 -8.307 1.00 0.00 H new ATOM 0 HA VAL A 58 7.798 -6.651 -8.392 1.00 0.00 H new ATOM 0 HB VAL A 58 10.033 -5.792 -10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.662 -6.982 -11.987 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.165 -8.085 -10.684 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.503 -7.450 -10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.234 -4.573 -11.489 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.074 -5.042 -10.223 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.429 -3.957 -9.831 1.00 0.00 H new ATOM 464 N GLU A 59 9.132 -8.657 -7.900 1.00 0.00 N ATOM 465 CA GLU A 59 9.896 -9.850 -7.558 1.00 0.00 C ATOM 466 C GLU A 59 9.898 -10.818 -8.730 1.00 0.00 C ATOM 467 O GLU A 59 10.949 -11.303 -9.148 1.00 0.00 O ATOM 468 CB GLU A 59 9.291 -10.542 -6.335 1.00 0.00 C ATOM 469 CG GLU A 59 9.551 -9.700 -5.088 1.00 0.00 C ATOM 470 CD GLU A 59 11.052 -9.541 -4.872 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.799 -10.313 -5.450 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.434 -8.648 -4.134 1.00 0.00 O ATOM 0 H GLU A 59 8.120 -8.771 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 59 10.918 -9.549 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.219 -10.680 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.726 -11.534 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.085 -8.721 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.098 -10.174 -4.217 1.00 0.00 H new ATOM 479 N ASN A 60 8.708 -11.115 -9.239 1.00 0.00 N ATOM 480 CA ASN A 60 8.582 -12.050 -10.343 1.00 0.00 C ATOM 481 C ASN A 60 7.388 -11.691 -11.216 1.00 0.00 C ATOM 482 O ASN A 60 6.352 -11.244 -10.725 1.00 0.00 O ATOM 483 CB ASN A 60 8.404 -13.456 -9.775 1.00 0.00 C ATOM 484 CG ASN A 60 9.529 -13.752 -8.789 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.706 -13.672 -9.144 1.00 0.00 O ATOM 486 ND2 ASN A 60 9.234 -14.075 -7.560 1.00 0.00 N ATOM 0 H ASN A 60 7.826 -10.725 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 60 9.480 -12.005 -10.959 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.438 -13.539 -9.277 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.411 -14.189 -10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.979 -14.262 -6.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.258 -14.140 -7.270 1.00 0.00 H new ATOM 493 N ALA A 61 7.550 -11.880 -12.519 1.00 0.00 N ATOM 494 CA ALA A 61 6.486 -11.557 -13.463 1.00 0.00 C ATOM 495 C ALA A 61 6.722 -12.232 -14.805 1.00 0.00 C ATOM 496 O ALA A 61 7.854 -12.564 -15.159 1.00 0.00 O ATOM 497 CB ALA A 61 6.427 -10.047 -13.671 1.00 0.00 C ATOM 0 H ALA A 61 8.399 -12.252 -12.944 1.00 0.00 H new ATOM 0 HA ALA A 61 5.544 -11.918 -13.049 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.631 -9.808 -14.377 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.227 -9.556 -12.719 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.380 -9.697 -14.067 1.00 0.00 H new ATOM 503 N ASN A 62 5.637 -12.443 -15.541 1.00 0.00 N ATOM 504 CA ASN A 62 5.730 -13.093 -16.839 1.00 0.00 C ATOM 505 C ASN A 62 4.601 -12.654 -17.772 1.00 0.00 C ATOM 506 O ASN A 62 3.475 -12.414 -17.331 1.00 0.00 O ATOM 507 CB ASN A 62 5.659 -14.607 -16.642 1.00 0.00 C ATOM 508 CG ASN A 62 5.865 -15.310 -17.975 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.000 -15.486 -18.422 1.00 0.00 O ATOM 510 ND2 ASN A 62 4.823 -15.716 -18.642 1.00 0.00 N ATOM 0 H ASN A 62 4.693 -12.176 -15.263 1.00 0.00 H new ATOM 0 HA ASN A 62 6.677 -12.807 -17.297 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.420 -14.926 -15.930 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.693 -14.883 -16.220 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.943 -16.183 -19.541 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.887 -15.567 -18.266 1.00 0.00 H new ATOM 517 N TYR A 63 4.900 -12.587 -19.071 1.00 0.00 N ATOM 518 CA TYR A 63 3.893 -12.223 -20.070 1.00 0.00 C ATOM 519 C TYR A 63 3.638 -13.428 -20.968 1.00 0.00 C ATOM 520 O TYR A 63 4.537 -13.878 -21.676 1.00 0.00 O ATOM 521 CB TYR A 63 4.379 -11.043 -20.924 1.00 0.00 C ATOM 522 CG TYR A 63 3.377 -10.755 -22.024 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.116 -10.233 -21.709 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.713 -11.007 -23.363 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.192 -9.963 -22.729 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.788 -10.737 -24.382 1.00 0.00 C ATOM 527 CZ TYR A 63 1.529 -10.216 -24.065 1.00 0.00 C ATOM 528 OH TYR A 63 0.618 -9.952 -25.068 1.00 0.00 O ATOM 0 H TYR A 63 5.826 -12.779 -19.454 1.00 0.00 H new ATOM 0 HA TYR A 63 2.975 -11.926 -19.562 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.510 -10.160 -20.299 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.352 -11.273 -21.358 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.855 -10.038 -20.679 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.685 -11.409 -23.609 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.220 -9.560 -22.484 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.048 -10.931 -25.412 1.00 0.00 H new ATOM 0 HH TYR A 63 1.011 -10.183 -25.936 1.00 0.00 H new ATOM 538 N GLY A 64 2.423 -13.967 -20.921 1.00 0.00 N ATOM 539 CA GLY A 64 2.115 -15.143 -21.728 1.00 0.00 C ATOM 540 C GLY A 64 0.836 -15.822 -21.248 1.00 0.00 C ATOM 541 O GLY A 64 -0.165 -15.162 -20.967 1.00 0.00 O ATOM 0 H GLY A 64 1.654 -13.619 -20.349 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.005 -14.852 -22.773 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.945 -15.848 -21.679 1.00 0.00 H new ATOM 545 N ARG A 65 0.883 -17.152 -21.175 1.00 0.00 N ATOM 546 CA ARG A 65 -0.276 -17.935 -20.747 1.00 0.00 C ATOM 547 C ARG A 65 0.116 -19.347 -20.324 1.00 0.00 C ATOM 548 O ARG A 65 0.699 -20.107 -21.097 1.00 0.00 O ATOM 549 CB ARG A 65 -1.301 -18.012 -21.877 1.00 0.00 C ATOM 550 CG ARG A 65 -2.232 -19.201 -21.639 1.00 0.00 C ATOM 551 CD ARG A 65 -3.511 -19.019 -22.452 1.00 0.00 C ATOM 552 NE ARG A 65 -4.203 -17.809 -22.023 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.499 -17.817 -21.730 1.00 0.00 C ATOM 554 NH1 ARG A 65 -6.192 -18.919 -21.829 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.084 -16.717 -21.342 1.00 0.00 N ATOM 0 H ARG A 65 1.707 -17.708 -21.405 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.709 -17.431 -19.883 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.878 -17.088 -21.923 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.794 -18.119 -22.836 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.735 -20.128 -21.926 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.471 -19.282 -20.579 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.272 -18.955 -23.513 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.160 -19.885 -22.324 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.680 -16.937 -21.946 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.739 -19.781 -22.133 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.187 -18.918 -21.602 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.547 -15.854 -21.264 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.079 -16.721 -21.117 1.00 0.00 H new ATOM 569 N THR A 66 -0.219 -19.686 -19.083 1.00 0.00 N ATOM 570 CA THR A 66 0.086 -21.006 -18.546 1.00 0.00 C ATOM 571 C THR A 66 -1.181 -21.689 -18.053 1.00 0.00 C ATOM 572 O THR A 66 -1.121 -22.701 -17.354 1.00 0.00 O ATOM 573 CB THR A 66 1.066 -20.879 -17.386 1.00 0.00 C ATOM 574 OG1 THR A 66 0.424 -20.221 -16.302 1.00 0.00 O ATOM 575 CG2 THR A 66 2.275 -20.066 -17.832 1.00 0.00 C ATOM 0 H THR A 66 -0.701 -19.066 -18.432 1.00 0.00 H new ATOM 0 HA THR A 66 0.529 -21.605 -19.341 1.00 0.00 H new ATOM 0 HB THR A 66 1.393 -21.870 -17.070 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.193 -19.306 -16.566 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.977 -19.974 -17.003 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.763 -20.568 -18.667 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.951 -19.073 -18.145 1.00 0.00 H new ATOM 583 N ASP A 67 -2.324 -21.127 -18.413 1.00 0.00 N ATOM 584 CA ASP A 67 -3.597 -21.686 -17.995 1.00 0.00 C ATOM 585 C ASP A 67 -4.645 -21.465 -19.068 1.00 0.00 C ATOM 586 O ASP A 67 -4.334 -21.056 -20.186 1.00 0.00 O ATOM 587 CB ASP A 67 -4.066 -21.025 -16.699 1.00 0.00 C ATOM 588 CG ASP A 67 -5.103 -21.908 -16.013 1.00 0.00 C ATOM 589 OD1 ASP A 67 -5.441 -22.938 -16.574 1.00 0.00 O ATOM 590 OD2 ASP A 67 -5.542 -21.542 -14.934 1.00 0.00 O ATOM 0 H ASP A 67 -2.395 -20.289 -18.990 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.462 -22.755 -17.831 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.217 -20.863 -16.035 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.494 -20.046 -16.914 1.00 0.00 H new ATOM 595 N ASP A 68 -5.890 -21.721 -18.709 1.00 0.00 N ATOM 596 CA ASP A 68 -6.988 -21.531 -19.635 1.00 0.00 C ATOM 597 C ASP A 68 -8.231 -21.091 -18.874 1.00 0.00 C ATOM 598 O ASP A 68 -9.311 -20.970 -19.442 1.00 0.00 O ATOM 599 CB ASP A 68 -7.258 -22.822 -20.413 1.00 0.00 C ATOM 600 CG ASP A 68 -7.858 -23.880 -19.495 1.00 0.00 C ATOM 601 OD1 ASP A 68 -8.137 -23.558 -18.355 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.026 -25.000 -19.948 1.00 0.00 O ATOM 0 H ASP A 68 -6.164 -22.060 -17.787 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.721 -20.753 -20.351 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.939 -22.620 -21.240 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.330 -23.193 -20.848 1.00 0.00 H new ATOM 607 N LYS A 69 -8.062 -20.876 -17.571 1.00 0.00 N ATOM 608 CA LYS A 69 -9.171 -20.460 -16.721 1.00 0.00 C ATOM 609 C LYS A 69 -9.098 -18.972 -16.389 1.00 0.00 C ATOM 610 O LYS A 69 -9.950 -18.456 -15.665 1.00 0.00 O ATOM 611 CB LYS A 69 -9.156 -21.257 -15.418 1.00 0.00 C ATOM 612 CG LYS A 69 -9.236 -22.742 -15.744 1.00 0.00 C ATOM 613 CD LYS A 69 -9.381 -23.545 -14.454 1.00 0.00 C ATOM 614 CE LYS A 69 -9.214 -25.031 -14.764 1.00 0.00 C ATOM 615 NZ LYS A 69 -10.003 -25.834 -13.791 1.00 0.00 N ATOM 0 H LYS A 69 -7.172 -20.983 -17.084 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.093 -20.649 -17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.247 -21.043 -14.857 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.996 -20.964 -14.788 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.084 -22.935 -16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.340 -23.055 -16.280 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.633 -23.227 -13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.358 -23.363 -14.006 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.548 -25.241 -15.780 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.161 -25.308 -14.