USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 947 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 113 SER OG : rot -108:sc= -2.02! USER MOD Set 1.2: A 116 HIS : no HD1:sc= -19.4! C(o=-21!,f=-28!) USER MOD Set 2.1: A 109 ASN : amide:sc= -3.37! C(o=-8.6!,f=-11!) USER MOD Set 2.2: A 111 TYR OH : rot -18:sc= -5.24! USER MOD Set 3.1: A 31 SER OG : rot 96:sc= 0.621 USER MOD Set 3.2: A 108 TYR OH : rot 180:sc= 0.291 USER MOD Set 4.1: A 26 LYS NZ :NH3+ -111:sc= -2.17 (180deg=-3.23!) USER MOD Set 4.2: A 59 GLN : amide:sc= -3.82! C(o=-6!,f=-15!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -15:sc= 0.0597 USER MOD Single : A 35 HIS : no HE2:sc= -8.75! C(o=-8.7!,f=-15!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -160:sc= -2.35! USER MOD Single : A 52 SER OG : rot -61:sc= 1.16 USER MOD Single : A 54 GLN :FLIP amide:sc= -4.12! C(o=-4.8!,f=-4.1!) USER MOD Single : A 55 HIS : no HD1:sc= -6.87! C(o=-6.9!,f=-7.3!) USER MOD Single : A 57 GLN : amide:sc= -0.739! C(o=-0.74!,f=-11!) USER MOD Single : A 61 SER OG : rot -57:sc= 0.885 USER MOD Single : A 64 SER OG : rot 73:sc= 0.86 USER MOD Single : A 69 TYR OH : rot 180:sc=-0.00974 USER MOD Single : A 71 LYS NZ :NH3+ 165:sc= -3.13 (180deg=-4.37!) USER MOD Single : A 72 SER OG : rot 35:sc= 0.0366 USER MOD Single : A 73 THR OG1 : rot -63:sc= 0.277! USER MOD Single : A 75 THR OG1 : rot -66:sc= 1.2 USER MOD Single : A 77 GLN : amide:sc= -7.55! C(o=-7.6!,f=-15!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -154:sc= -4.87! (180deg=-6.84!) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.699 USER MOD Single : A 88 TYR OH : rot -65:sc= 1.33 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0.067 X(o=0.067,f=0) USER MOD Single : A 92 THR OG1 : rot 71:sc= 0.852 USER MOD Single : A 94 ASN :FLIP amide:sc= -5.16! C(o=-7.4!,f=-5.2!) USER MOD Single : A 97 CYS SG : rot -58:sc= -1.69 USER MOD Single : A 106 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.098) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -3.73! C(o=-4.9!,f=-3.7!) USER MOD Single : A 110 THR OG1 : rot 49:sc= -3.68! USER MOD Single : A 114 LYS NZ :NH3+ -156:sc= -0.636 (180deg=-1.88!) USER MOD Single : A 115 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0634) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN :FLIP amide:sc= -0.0633 F(o=-0.9,f=-0.063) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.837 K(o=-0.84,f=-3.1!) USER MOD Single : A 130 SER OG : rot 60:sc= 0.979 USER MOD Single : A 131 CYS SG : rot -68:sc= -3.72! USER MOD Single : A 132 LYS NZ :NH3+ -160:sc= -0.295 (180deg=-0.834) USER MOD Single : A 137 THR OG1 : rot -155:sc= -0.123! USER MOD Single : A 138 HIS : no HE2:sc= -0.906 K(o=-0.91,f=-4.6!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -8.291 -6.315 8.923 1.00 0.00 N ATOM 38 CA LYS A 26 -7.249 -6.801 8.035 1.00 0.00 C ATOM 39 C LYS A 26 -5.950 -6.042 8.316 1.00 0.00 C ATOM 40 O LYS A 26 -5.979 -4.858 8.649 1.00 0.00 O ATOM 41 CB LYS A 26 -7.706 -6.719 6.577 1.00 0.00 C ATOM 42 CG LYS A 26 -6.559 -7.058 5.623 1.00 0.00 C ATOM 43 CD LYS A 26 -6.755 -6.379 4.266 1.00 0.00 C ATOM 44 CE LYS A 26 -5.436 -5.809 3.742 1.00 0.00 C ATOM 45 NZ LYS A 26 -5.425 -5.803 2.262 1.00 0.00 N ATOM 0 HA LYS A 26 -7.050 -7.856 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.536 -7.407 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.077 -5.716 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.612 -6.740 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.501 -8.138 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.154 -7.098 3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.490 -5.579 4.