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.889 -26.846 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.664 -25.642 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.008 -25.577 -13.863 1.00 0.00 H new ATOM 629 N ILE A 70 -8.085 -18.277 -16.901 1.00 0.00 N ATOM 630 CA ILE A 70 -7.948 -16.852 -16.610 1.00 0.00 C ATOM 631 C ILE A 70 -8.239 -16.017 -17.843 1.00 0.00 C ATOM 632 O ILE A 70 -7.829 -16.358 -18.953 1.00 0.00 O ATOM 633 CB ILE A 70 -6.534 -16.535 -16.130 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.117 -17.539 -15.061 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.518 -15.128 -15.529 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.167 -17.576 -13.955 1.00 0.00 C ATOM 0 H ILE A 70 -7.362 -18.666 -17.506 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.667 -16.608 -15.828 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.842 -16.593 -16.970 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.004 -18.529 -15.502 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.148 -17.262 -14.647 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.512 -14.892 -15.183 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.820 -14.405 -16.287 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.211 -15.083 -14.689 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.867 -18.294 -13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -7.258 -16.587 -13.506 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.128 -17.873 -14.375 1.00 0.00 H new ATOM 648 N CYS A 71 -8.958 -14.924 -17.642 1.00 0.00 N ATOM 649 CA CYS A 71 -9.308 -14.050 -18.749 1.00 0.00 C ATOM 650 C CYS A 71 -9.980 -14.868 -19.844 1.00 0.00 C ATOM 651 O CYS A 71 -9.391 -15.132 -20.893 1.00 0.00 O ATOM 652 CB CYS A 71 -8.056 -13.374 -19.303 1.00 0.00 C ATOM 653 SG CYS A 71 -7.468 -12.126 -18.131 1.00 0.00 S ATOM 0 H CYS A 71 -9.307 -14.623 -16.732 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.994 -13.280 -18.395 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.278 -14.117 -19.479 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.277 -12.909 -20.264 1.00 0.00 H new ATOM 658 N ASP A 72 -11.211 -15.279 -19.573 1.00 0.00 N ATOM 659 CA ASP A 72 -11.964 -16.089 -20.520 1.00 0.00 C ATOM 660 C ASP A 72 -12.101 -15.390 -21.869 1.00 0.00 C ATOM 661 O ASP A 72 -12.674 -14.306 -21.976 1.00 0.00 O ATOM 662 CB ASP A 72 -13.354 -16.403 -19.962 1.00 0.00 C ATOM 663 CG ASP A 72 -14.045 -17.434 -20.849 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.445 -17.837 -21.833 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.162 -17.808 -20.533 1.00 0.00 O ATOM 0 H ASP A 72 -11.708 -15.066 -18.708 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.413 -17.017 -20.670 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -13.270 -16.783 -18.944 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.951 -15.492 -19.914 1.00 0.00 H new ATOM 670 N ALA A 73 -11.586 -16.052 -22.894 1.00 0.00 N ATOM 671 CA ALA A 73 -11.647 -15.559 -24.262 1.00 0.00 C ATOM 672 C ALA A 73 -11.997 -16.732 -25.167 1.00 0.00 C ATOM 673 O ALA A 73 -12.481 -17.757 -24.686 1.00 0.00 O ATOM 674 CB ALA A 73 -10.303 -14.958 -24.682 1.00 0.00 C ATOM 0 H ALA A 73 -11.112 -16.950 -22.800 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.401 -14.776 -24.340 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.371 -14.596 -25.708 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.052 -14.129 -24.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.527 -15.721 -24.617 1.00 0.00 H new ATOM 680 N ASP A 74 -11.748 -16.610 -26.463 1.00 0.00 N ATOM 681 CA ASP A 74 -12.053 -17.715 -27.355 1.00 0.00 C ATOM 682 C ASP A 74 -11.298 -18.961 -26.890 1.00 0.00 C ATOM 683 O ASP A 74 -10.112 -18.897 -26.554 1.00 0.00 O ATOM 684 CB ASP A 74 -11.671 -17.362 -28.793 1.00 0.00 C ATOM 685 CG ASP A 74 -10.445 -16.457 -28.803 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.916 -16.197 -27.735 1.00 0.00 O ATOM 687 OD2 ASP A 74 -10.057 -16.031 -29.878 1.00 0.00 O ATOM 0 H ASP A 74 -11.348 -15.784 -26.908 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.124 -17.914 -27.330 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.465 -18.272 -29.356 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.505 -16.863 -29.287 1.00 0.00 H new ATOM 692 N PRO A 75 -11.961 -20.086 -26.826 1.00 0.00 N ATOM 693 CA PRO A 75 -11.326 -21.335 -26.347 1.00 0.00 C ATOM 694 C PRO A 75 -10.074 -21.671 -27.143 1.00 0.00 C ATOM 695 O PRO A 75 -9.102 -22.186 -26.592 1.00 0.00 O ATOM 696 CB PRO A 75 -12.396 -22.421 -26.510 1.00 0.00 C ATOM 697 CG PRO A 75 -13.552 -21.801 -27.227 1.00 0.00 C ATOM 698 CD PRO A 75 -13.364 -20.284 -27.207 1.00 0.00 C ATOM 0 HA PRO A 75 -10.996 -21.242 -25.312 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.003 -23.267 -27.074 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.707 -22.803 -25.538 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.603 -22.165 -28.253 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.490 -22.075 -26.745 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.575 -19.846 -28.183 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -14.038 -19.811 -26.493 1.00 0.00 H new ATOM 706 N PHE A 76 -10.098 -21.350 -28.433 1.00 0.00 N ATOM 707 CA PHE A 76 -8.959 -21.618 -29.306 1.00 0.00 C ATOM 708 C PHE A 76 -7.717 -20.867 -28.845 1.00 0.00 C ATOM 709 O PHE A 76 -6.608 -21.397 -28.901 1.00 0.00 O ATOM 710 CB PHE A 76 -9.288 -21.193 -30.738 1.00 0.00 C ATOM 711 CG PHE A 76 -10.266 -22.162 -31.358 1.00 0.00 C ATOM 712 CD1 PHE A 76 -11.643 -21.982 -31.182 1.00 0.00 C ATOM 713 CD2 PHE A 76 -9.793 -23.233 -32.123 1.00 0.00 C ATOM 714 CE1 PHE A 76 -12.547 -22.876 -31.770 1.00 0.00 C ATOM 715 CE2 PHE A 76 -10.695 -24.128 -32.710 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.072 -23.948 -32.534 1.00 0.00 C ATOM 0 H PHE A 76 -10.891 -20.905 -28.896 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.757 -22.688 -29.266 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.710 -20.188 -30.739 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.375 -21.156 -31.333 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.008 -21.154 -30.593 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.731 -23.370 -32.261 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -13.609 -22.738 -31.634 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.329 -24.957 -33.298 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.769 -24.637 -32.988 1.00 0.00 H new ATOM 726 N GLN A 77 -7.900 -19.633 -28.396 1.00 0.00 N ATOM 727 CA GLN A 77 -6.769 -18.841 -27.941 1.00 0.00 C ATOM 728 C GLN A 77 -6.446 -19.178 -26.489 1.00 0.00 C ATOM 729 O GLN A 77 -5.407 -18.777 -25.966 1.00 0.00 O ATOM 730 CB GLN A 77 -7.083 -17.352 -28.084 1.00 0.00 C ATOM 731 CG GLN A 77 -7.442 -17.041 -29.538 1.00 0.00 C ATOM 732 CD GLN A 77 -7.518 -15.532 -29.742 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.673 -14.751 -28.708 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.448 -15.052 -30.873 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.805 -19.166 -28.338 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.900 -19.076 -28.555 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.910 -17.080 -27.428 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.223 -16.757 -27.776 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.695 -17.470 -30.206 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.398 -17.500 -29.792 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.327 -15.664 -31.680 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.511 -14.042 -31.003 1.00 0.00 H new ATOM 743 N MET A 78 -7.339 -19.931 -25.851 1.00 0.00 N ATOM 744 CA MET A 78 -7.136 -20.339 -24.462 1.00 0.00 C ATOM 745 C MET A 78 -6.686 -21.800 -24.379 1.00 0.00 C ATOM 746 O MET A 78 -6.456 -22.321 -23.287 1.00 0.00 O ATOM 747 CB MET A 78 -8.432 -20.188 -23.669 1.00 0.00 C ATOM 748 CG MET A 78 -8.763 -18.711 -23.483 1.00 0.00 C ATOM 749 SD MET A 78 -10.234 -18.557 -22.435 1.00 0.00 S ATOM 750 CE MET A 78 -9.446 -18.772 -20.817 1.00 0.00 C ATOM 0 H MET A 78 -8.205 -20.270 -26.270 1.00 0.00 H new ATOM 0 HA MET A 78 -6.362 -19.696 -24.042 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.247 -20.689 -24.191 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.331 -20.671 -22.697 1.00 0.00 H new ATOM 0 HG2 MET A 78 -7.920 -18.192 -23.026 1.00 0.00 H new ATOM 0 HG3 MET A 78 -8.940 -18.241 -24.450 1.00 0.00 H new ATOM 0 HE1 MET A 78 -10.209 -18.974 -20.065 1.00 0.00 H new ATOM 0 HE2 MET A 78 -8.748 -19.608 -20.860 1.00 0.00 H new ATOM 0 HE3 MET A 78 -8.907 -17.863 -20.551 1.00 0.00 H new ATOM 760 N GLU A 79 -6.590 -22.466 -25.528 1.00 0.00 N ATOM 761 CA GLU A 79 -6.198 -23.882 -25.542 1.00 0.00 C ATOM 762 C GLU A 79 -4.781 -24.099 -25.022 1.00 0.00 C ATOM 763 O GLU A 79 -4.546 -25.021 -24.240 1.00 0.00 O ATOM 764 CB GLU A 79 -6.276 -24.465 -26.961 1.00 0.00 C ATOM 765 CG GLU A 79 -7.722 -24.794 -27.331 1.00 0.00 C ATOM 766 CD GLU A 79 -8.315 -25.784 -26.333 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.556 -26.550 -25.764 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.523 -25.766 -26.159 1.00 0.00 O ATOM 0 H GLU A 79 -6.773 -22.062 -26.447 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.902 -24.390 -24.883 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.866 -23.752 -27.676 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.665 -25.366 -27.024 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.317 -23.881 -27.344 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.760 -25.214 -28.336 1.00 0.00 H new ATOM 775 N ASN A 80 -3.828 -23.291 -25.467 1.00 0.00 N ATOM 776 CA ASN A 80 -2.445 -23.470 -25.037 1.00 0.00 C ATOM 777 C ASN A 80 -2.198 -22.864 -23.659 1.00 0.00 C ATOM 778 O ASN A 80 -2.259 -21.647 -23.484 1.00 0.00 O ATOM 779 CB ASN A 80 -1.503 -22.816 -26.050 1.00 0.00 C ATOM 780 CG ASN A 80 -0.067 -23.271 -25.804 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.205 -24.470 -25.743 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.874 -22.376 -25.660 1.00 0.00 N ATOM 0 H ASN A 80 -3.981 -22.518 -26.114 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.253 -24.541 -24.977 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.807 -23.079 -27.063 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.567 -21.731 -25.970 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.837 -22.670 -25.497 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.646 -21.383 -25.711 1.00 0.00 H new ATOM 789 N VAL A 81 -1.894 -23.725 -22.692 1.00 0.00 N ATOM 790 CA VAL A 81 -1.611 -23.269 -21.338 1.00 0.00 C ATOM 791 C VAL A 81 -0.110 -23.332 -21.066 1.00 0.00 C ATOM 792 O VAL A 81 0.310 -23.628 -19.951 1.00 0.00 O ATOM 793 CB VAL A 81 -2.343 -24.130 -20.304 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.846 -24.135 -20.593 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.811 -25.564 -20.362 1.00 0.00 C ATOM 0 H VAL A 81 -1.838 -24.735 -22.821 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.960 -22.240 -21.252 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.171 -23.714 -19.311 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.357 -24.750 -19.852 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.229 -23.116 -20.545 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.024 -24.543 -21.588 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.333 -26.176 -19.626 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.978 -25.974 -21.358 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.743 -25.565 -20.143 1.00 0.00 H new ATOM 805 N GLN A 82 0.690 -23.069 -22.099 1.00 0.00 N ATOM 806 CA GLN A 82 2.146 -23.106 -21.953 1.00 0.00 C ATOM 807 C GLN A 82 2.814 -22.005 -22.778 1.00 0.00 C ATOM 808 O GLN A 82 3.262 -22.244 -23.899 1.00 0.00 O ATOM 809 CB GLN A 82 2.689 -24.464 -22.394 1.00 0.00 C ATOM 810 CG GLN A 82 2.047 -25.562 -21.549 1.00 0.00 C ATOM 811 CD GLN A 82 2.499 -25.448 -20.097 1.00 0.00 C ATOM 812 OE1 GLN A 82 1.607 -25.295 -19.157 1.00 0.00 O flip ATOM 813 NE2 GLN A 82 3.695 -25.493 -19.811 1.00 0.00 N flip ATOM 0 H GLN A 82 0.361 -22.831 -23.035 1.00 0.00 H new ATOM 0 HA GLN A 82 2.376 -22.943 -20.900 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.474 -24.629 -23.450 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.773 -24.489 -22.281 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.961 -25.485 -21.606 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.319 -26.540 -21.945 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.391 -25.613 -20.547 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.990 -25.411 -18.838 1.00 0.00 H new ATOM 822 N CYS A 83 2.889 -20.806 -22.210 1.00 0.00 N ATOM 823 CA CYS A 83 3.516 -19.671 -22.887 1.00 0.00 C ATOM 824 C CYS A 83 4.287 -18.842 -21.859 1.00 0.00 C ATOM 825 O CYS A 83 3.726 -18.449 -20.836 1.00 0.00 O ATOM 826 CB CYS A 83 2.434 -18.824 -23.565 1.00 0.00 C ATOM 827 SG CYS A 83 3.162 -17.324 -24.267 1.00 0.00 S ATOM 0 H CYS A 83 2.524 -20.593 -21.282 1.00 0.00 H new ATOM 0 HA CYS A 83 4.211 -20.022 -23.650 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.948 -19.403 -24.350 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.663 -18.558 -22.841 1.00 0.00 H new ATOM 832 N TYR A 84 5.577 -18.593 -22.107 1.00 0.00 N ATOM 833 CA TYR A 84 6.381 -17.833 -21.150 1.00 0.00 C ATOM 834 C TYR A 84 7.267 -16.786 -21.830 1.00 0.00 C ATOM 835 O TYR A 84 7.673 -16.945 -22.982 1.00 0.00 O ATOM 836 CB TYR A 84 7.282 -18.791 -20.366 1.00 0.00 C ATOM 837 CG TYR A 84 6.443 -19.863 -19.717 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.977 -20.940 -20.478 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.131 -19.779 -18.355 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.197 -21.935 -19.877 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.350 -20.771 -17.755 1.00 0.00 C ATOM 842 CZ TYR A 84 4.882 -21.851 -18.516 1.00 0.00 C ATOM 843 OH TYR A 84 4.105 -22.827 -17.927 1.00 0.00 O ATOM 0 H TYR A 84 6.076 -18.899 -22.942 1.00 0.00 H new ATOM 0 HA TYR A 84 5.686 -17.314 -20.490 1.00 0.00 H new ATOM 0 HB2 TYR A 84 8.015 -19.244 -21.033 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.839 -18.242 -19.607 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.219 -21.004 -21.529 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.494 -18.948 -17.768 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.838 -22.768 -20.464 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.107 -20.705 -16.705 1.00 0.00 H new ATOM 0 HH TYR A 84 3.982 -22.618 -16.978 1.00 0.00 H new ATOM 853 N LEU A 85 7.593 -15.739 -21.074 1.00 0.00 N ATOM 854 CA LEU A 85 8.472 -14.674 -21.556 1.00 0.00 C ATOM 855 C LEU A 85 9.295 -14.136 -20.388 1.00 0.00 C ATOM 856 O LEU A 85 8.877 -13.210 -19.695 1.00 0.00 O ATOM 857 CB LEU A 85 7.675 -13.529 -22.181 1.00 0.00 C ATOM 858 CG LEU A 85 8.656 -12.523 -22.795 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.293 -13.127 -24.049 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.916 -11.237 -23.167 1.00 0.00 C ATOM 0 H LEU A 85 7.259 -15.605 -20.119 1.00 0.00 H new ATOM 0 HA LEU A 85 9.124 -15.091 -22.323 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.999 -13.912 -22.946 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.058 -13.042 -21.426 1.00 0.00 H new ATOM 0 HG LEU A 85 9.434 -12.292 -22.067 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.990 -12.411 -24.484 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.828 -14.038 -23.782 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.515 -13.363 -24.775 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.618 -10.526 -23.603 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.133 -11.464 -23.891 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.468 -10.803 -22.273 1.00 0.00 H new ATOM 872 N PRO A 86 10.437 -14.721 -20.147 1.00 0.00 N ATOM 873 CA PRO A 86 11.329 -14.324 -19.016 1.00 0.00 C ATOM 874 C PRO A 86 11.609 -12.823 -18.964 1.00 0.00 C ATOM 875 O PRO A 86 11.499 -12.204 -17.905 1.00 0.00 O ATOM 876 CB PRO A 86 12.622 -15.104 -19.277 1.00 0.00 C ATOM 877 CG PRO A 86 12.238 -16.255 -20.145 1.00 0.00 C ATOM 878 CD PRO A 86 11.003 -15.824 -20.933 1.00 0.00 C ATOM 0 HA PRO A 86 10.866 -14.548 -18.055 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.365 -14.475 -19.768 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.065 -15.450 -18.343 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.053 -16.519 -20.819 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.023 -17.138 -19.543 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.267 -15.500 -21.940 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.292 -16.644 -21.038 1.00 0.00 H new ATOM 886 N ASP A 87 12.008 -12.245 -20.091 1.00 0.00 N ATOM 887 CA ASP A 87 12.345 -10.825 -20.137 1.00 0.00 C ATOM 888 C ASP A 87 11.180 -9.938 -19.700 1.00 0.00 C ATOM 889 O ASP A 87 11.384 -8.794 -19.299 1.00 0.00 O ATOM 890 CB ASP A 87 12.776 -10.446 -21.554 1.00 0.00 C ATOM 891 CG ASP A 87 14.107 -11.111 -21.890 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.602 -11.852 -21.056 1.00 0.00 O ATOM 893 OD2 ASP A 87 14.616 -10.863 -22.970 1.00 0.00 O ATOM 0 H ASP A 87 12.106 -12.733 -20.981 1.00 0.00 H new ATOM 0 HA ASP A 87 13.163 -10.659 -19.436 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.014 -10.756 -22.270 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.870 -9.363 -21.637 1.00 0.00 H new ATOM 898 N ALA A 88 9.965 -10.449 -19.776 1.00 0.00 N ATOM 899 CA ALA A 88 8.813 -9.656 -19.371 1.00 0.00 C ATOM 900 C ALA A 88 9.019 -9.118 -17.955 1.00 0.00 C ATOM 901 O ALA A 88 8.542 -8.033 -17.615 1.00 0.00 O ATOM 902 CB ALA A 88 7.555 -10.521 -19.408 1.00 0.00 C ATOM 0 H ALA A 88 9.749 -11.389 -20.107 1.00 0.00 H new ATOM 0 HA ALA A 88 8.700 -8.818 -20.059 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.694 -9.925 -19.104 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.399 -10.894 -20.420 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.672 -11.363 -18.726 1.00 0.00 H new ATOM 908 N PHE A 89 9.739 -9.887 -17.144 1.00 0.00 N ATOM 909 CA PHE A 89 10.029 -9.509 -15.765 1.00 0.00 C ATOM 910 C PHE A 89 10.929 -8.280 -15.667 1.00 0.00 C ATOM 911 O PHE A 89 10.676 -7.378 -14.869 1.00 0.00 O ATOM 912 CB PHE A 89 10.711 -10.677 -15.060 1.00 0.00 C ATOM 913 CG PHE A 89 11.302 -10.195 -13.762 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.470 -9.901 -12.678 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.686 -10.034 -13.648 1.00 0.00 C ATOM 916 CE1 PHE A 89 11.025 -9.446 -11.477 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.241 -9.578 -12.450 1.00 0.00 C ATOM 918 CZ PHE A 89 12.411 -9.284 -11.362 1.00 0.00 C ATOM 0 H PHE A 89 10.136 -10.785 -17.422 1.00 0.00 H new ATOM 0 HA PHE A 89 9.080 -9.260 -15.291 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.992 -11.474 -14.872 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.491 -11.095 -15.696 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.401 -10.025 -12.767 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.327 -10.262 -14.487 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.384 -9.220 -10.638 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.310 -9.452 -12.363 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.839 -8.933 -10.435 1.00 0.00 H new ATOM 928 N LYS A 90 11.992 -8.263 -16.462 1.00 0.00 N ATOM 929 CA LYS A 90 12.928 -7.150 -16.422 1.00 0.00 C ATOM 930 C LYS A 90 12.265 -5.871 -16.916 1.00 0.00 C ATOM 931 O LYS A 90 12.483 -4.800 -16.354 1.00 0.00 O ATOM 932 CB LYS A 90 14.196 -7.474 -17.232 1.00 0.00 C ATOM 933 CG LYS A 90 14.000 -7.162 -18.719 1.00 0.00 C ATOM 934 CD LYS A 90 15.340 -7.298 -19.449 1.00 0.00 C ATOM 935 CE LYS A 90 15.770 -8.766 -19.490 1.00 0.00 C ATOM 936 NZ LYS A 90 16.575 -9.012 -20.720 1.00 0.00 N ATOM 0 H LYS A 90 12.224 -8.996 -17.132 1.00 0.00 H new ATOM 0 HA LYS A 90 13.229 -6.990 -15.387 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.035 -6.897 -16.844 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.450 -8.527 -17.109 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.267 -7.843 -19.151 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.608 -6.152 -18.841 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.252 -6.908 -20.463 1.00 0.00 H new ATOM 0 HD3 LYS A 90 16.100 -6.702 -18.944 1.00 0.00 H new ATOM 0 HE2 LYS A 90 16.356 -9.010 -18.604 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.893 -9.414 -19.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.868 -10.009 -20.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.001 -8.795 -21.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 17.418 -8.404 -20.710 1.00 0.00 H new ATOM 950 N ILE A 91 11.449 -5.984 -17.958 1.00 0.00 N ATOM 951 CA ILE A 91 10.764 -4.818 -18.498 1.00 0.00 C ATOM 952 C ILE A 91 9.871 -4.171 -17.430 1.00 0.00 C ATOM 953 O ILE A 91 9.930 -2.960 -17.206 1.00 0.00 O ATOM 954 CB ILE A 91 9.914 -5.223 -19.710 1.00 0.00 C ATOM 955 CG1 ILE A 91 10.774 -5.963 -20.734 1.00 0.00 C ATOM 956 CG2 ILE A 91 9.355 -3.969 -20.375 1.00 0.00 C ATOM 957 CD1 ILE A 91 9.879 -6.451 -21.875 1.00 0.00 C ATOM 0 H ILE A 91 11.248 -6.860 -18.440 1.00 0.00 H new ATOM 0 HA ILE A 91 11.515 -4.092 -18.810 1.00 0.00 H new ATOM 0 HB ILE A 91 9.106 -5.871 -19.369 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.551 -5.303 -21.120 1.00 0.00 H new ATOM 0 HG13 ILE A 91 11.278 -6.807 -20.263 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.751 -4.253 -21.237 1.00 0.00 H new ATOM 0 HG22 ILE A 91 8.737 -3.424 -19.662 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.178 -3.333 -20.702 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.484 -6.980 -22.611 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.119 -7.124 -21.479 1.00 0.00 H new ATOM 0 HD13 ILE A 91 9.396 -5.597 -22.349 1.00 0.00 H new ATOM 969 N MET A 92 9.044 -4.979 -16.763 1.00 0.00 N ATOM 970 CA MET A 92 8.154 -4.452 -15.730 1.00 0.00 C ATOM 971 C MET A 92 8.940 -4.016 -14.502 1.00 0.00 C ATOM 972 O MET A 92 8.608 -3.014 -13.868 1.00 0.00 O ATOM 973 CB MET A 92 7.131 -5.503 -15.297 1.00 0.00 C ATOM 974 CG MET A 92 6.207 -5.860 -16.461 1.00 0.00 C ATOM 975 SD MET A 92 4.732 -6.705 -15.828 1.00 0.00 S ATOM 976 CE MET A 92 3.807 -5.226 -15.329 1.00 0.00 C ATOM 0 H MET A 92 8.973 -5.985 -16.917 1.00 0.00 H new ATOM 0 HA MET A 92 7.640 -3.594 -16.162 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.646 -6.397 -14.946 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.543 -5.124 -14.461 1.00 0.00 H new ATOM 0 HG2 MET A 92 5.919 -4.957 -17.000 1.00 0.00 H new ATOM 0 HG3 MET A 92 6.730 -6.501 -17.170 1.00 0.00 H new ATOM 0 HE1 MET A 92 2.802 -5.513 -15.021 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.317 -4.741 -14.497 1.00 0.00 H new ATOM 0 HE3 MET A 92 3.746 -4.535 -16.169 1.00 0.00 H new ATOM 986 N SER A 93 9.973 -4.775 -14.161 1.00 0.00 N ATOM 987 CA SER A 93 10.781 -4.453 -12.998 1.00 0.00 C ATOM 988 C SER A 93 11.319 -3.033 -13.122 1.00 0.00 C ATOM 989 O SER A 93 11.297 -2.261 -12.166 1.00 0.00 O ATOM 990 CB SER A 93 11.941 -5.444 -12.896 1.00 0.00 C ATOM 991 OG SER A 93 11.424 -6.766 -12.813 1.00 0.00 O ATOM 0 H SER A 93 10.267 -5.609 -14.669 1.00 0.00 H new ATOM 0 HA SER A 93 10.169 -4.522 -12.099 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.592 -5.350 -13.765 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.547 -5.223 -12.018 1.00 0.00 H new ATOM 0 HG SER A 93 11.424 -7.174 -13.704 1.00 0.00 H new ATOM 997 N GLN A 94 11.776 -2.694 -14.318 1.00 0.00 N ATOM 998 CA GLN A 94 12.294 -1.361 -14.583 1.00 0.00 C ATOM 999 C GLN A 94 11.186 -0.311 -14.483 1.00 0.00 C ATOM 1000 O GLN A 94 11.405 0.810 -14.025 1.00 0.00 O ATOM 1001 CB GLN A 94 12.871 -1.321 -15.998 1.00 0.00 C ATOM 1002 CG GLN A 94 14.103 -2.222 -16.084 1.00 0.00 C ATOM 1003 CD GLN A 94 14.614 -2.259 -17.520 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.925 -1.813 -18.439 1.00 0.00 O ATOM 1005 NE2 GLN A 94 15.787 -2.771 -17.770 1.00 0.00 N ATOM 0 H GLN A 94 11.799 -3.324 -15.120 1.00 0.00 H new ATOM 0 HA GLN A 94 13.062 -1.138 -13.842 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.119 -1.649 -16.716 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.139 -0.298 -16.262 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.884 -1.851 -15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 94 13.853 -3.229 -15.751 1.00 0.00 H new ATOM 0 HE21 GLN A 94 16.356 -3.140 -17.008 1.00 0.00 H new ATOM 0 HE22 GLN A 94 16.136 -2.803 -18.728 1.00 0.00 H new ATOM 1014 N ARG A 95 10.011 -0.691 -14.969 1.00 0.00 N ATOM 1015 CA ARG A 95 8.856 0.210 -15.002 1.00 0.00 C ATOM 1016 C ARG A 95 8.178 0.445 -13.642 1.00 0.00 C ATOM 1017 O ARG A 95 7.645 1.529 -13.409 1.00 0.00 O ATOM 1018 CB ARG A 95 7.818 -0.324 -15.992 1.00 0.00 C ATOM 1019 CG ARG A 95 8.383 -0.246 -17.413 1.00 0.00 C ATOM 1020 CD ARG A 95 7.296 -0.600 -18.429 1.00 0.00 C ATOM 1021 NE ARG A 95 7.450 -1.968 -18.914 1.00 0.00 N ATOM 1022 CZ ARG A 95 6.712 -2.957 -18.416 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.936 -2.728 -17.398 1.00 0.00 N ATOM 1024 NH2 ARG A 95 6.785 -4.158 -18.929 1.00 0.00 N ATOM 0 H ARG A 95 9.828 -1.620 -15.348 1.00 0.00 H new ATOM 0 HA ARG A 95 9.251 1.177 -15.312 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.562 -1.355 -15.747 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.899 0.258 -15.922 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.761 0.757 -17.608 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.225 -0.930 -17.516 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.314 -0.483 -17.970 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.340 0.093 -19.269 1.00 0.00 H new ATOM 0 HE ARG A 95 8.133 -2.169 -19.645 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.896 -1.795 -16.987 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.367 -3.481 -17.011 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.410 -4.340 -19.714 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.217 -4.913 -18.544 1.00 0.00 H new ATOM 1038 N CYS A 96 8.144 -0.558 -12.765 1.00 0.00 N ATOM 1039 CA CYS A 96 7.447 -0.380 -11.481 1.00 0.00 C ATOM 1040 C CYS A 96 8.380 -0.318 -10.271 1.00 0.00 C ATOM 1041 O CYS A 96 7.970 0.135 -9.202 1.00 0.00 O ATOM 1042 CB CYS A 96 6.454 -1.520 -11.264 1.00 0.00 C ATOM 1043 SG CYS A 96 5.188 -1.493 -12.556 1.00 0.00 S ATOM 0 H CYS A 96 8.573 -1.473 -12.906 1.00 0.00 H new ATOM 0 HA CYS A 96 6.942 0.583 -11.552 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.977 -2.476 -11.276 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.987 -1.425 -10.284 1.00 0.00 H new ATOM 1048 N ASN A 97 9.605 -0.795 -10.409 1.00 0.00 N ATOM 1049 CA ASN A 97 10.522 -0.800 -9.275 1.00 0.00 C ATOM 1050 C ASN A 97 10.679 0.585 -8.660 1.00 0.00 C ATOM 1051 O ASN A 97 10.857 1.579 -9.365 1.00 0.00 O ATOM 1052 CB ASN A 97 11.890 -1.323 -9.707 1.00 0.00 C ATOM 1053 CG ASN A 97 11.845 -2.838 -9.840 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.854 -3.465 -9.466 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.867 -3.468 -10.344 1.00 0.00 N ATOM 0 H ASN A 97 9.985 -1.177 -11.275 1.00 0.00 H new ATOM 0 HA ASN A 97 10.095 -1.457 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.177 -0.874 -10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.646 -1.035 -8.977 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.848 -4.484 -10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.687 -2.945 -10.653 1.00 0.00 H new ATOM 1062 N ASN A 98 10.637 0.625 -7.328 1.00 0.00 N ATOM 1063 CA ASN A 98 10.806 1.865 -6.580 1.00 0.00 C ATOM 1064 C ASN A 98 9.672 2.870 -6.811 1.00 0.00 C ATOM 1065 O ASN A 98 9.806 4.041 -6.455 1.00 0.00 O ATOM 1066 CB ASN A 98 12.162 2.490 -6.915 1.00 0.00 C ATOM 1067 CG ASN A 98 13.270 1.635 -6.298 1.00 0.00 C ATOM 1068 OD1 ASN A 98 12.997 0.581 -5.724 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.515 2.091 -6.409 1.00 0.00 N ATOM 0 H ASN A 98 10.486 -0.197 -6.743 1.00 0.00 H new ATOM 0 HA ASN A 98 10.770 1.609 -5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.292 2.552 -7.996 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.213 3.508 -6.529 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.695 2.970 -6.894 1.00 0.00 H new ATOM 1075 N ARG A 99 8.555 2.430 -7.387 1.00 0.00 N ATOM 1076 CA ARG A 99 7.435 3.343 -7.616 1.00 0.00 C ATOM 1077 C ARG A 99 6.226 2.971 -6.771 1.00 0.00 C ATOM 1078 O ARG A 99 5.953 1.796 -6.536 1.00 0.00 O ATOM 1079 CB ARG A 99 7.004 3.319 -9.079 1.00 0.00 C ATOM 1080 CG ARG A 99 8.050 4.009 -9.946 1.00 0.00 C ATOM 1081 CD ARG A 99 7.559 4.022 -11.390 1.00 0.00 C ATOM 1082 NE ARG A 99 6.306 4.761 -11.489 1.00 0.00 N ATOM 1083 CZ ARG A 99 5.471 4.551 -12.498 1.00 0.00 C ATOM 1084 NH1 ARG A 99 5.778 3.681 -13.418 1.00 0.00 N ATOM 1085 NH2 ARG A 99 4.347 5.210 -12.572 1.00 0.00 N ATOM 0 H ARG A 99 8.401 1.471 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 99 7.785 4.337 -7.338 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.869 2.289 -9.409 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.042 3.818 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.219 5.027 -9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.003 3.485 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.311 4.479 -12.033 1.00 0.00 H new ATOM 0 HD3 ARG A 99 7.416 3.001 -11.742 1.00 0.00 H new ATOM 0 HE ARG A 99 6.069 5.448 -10.773 1.00 0.00 H new ATOM 0 HH11 ARG A 99 6.656 3.166 -13.360 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.140 3.515 -14.196 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.107 5.891 -11.852 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.709 5.044 -13.350 1.00 0.00 H new ATOM 1099 N THR A 100 5.492 3.989 -6.340 1.00 0.00 N ATOM 1100 CA THR A 100 4.292 3.776 -5.546 1.00 0.00 C ATOM 1101 C THR A 100 3.214 3.156 -6.421 1.00 0.00 C ATOM 1102 O THR A 100 2.403 2.353 -5.962 1.00 0.00 O ATOM 1103 CB THR A 100 3.794 5.116 -4.997 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.823 5.729 -4.237 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.567 4.900 -4.111 1.00 0.00 C ATOM 0 H THR A 100 5.707 4.968 -6.527 1.00 0.00 H new ATOM 0 HA THR A 100 4.520 3.108 -4.716 1.00 0.00 H new ATOM 0 HB THR A 100 3.520 5.761 -5.832 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.504 6.587 -3.887 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.222 5.860 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.773 4.437 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.830 4.249 -3.277 1.00 0.00 H new ATOM 1113 N GLN A 101 3.221 3.538 -7.693 1.00 0.00 N ATOM 1114 CA GLN A 101 2.250 3.021 -8.643 1.00 0.00 C ATOM 1115 C GLN A 101 2.817 3.043 -10.058 1.00 0.00 C ATOM 1116 O GLN A 101 3.715 3.825 -10.370 1.00 0.00 O ATOM 1117 CB GLN A 101 0.975 3.863 -8.589 1.00 0.00 C ATOM 1118 CG GLN A 101 1.277 5.281 -9.072 1.00 0.00 C ATOM 1119 CD GLN A 101 0.716 5.480 -10.475 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.484 5.052 -10.755 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.390 6.042 -11.339 1.00 0.00 N flip ATOM 0 H GLN A 101 3.887 4.202 -8.087 1.00 0.00 H new ATOM 0 HA GLN A 101 2.019 1.990 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.203 3.412 -9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.587 3.890 -7.571 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.839 6.009 -8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.353 5.453 -9.073 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.328 6.376 -11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.010 6.174 -12.276 1.00 0.00 H new ATOM 1130 N CYS A 102 2.279 2.182 -10.914 1.00 0.00 N ATOM 1131 CA CYS A 102 2.732 2.122 -12.298 1.00 0.00 C ATOM 1132 C CYS A 102 1.647 1.566 -13.210 1.00 0.00 C ATOM 1133 O CYS A 102 0.982 0.584 -12.878 1.00 0.00 O ATOM 1134 CB CYS A 102 3.998 1.268 -12.413 1.00 0.00 C ATOM 1135 SG CYS A 102 3.693 -0.390 -11.761 1.00 0.00 S ATOM 0 H CYS A 102 1.537 1.523 -10.678 1.00 0.00 H new ATOM 0 HA CYS A 102 2.959 3.140 -12.616 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.310 1.205 -13.456 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.814 1.738 -11.864 1.00 0.00 H new ATOM 1140 N VAL A 103 1.482 2.195 -14.368 1.00 0.00 N ATOM 1141 CA VAL A 103 0.487 1.745 -15.333 1.00 0.00 C ATOM 1142 C VAL A 103 1.182 1.311 -16.621 1.00 0.00 C ATOM 1143 O VAL A 103 1.984 2.058 -17.180 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.511 2.865 -15.636 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.573 2.344 -16.607 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.190 3.316 -14.337 1.00 0.00 C ATOM 0 H VAL A 103 2.020 3.011 -14.660 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.056 0.900 -14.909 1.00 0.00 H new ATOM 0 HB VAL A 103 0.015 3.709 -16.082 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.287 3.138 -16.826 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.094 2.021 -17.531 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.096 1.501 -16.156 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.900 4.114 -14.556 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.717 2.473 -13.890 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.436 3.682 -13.640 1.00 0.00 H new ATOM 1156 N VAL A 104 0.880 0.096 -17.082 1.00 0.00 N ATOM 1157 CA VAL A 104 1.501 -0.418 -18.305 1.00 0.00 C ATOM 1158 C VAL A 104 0.511 -1.237 -19.130 1.00 0.00 C ATOM 1159 O VAL A 104 -0.340 -1.940 -18.587 1.00 0.00 O ATOM 1160 CB VAL A 104 2.711 -1.300 -17.970 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.401 -1.734 -19.268 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.713 -0.521 -17.109 1.00 0.00 C ATOM 0 H VAL A 104 0.221 -0.542 -16.636 1.00 0.00 H new ATOM 0 HA VAL A 104 1.823 0.445 -18.887 1.00 0.00 H new ATOM 0 HB VAL A 104 2.366 -2.175 -17.419 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.261 -2.361 -19.031 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.699 -2.298 -19.882 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.735 -0.852 -19.815 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.567 -1.158 -16.878 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.054 0.359 -17.654 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.231 -0.210 -16.182 1.00 0.00 H new ATOM 1172 N VAL A 105 0.654 -1.147 -20.447 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.207 -1.898 -21.355 1.00 0.00 C ATOM 1174 C VAL A 105 0.214 -3.365 -21.379 1.00 0.00 C ATOM 1175 O VAL A 105 1.317 -3.695 -21.813 1.00 0.00 O ATOM 1176 CB VAL A 105 -0.123 -1.313 -22.764 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -1.024 -2.117 -23.703 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.587 0.144 -22.734 1.00 0.00 C ATOM 0 H VAL A 105 1.353 -0.565 -20.909 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.236 -1.827 -21.002 1.00 0.00 H new ATOM 0 HB VAL A 105 0.906 -1.361 -23.120 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.965 -1.701 -24.709 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.696 -3.156 -23.721 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.054 -2.068 -23.350 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.529 0.565 -23.738 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.617 0.191 -22.380 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.053 0.716 -22.063 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.664 -4.240 -20.897 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.361 -5.665 -20.855 1.00 0.00 C ATOM 1190 C ALA A 106 -0.357 -6.272 -22.256 1.00 0.00 C ATOM 1191 O ALA A 106 -0.849 -7.382 -22.461 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.390 -6.384 -19.981 1.00 0.00 C ATOM 0 H ALA A 106 -1.583 -3.989 -20.533 1.00 0.00 H new ATOM 0 HA ALA A 106 0.635 -5.790 -20.430 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.161 -7.449 -19.951 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.357 -5.977 -18.970 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.387 -6.238 -20.398 1.00 0.00 H new ATOM 1198 N GLY A 107 0.206 -5.545 -23.217 1.00 0.00 N ATOM 1199 CA GLY A 107 0.269 -6.035 -24.591 1.00 0.00 C ATOM 1200 C GLY A 107 0.992 -5.043 -25.500 1.00 0.00 C ATOM 1201 O GLY A 107 2.148 -4.696 -25.259 1.00 0.00 O ATOM 0 H GLY A 107 0.621 -4.624 -23.073 1.00 0.00 H new ATOM 0 HA2 GLY A 107 0.784 -6.995 -24.614 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.740 -6.206 -24.965 1.00 0.00 H new ATOM 1205 N SER A 108 0.298 -4.596 -26.541 1.00 0.00 N ATOM 1206 CA SER A 108 0.864 -3.646 -27.498 1.00 0.00 C ATOM 1207 C SER A 108 2.382 -3.758 -27.579 1.00 0.00 C ATOM 1208 O SER A 108 2.963 -4.806 -27.293 1.00 0.00 O ATOM 1209 CB SER A 108 0.488 -2.216 -27.106 1.00 0.00 C ATOM 1210 OG SER A 108 0.120 -1.489 -28.271 1.00 0.00 O ATOM 0 H SER A 108 -0.661 -4.876 -26.746 1.00 0.00 H new ATOM 0 HA SER A 108 0.450 -3.888 -28.477 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.338 -2.227 -26.395 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.329 -1.730 -26.611 1.00 0.00 H new ATOM 0 HG SER A 108 -0.123 -0.573 -28.022 1.00 0.00 H new ATOM 1216 N ASP A 109 3.015 -2.668 -27.998 1.00 0.00 N ATOM 1217 CA ASP A 109 4.463 -2.633 -28.145 1.00 0.00 C ATOM 1218 C ASP A 109 5.160 -2.701 -26.788 1.00 0.00 C ATOM 1219 O ASP A 109 6.388 -2.655 -26.716 1.00 0.00 O ATOM 1220 CB ASP A 109 4.886 -1.356 -28.875 1.00 0.00 C ATOM 1221 CG ASP A 109 4.389 -1.386 -30.317 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.048 -2.460 -30.784 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.359 -0.334 -30.935 1.00 0.00 O ATOM 0 H ASP A 109 2.546 -1.796 -28.242 1.00 0.00 H new ATOM 0 HA ASP A 109 4.761 -3.504 -28.728 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.482 -0.484 -28.361 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.972 -1.261 -28.858 1.00 0.00 H new ATOM 1228 N ALA A 110 4.383 -2.803 -25.709 1.00 0.00 N ATOM 1229 CA ALA A 110 4.976 -2.867 -24.377 1.00 0.00 C ATOM 1230 C ALA A 110 5.385 -4.295 -24.043 1.00 0.00 C ATOM 1231 O ALA A 110 6.158 -4.524 -23.113 1.00 0.00 O ATOM 1232 CB ALA A 110 3.985 -2.370 -23.324 1.00 0.00 C ATOM 0 H ALA A 110 3.364 -2.842 -25.730 1.00 0.00 H new ATOM 0 HA ALA A 110 5.859 -2.228 -24.372 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.445 -2.425 -22.337 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.712 -1.337 -23.540 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.091 -2.993 -23.343 1.00 0.00 H new ATOM 1238 N PHE A 111 4.876 -5.253 -24.805 1.00 0.00 N ATOM 1239 CA PHE A 111 5.220 -6.648 -24.574 1.00 0.00 C ATOM 1240 C PHE A 111 5.267 -7.418 -25.901 1.00 0.00 C ATOM 1241 O PHE A 111 4.294 -7.417 -26.657 1.00 0.00 O ATOM 1242 CB PHE A 111 4.198 -7.299 -23.645 1.00 0.00 C ATOM 1243 CG PHE A 111 4.289 -6.680 -22.263 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.206 -7.180 -21.327 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.451 -5.611 -21.915 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.285 -6.612 -20.048 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.531 -5.046 -20.635 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.446 -5.547 -19.702 1.00 0.00 C ATOM 0 H PHE A 111 4.231 -5.093 -25.579 1.00 0.00 H new ATOM 0 HA PHE A 111 6.204 -6.682 -24.107 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.193 -7.168 -24.046 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.380 -8.372 -23.585 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.852 -8.004 -21.592 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.744 -5.223 -22.633 1.00 0.00 H new ATOM 0 HE1 PHE A 111 5.994 -6.996 -19.329 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.885 -4.222 -20.368 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.504 -5.112 -18.715 1.00 0.00 H new ATOM 1258 N PRO A 112 6.364 -8.074 -26.198 1.00 0.00 N ATOM 1259 CA PRO A 112 6.514 -8.859 -27.461 1.00 0.00 C ATOM 1260 C PRO A 112 5.356 -9.831 -27.690 1.00 0.00 C ATOM 1261 O PRO A 112 4.202 -9.525 -27.389 1.00 0.00 O ATOM 1262 CB PRO A 112 7.821 -9.636 -27.277 1.00 0.00 C ATOM 1263 CG PRO A 112 8.566 -8.965 -26.169 1.00 0.00 C ATOM 1264 CD PRO A 112 7.574 -8.133 -25.366 1.00 0.00 C ATOM 0 HA PRO A 112 6.519 -8.201 -28.330 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.620 -10.679 -27.032 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.407 -9.631 -28.196 1.00 0.00 H new ATOM 0 HG2 PRO A 112 9.046 -9.706 -25.530 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.356 -8.331 -26.571 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.366 -8.592 -24.399 1.00 0.00 H new ATOM 0 HD3 PRO A 112 7.965 -7.135 -25.168 1.00 0.00 H new ATOM 1272 N ASP A 113 5.685 -11.003 -28.228 1.00 0.00 N ATOM 1273 CA ASP A 113 4.682 -12.029 -28.508 1.00 0.00 C ATOM 1274 C ASP A 113 5.275 -13.424 -28.283 1.00 0.00 C ATOM 1275 O ASP A 113 5.809 -14.034 -29.209 1.00 0.00 O ATOM 1276 CB ASP A 113 4.211 -11.904 -29.959 1.00 0.00 C ATOM 1277 CG ASP A 113 2.864 -12.599 -30.139 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.739 -13.730 -29.701 1.00 0.00 O ATOM 1279 OD2 ASP A 113 1.979 -11.988 -30.715 1.00 0.00 O ATOM 0 H ASP A 113 6.638 -11.266 -28.479 1.00 0.00 H new ATOM 0 HA ASP A 113 3.836 -11.889 -27.835 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.125 -10.852 -30.231 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.949 -12.347 -30.628 1.00 0.00 H new ATOM 1284 N PRO A 114 5.208 -13.927 -27.072 1.00 0.00 N ATOM 1285 CA PRO A 114 5.770 -15.268 -26.726 1.00 0.00 C ATOM 1286 C PRO A 114 4.915 -16.425 -27.233 1.00 0.00 C ATOM 1287 O PRO A 114 5.323 -17.585 -27.164 1.00 0.00 O ATOM 1288 CB PRO A 114 5.799 -15.260 -25.200 1.00 0.00 C ATOM 1289 CG PRO A 114 4.723 -14.311 -24.785 1.00 0.00 C ATOM 1290 CD PRO A 114 4.590 -13.276 -25.903 1.00 0.00 C ATOM 0 HA PRO A 114 6.745 -15.421 -27.189 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.619 -16.257 -24.799 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.771 -14.938 -24.828 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.781 -14.838 -24.632 1.00 0.00 H new ATOM 0 HG3 PRO A 114 4.976 -13.829 -23.840 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.546 -13.025 -26.092 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.100 -12.347 -25.649 1.00 0.00 H new ATOM 1298 N CYS A 115 3.733 -16.106 -27.739 1.00 0.00 N ATOM 1299 CA CYS A 115 2.832 -17.135 -28.249 1.00 0.00 C ATOM 1300 C CYS A 115 1.725 -16.516 -29.096 1.00 0.00 C ATOM 1301 O CYS A 115 0.551 -16.502 -28.714 1.00 0.00 O ATOM 1302 CB CYS A 115 2.229 -17.922 -27.083 1.00 0.00 C ATOM 1303 SG CYS A 115 1.858 -16.792 -25.719 1.00 0.00 S ATOM 0 H CYS A 115 3.376 -15.153 -27.808 1.00 0.00 H new ATOM 0 HA CYS A 115 3.404 -17.814 -28.882 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.320 -18.431 -27.405 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.925 -18.692 -26.752 1.00 0.00 H new ATOM 1308 N PRO A 116 2.085 -16.017 -30.245 1.00 0.00 N ATOM 1309 CA PRO A 116 1.114 -15.393 -31.181 1.00 0.00 C ATOM 1310 C PRO A 116 -0.044 -16.340 -31.481 1.00 0.00 C ATOM 1311 O PRO A 116 0.139 -17.556 -31.532 1.00 0.00 O ATOM 1312 CB PRO A 116 1.929 -15.106 -32.447 1.00 0.00 C ATOM 1313 CG PRO A 116 3.372 -15.199 -32.062 1.00 0.00 C ATOM 1314 CD PRO A 116 3.459 -15.999 -30.762 1.00 0.00 C ATOM 0 HA PRO A 116 0.664 -14.491 -30.766 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.691 -15.825 -33.231 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.697 -14.116 -32.840 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.947 -15.686 -32.850 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.796 -14.204 -31.927 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.828 -17.009 -30.942 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.143 -15.531 -30.054 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.229 -15.784 -31.698 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.393 -16.604 -32.012 1.00 0.00 C ATOM 1324 C GLY A 117 -3.070 -17.137 -30.752 1.00 0.00 C ATOM 1325 O GLY A 117 -4.133 -17.754 -30.831 1.00 0.00 O ATOM 0 H GLY A 117 -1.409 -14.781 -31.663 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.108 -16.015 -32.587 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.089 -17.440 -32.642 1.00 0.00 H new ATOM 1329 N THR A 118 -2.470 -16.890 -29.588 1.00 0.00 N ATOM 1330 CA THR A 118 -3.052 -17.342 -28.326 1.00 0.00 C ATOM 1331 C THR A 118 -3.364 -16.127 -27.459 1.00 0.00 C ATOM 1332 O THR A 118 -2.651 -15.125 -27.521 1.00 0.00 O ATOM 1333 CB THR A 118 -2.069 -18.264 -27.593 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.746 -19.369 -28.425 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.696 -18.768 -26.290 1.00 0.00 C ATOM 0 H THR A 118 -1.589 -16.384 -29.493 1.00 0.00 H new ATOM 0 HA THR A 118 -3.968 -17.897 -28.527 1.00 0.00 H new ATOM 0 HB THR A 118 -1.162 -17.706 -27.359 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.117 -19.957 -27.958 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.991 -19.422 -25.776 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.937 -17.919 -25.650 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.607 -19.322 -26.515 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.413 -16.206 -26.641 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.752 -15.083 -25.777 1.00 0.00 C ATOM 1345 C TYR A 119 -3.916 -15.167 -24.507 1.00 0.00 C ATOM 1346 O TYR A 119 -3.993 -16.145 -23.763 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.244 -15.092 -25.435 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.640 -13.738 -24.902 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.817 -12.661 -25.782 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -6.831 -13.557 -23.531 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -7.186 -11.404 -25.286 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.197 -12.303 -23.037 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.375 -11.225 -23.913 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.740 -9.988 -23.421 1.00 0.00 O ATOM 0 H TYR A 119 -5.028 -17.016 -26.560 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.536 -14.150 -26.298 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.831 -15.333 -26.321 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.455 -15.863 -24.694 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.669 -12.801 -26.843 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -6.696 -14.386 -22.853 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.324 -10.574 -25.964 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.343 -12.164 -21.976 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.936 -9.471 -23.207 1.00 0.00 H new ATOM 1364 N LYS A 120 -3.067 -14.172 -24.308 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.153 -14.168 -23.175 1.00 0.00 C ATOM 1366 C LYS A 120 -2.682 -13.411 -21.949 1.00 0.00 C ATOM 1367 O LYS A 120 -3.876 -13.148 -21.796 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.830 -13.539 -23.631 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.344 -14.243 -24.899 1.00 0.00 C ATOM 1370 CD LYS A 120 0.932 -13.562 -25.402 1.00 0.00 C ATOM 1371 CE LYS A 120 0.661 -12.913 -26.760 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.676 -13.957 -27.824 1.00 0.00 N ATOM 0 H LYS A 120 -2.991 -13.356 -24.916 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.026 -15.203 -22.857 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.967 -12.475 -23.822 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -0.082 -13.627 -22.843 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.150 -15.296 -24.692 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.116 -14.206 -25.667 1.00 0.00 H new ATOM 0 HD2 LYS A 120 1.262 -12.809 -24.686 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.737 -14.292 -25.490 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -0.304 -12.407 -26.746 1.00 0.00 H new ATOM 0 HE3 LYS A 120 1.416 -12.155 -26.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.568 -13.898 -28.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 0.595 -14.898 -27.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -0.124 -13.805 -28.471 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.718 -13.014 -21.134 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.957 -12.214 -19.941 1.00 0.00 C ATOM 1388 C TYR A 121 -0.642 -11.806 -19.312 1.00 0.00 C ATOM 1389 O TYR A 121 0.430 -12.226 -19.745 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.843 -12.933 -18.905 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.170 -14.167 -18.348 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.020 -14.063 -17.547 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.720 -15.425 -18.617 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.423 -15.218 -17.029 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.125 -16.577 -18.096 1.00 0.00 C ATOM 1396 CZ TYR A 121 -0.975 -16.476 -17.304 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.385 -17.615 -16.793 1.00 0.00 O ATOM 0 H TYR A 121 -0.735 -13.241 -21.283 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.502 -11.326 -20.260 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.078 -12.248 -18.090 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.789 -13.213 -19.368 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.597 -13.093 -17.331 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.606 -15.506 -19.229 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.463 -15.140 -16.417 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.553 -17.546 -18.305 1.00 0.00 H new ATOM 0 HH TYR A 121 0.053 -17.403 -15.942 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.740 -11.002 -18.274 1.00 0.00 N ATOM 1408 CA LEU A 122 0.435 -10.549 -17.561 1.00 0.00 C ATOM 1409 C LEU A 122 0.226 -10.762 -16.077 1.00 0.00 C ATOM 1410 O LEU A 122 -0.739 -10.267 -15.511 1.00 0.00 O ATOM 1411 CB LEU A 122 0.670 -9.065 -17.846 1.00 0.00 C ATOM 1412 CG LEU A 122 1.931 -8.575 -17.128 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.138 -9.397 -17.584 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.160 -7.101 -17.475 1.00 0.00 C ATOM 0 H LEU A 122 -1.623 -10.649 -17.905 1.00 0.00 H new ATOM 0 HA LEU A 122 1.307 -11.114 -17.891 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.771 -8.906 -18.920 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.192 -8.484 -17.517 1.00 0.00 H new ATOM 0 HG LEU A 122 1.806 -8.689 -16.051 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.033 -9.045 -17.071 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.973 -10.448 -17.346 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.269 -9.285 -18.660 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.056 -6.743 -16.968 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.286 -6.996 -18.553 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.301 -6.513 -17.152 1.00 0.00 H new ATOM 1426 N GLU A 123 1.133 -11.497 -15.454 1.00 0.00 N ATOM 1427 CA GLU A 123 1.027 -11.756 -14.030 1.00 0.00 C ATOM 1428 C GLU A 123 2.271 -11.240 -13.339 1.00 0.00 C ATOM 1429 O GLU A 123 3.393 -11.560 -13.735 1.00 0.00 O ATOM 1430 CB GLU A 123 0.865 -13.254 -13.770 1.00 0.00 C ATOM 1431 CG GLU A 123 0.618 -13.479 -12.277 1.00 0.00 C ATOM 1432 CD GLU A 123 0.510 -14.969 -11.979 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.154 -15.710 -12.880 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.776 -15.347 -10.850 1.00 0.00 O ATOM 0 H GLU A 123 1.943 -11.920 -15.908 1.00 0.00 H new ATOM 0 HA GLU A 123 0.149 -11.244 -13.635 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.033 -13.649 -14.353 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.759 -13.790 -14.088 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.431 -13.043 -11.697 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.298 -12.973 -11.972 1.00 0.00 H new ATOM 1441 N VAL A 124 2.076 -10.415 -12.325 1.00 0.00 N ATOM 1442 CA VAL A 124 3.211 -9.839 -11.626 1.00 0.00 C ATOM 1443 C VAL A 124 3.075 -9.940 -10.118 1.00 0.00 C ATOM 1444 O VAL A 124 2.077 -9.507 -9.541 1.00 0.00 O ATOM 1445 CB VAL A 124 3.340 -8.369 -12.019 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.412 -7.698 -11.160 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.727 -8.274 -13.495 1.00 0.00 C ATOM 0 H VAL A 124 1.161 -10.133 -11.973 1.00 0.00 H new ATOM 0 HA VAL A 124 4.099 -10.402 -11.914 1.00 0.00 H new ATOM 0 HB VAL A 124 2.388 -7.864 -11.859 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.501 -6.649 -11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.132 -7.767 -10.109 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.368 -8.198 -11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.820 -7.226 -13.780 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.679 -8.780 -13.655 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.958 -8.749 -14.104 1.00 0.00 H new ATOM 1457 N GLN A 125 4.102 -10.495 -9.482 1.00 0.00 N ATOM 1458 CA GLN A 125 4.115 -10.624 -8.036 1.00 0.00 C ATOM 1459 C GLN A 125 5.128 -9.645 -7.473 1.00 0.00 C ATOM 1460 O GLN A 125 6.270 -9.589 -7.930 1.00 0.00 O ATOM 1461 CB GLN A 125 4.506 -12.043 -7.627 1.00 0.00 C ATOM 1462 CG GLN A 125 3.472 -13.030 -8.159 1.00 0.00 C ATOM 1463 CD GLN A 125 3.981 -13.678 -9.441 1.00 0.00 C ATOM 1464 OE1 GLN A 125 5.171 -13.970 -9.559 1.00 0.00 O ATOM 1465 NE2 GLN A 125 3.147 -13.919 -10.414 1.00 0.00 N ATOM 0 H GLN A 125 4.933 -10.861 -9.947 1.00 0.00 H new ATOM 0 HA GLN A 125 3.119 -10.412 -7.647 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.493 -12.287 -8.020 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.568 -12.116 -6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 125 3.269 -13.796 -7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.531 -12.515 -8.351 1.00 0.00 H new ATOM 0 HE21 GLN A 125 2.162 -13.676 -10.313 1.00 0.00 H new ATOM 0 HE22 GLN A 125 3.480 -14.351 -11.276 1.00 0.00 H new ATOM 1474 N TYR A 126 4.711 -8.853 -6.502 1.00 0.00 N ATOM 1475 CA TYR A 126 5.619 -7.870 -5.935 1.00 0.00 C ATOM 1476 C TYR A 126 5.215 -7.481 -4.520 1.00 0.00 C ATOM 1477 O TYR A 126 4.147 -7.854 -4.035 1.00 0.00 O ATOM 1478 CB TYR A 126 5.641 -6.629 -6.829 1.00 0.00 C ATOM 1479 CG TYR A 126 4.409 -5.803 -6.579 1.00 0.00 C ATOM 1480 CD1 TYR A 126 3.248 -6.032 -7.324 1.00 0.00 C ATOM 1481 CD2 TYR A 126 4.427 -4.805 -5.603 1.00 0.00 C ATOM 1482 CE1 TYR A 126 2.106 -5.263 -7.090 1.00 0.00 C ATOM 1483 CE2 TYR A 126 3.283 -4.035 -5.369 1.00 0.00 C ATOM 1484 CZ TYR A 126 2.121 -4.264 -6.113 1.00 0.00 C ATOM 1485 OH TYR A 126 0.991 -3.506 -5.881 1.00 0.00 O ATOM 0 H TYR A 126 3.775 -8.867 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 126 6.613 -8.313 -5.884 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.534 -6.038 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.686 -6.925 -7.877 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.234 -6.803 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.324 -4.627 -5.029 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.209 -5.441 -7.665 1.00 0.00 H new ATOM 0 HE2 TYR A 126 3.297 -3.263 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 126 1.172 -2.858 -5.169 1.00 0.00 H new ATOM 1495 N ASP A 127 6.083 -6.721 -3.867 1.00 0.00 N ATOM 1496 CA ASP A 127 5.816 -6.274 -2.511 1.00 0.00 C ATOM 1497 C ASP A 127 6.070 -4.781 -2.385 1.00 0.00 C ATOM 1498 O ASP A 127 6.745 -4.180 -3.219 1.00 0.00 O ATOM 1499 CB ASP A 127 6.702 -7.029 -1.521 1.00 0.00 C ATOM 1500 CG ASP A 127 6.179 -8.447 -1.347 1.00 0.00 C ATOM 1501 OD1 ASP A 127 4.982 -8.592 -1.183 1.00 0.00 O ATOM 1502 OD2 ASP A 127 6.983 -9.366 -1.371 1.00 0.00 O ATOM 0 H ASP A 127 6.972 -6.404 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 127 4.770 -6.477 -2.283 1.00 0.00 H new ATOM 0 HB2 ASP A 127 7.730 -7.052 -1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 127 6.712 -6.514 -0.560 1.00 0.00 H new ATOM 1507 N CYS A 128 5.526 -4.191 -1.330 1.00 0.00 N ATOM 1508 CA CYS A 128 5.703 -2.769 -1.093 1.00 0.00 C ATOM 1509 C CYS A 128 6.641 -2.560 0.091 1.00 0.00 C ATOM 1510 O CYS A 128 6.489 -3.189 1.137 1.00 0.00 O ATOM 1511 CB CYS A 128 4.346 -2.117 -0.831 1.00 0.00 C ATOM 1512 SG CYS A 128 3.356 -2.168 -2.347 1.00 0.00 S ATOM 0 H CYS A 128 4.962 -4.673 -0.630 1.00 0.00 H new ATOM 0 HA CYS A 128 6.146 -2.303 -1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.828 -2.639 -0.027 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.482 -1.085 -0.506 1.00 0.00 H new ATOM 1517 N VAL A 129 7.631 -1.696 -0.096 1.00 0.00 N ATOM 1518 CA VAL A 129 8.608 -1.443 0.955 1.00 0.00 C ATOM 1519 C VAL A 129 8.800 0.056 1.185 1.00 0.00 C ATOM 1520 O VAL A 129 8.527 0.860 0.294 1.00 0.00 O ATOM 1521 CB VAL A 129 9.934 -2.073 0.541 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.775 -3.593 0.499 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.314 -1.567 -0.852 1.00 0.00 C ATOM 0 H VAL A 129 7.778 -1.165 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 129 8.249 -1.879 1.887 1.00 0.00 H new ATOM 0 HB VAL A 129 10.712 -1.804 1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.720 -4.050 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.489 -3.956 1.486 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.002 -3.858 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.261 -2.013 -1.155 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.537 -1.845 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.414 -0.482 -0.830 1.00 0.00 H new ATOM 1533 N PRO A 130 9.273 0.450 2.346 1.00 0.00 N ATOM 1534 CA PRO A 130 9.512 1.889 2.655 1.00 0.00 C ATOM 1535 C PRO A 130 10.466 2.530 1.646 1.00 0.00 C ATOM 1536 O PRO A 130 11.383 1.883 1.143 1.00 0.00 O ATOM 1537 CB PRO A 130 10.119 1.893 4.062 1.00 0.00 C ATOM 1538 CG PRO A 130 9.832 0.549 4.646 1.00 0.00 C ATOM 1539 CD PRO A 130 9.626 -0.419 3.482 1.00 0.00 C ATOM 0 HA PRO A 130 8.592 2.471 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.192 2.078 4.022 1.00 0.00 H new ATOM 0 HB3 PRO A 130 9.682 2.683 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.658 0.220 5.277 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.944 0.586 5.277 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.529 -0.994 3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.833 -1.136 3.696 1.00 0.00 H new ATOM 1547 N TYR A 131 10.222 3.799 1.352 1.00 0.00 N ATOM 1548 CA TYR A 131 11.041 4.533 0.389 1.00 0.00 C ATOM 1549 C TYR A 131 12.370 4.959 1.000 1.00 0.00 C ATOM 1550 O TYR A 131 12.946 5.975 0.608 1.00 0.00 O ATOM 1551 CB TYR A 131 10.273 5.768 -0.094 1.00 0.00 C ATOM 1552 CG TYR A 131 10.983 6.409 -1.267 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.287 5.659 -2.414 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.325 7.766 -1.210 1.00 0.00 C ATOM 1555 CE1 TYR A 131 11.930 6.267 -3.497 1.00 0.00 C ATOM 1556 CE2 TYR A 131 11.969 8.372 -2.292 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.272 7.625 -3.437 1.00 0.00 C ATOM 1558 OH TYR A 131 12.903 8.227 -4.506 1.00 0.00 O ATOM 0 H TYR A 131 9.465 4.344 1.764 1.00 0.00 H new ATOM 0 HA TYR A 131 11.255 3.874 -0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.262 5.484 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 131 10.181 6.487 0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 131 11.024 4.612 -2.460 1.00 0.00 H new ATOM 0 HD2 TYR A 131 11.091 8.345 -0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.163 5.690 -4.380 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.233 9.418 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 131 13.067 9.171 -4.300 1.00 0.00 H new ATOM 1568 N LYS A 132 12.855 4.183 1.960 1.00 0.00 N ATOM 1569 CA LYS A 132 14.117 4.501 2.612 1.00 0.00 C ATOM 1570 C LYS A 132 15.284 3.850 1.872 1.00 0.00 C ATOM 1571 O LYS A 132 15.217 2.681 1.488 1.00 0.00 O ATOM 1572 CB LYS A 132 14.088 4.018 4.064 1.00 0.00 C ATOM 1573 CG LYS A 132 15.276 4.606 4.827 1.00 0.00 C ATOM 1574 CD LYS A 132 14.945 6.033 5.276 1.00 0.00 C ATOM 1575 CE LYS A 132 16.107 6.583 6.103 1.00 0.00 C ATOM 1576 NZ LYS A 132 17.362 5.883 5.712 1.00 0.00 N ATOM 0 H LYS A 132 12.399 3.337 2.302 1.00 0.00 H new ATOM 0 HA LYS A 132 14.254 5.582 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 132 13.154 4.319 4.539 1.00 0.00 H new ATOM 0 HB3 LYS A 132 14.126 2.929 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 132 15.507 3.986 5.693 1.00 0.00 H new ATOM 0 HG3 LYS A 132 16.162 4.610 4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 132 14.768 6.668 4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.029 6.038 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.209 7.656 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.912 6.439 7.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 18.179 6.384 6.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 17.342 4.907 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 17.443 5.868 4.675 1.00 0.00 H new ATOM 1590 N VAL A 133 16.349 4.619 1.670 1.00 0.00 N ATOM 1591 CA VAL A 133 17.527 4.119 0.969 1.00 0.00 C ATOM 1592 C VAL A 133 18.513 3.496 1.947 1.00 0.00 C ATOM 1593 O VAL A 133 18.722 4.007 3.047 1.00 0.00 O ATOM 1594 CB VAL A 133 18.211 5.264 0.223 1.00 0.00 C ATOM 1595 CG1 VAL A 133 18.759 6.275 1.232 1.00 0.00 C ATOM 1596 CG2 VAL A 133 19.362 4.707 -0.616 1.00 0.00 C ATOM 0 H VAL A 133 16.421 5.588 1.981 1.00 0.00 H new ATOM 0 HA VAL A 133 17.205 3.356 0.260 1.00 0.00 H new ATOM 0 HB VAL A 133 17.489 5.756 -0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 133 19.247 7.092 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 133 17.940 6.671 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 133 19.481 5.784 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 133 19.851 5.522 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 133 20.083 4.216 0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 133 18.973 3.986 -1.335 1.00 0.00 H new ATOM 1606 N GLU A 134 19.123 2.390 1.537 1.00 0.00 N ATOM 1607 CA GLU A 134 20.091 1.712 2.387 1.00 0.00 C ATOM 1608 C GLU A 134 19.497 1.441 3.767 1.00 0.00 C ATOM 1609 O GLU A 134 19.254 2.398 4.483 1.00 0.00 O ATOM 1610 CB GLU A 134 21.349 2.572 2.521 1.00 0.00 C ATOM 1611 CG GLU A 134 22.289 1.955 3.557 1.00 0.00 C ATOM 1612 CD GLU A 134 22.732 0.572 3.097 1.00 0.00 C ATOM 1613 OE1 GLU A 134 22.730 0.340 1.899 1.00 0.00 O ATOM 1614 OE2 GLU A 134 23.063 -0.235 3.949 1.00 0.00 O ATOM 1615 OXT GLU A 134 19.296 0.281 4.086 1.00 0.00 O ATOM 0 H GLU A 134 18.966 1.948 0.631 1.00 0.00 H new ATOM 0 HA GLU A 134 20.351 0.757 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 134 21.854 2.647 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 134 21.078 3.585 2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 134 23.159 2.596 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 134 21.785 1.883 4.521 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.616 1.332 -5.841 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.582 0.946 -6.926 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.716 0.149 -6.339 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.408 0.960 -5.280 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.401 1.414 -4.241 1.00 0.00 C HETATM 1628 C6 NAG A 135 18.026 2.372 -3.229 1.00 0.00 C HETATM 1629 C7 NAG A 135 16.166 0.416 -9.231 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.460 -0.414 -10.273 1.00 0.00 C HETATM 1631 N2 NAG A 135 15.906 0.154 -7.956 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.645 -0.201 -7.377 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.425 0.168 -4.653 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.289 2.102 -4.866 1.00 0.00 O HETATM 1635 O6 NAG A 135 17.498 2.161 -1.910 1.00 0.00 O HETATM 1636 O7 NAG A 135 16.951 1.298 -9.580 1.00 0.00 O HETATM 0 HO6 NAG A 135 18.226 1.917 -1.301 1.00 0.00 H new HETATM 0 HO4 NAG A 135 20.219 0.721 -4.494 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.384 -0.718 -6.994 1.00 0.00 H new HETATM 0 HN2 NAG A 135 15.249 -0.583 -7.699 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.718 -1.464 -10.138 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.382 -0.289 -10.169 1.00 0.00 H new HETATM 0 H81 NAG A 135 15.768 -0.090 -11.267 1.00 0.00 H new HETATM 0 H62 NAG A 135 19.107 2.235 -3.216 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.839 3.401 -3.537 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.058 0.513 -3.732 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.866 1.835 -5.741 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.325 -0.763 -5.888 1.00 0.00 H new HETATM 0 H2 NAG A 135 16.974 1.855 -7.382 1.00 0.00 H new