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.297 -4.795 4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.602 -6.404 4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.737 -6.503 1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.372 -6.044 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.158 -4.858 1.921 1.00 0.00 H new ATOM 59 N LEU A 27 -4.843 -6.755 8.172 1.00 0.00 N ATOM 60 CA LEU A 27 -3.536 -6.163 8.406 1.00 0.00 C ATOM 61 C LEU A 27 -2.575 -6.605 7.300 1.00 0.00 C ATOM 62 O LEU A 27 -2.087 -7.733 7.312 1.00 0.00 O ATOM 63 CB LEU A 27 -3.044 -6.492 9.816 1.00 0.00 C ATOM 64 CG LEU A 27 -2.026 -7.630 9.923 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.667 -7.204 9.366 1.00 0.00 C ATOM 66 CD2 LEU A 27 -1.922 -8.140 11.362 1.00 0.00 C ATOM 0 H LEU A 27 -4.824 -7.737 7.896 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.596 -5.076 8.360 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.600 -5.593 10.244 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.908 -6.745 10.431 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.378 -8.461 9.312 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.038 -8.031 9.454 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.774 -6.929 8.317 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.295 -6.348 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.192 -8.948 11.410 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.606 -7.326 12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.894 -8.510 11.688 1.00 0.00 H new ATOM 78 N LEU A 28 -2.334 -5.692 6.371 1.00 0.00 N ATOM 79 CA LEU A 28 -1.440 -5.973 5.260 1.00 0.00 C ATOM 80 C LEU A 28 -0.009 -6.109 5.784 1.00 0.00 C ATOM 81 O LEU A 28 0.272 -5.760 6.930 1.00 0.00 O ATOM 82 CB LEU A 28 -1.597 -4.916 4.165 1.00 0.00 C ATOM 83 CG LEU A 28 -1.928 -5.442 2.767 1.00 0.00 C ATOM 84 CD1 LEU A 28 -1.996 -4.299 1.753 1.00 0.00 C ATOM 85 CD2 LEU A 28 -0.939 -6.528 2.341 1.00 0.00 C ATOM 0 H LEU A 28 -2.742 -4.757 6.364 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.700 -6.923 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.383 -4.223 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.672 -4.342 4.106 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.916 -5.902 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.233 -4.700 0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.770 -3.592 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.034 -3.788 1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.197 -6.884 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.070 -6.117 2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.984 -7.358 3.046 1.00 0.00 H new ATOM 97 N TYR A 29 0.858 -6.616 4.920 1.00 0.00 N ATOM 98 CA TYR A 29 2.253 -6.802 5.282 1.00 0.00 C ATOM 99 C TYR A 29 3.123 -6.984 4.036 1.00 0.00 C ATOM 100 O TYR A 29 2.647 -7.462 3.007 1.00 0.00 O ATOM 101 CB TYR A 29 2.305 -8.083 6.117 1.00 0.00 C ATOM 102 CG TYR A 29 3.715 -8.649 6.301 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.674 -7.911 6.964 1.00 0.00 C ATOM 104 CD2 TYR A 29 4.027 -9.897 5.802 1.00 0.00 C ATOM 105 CE1 TYR A 29 6.000 -8.444 7.137 1.00 0.00 C ATOM 106 CE2 TYR A 29 5.354 -10.430 5.975 1.00 0.00 C ATOM 107 CZ TYR A 29 6.275 -9.677 6.634 1.00 0.00 C ATOM 108 OH TYR A 29 7.528 -10.181 6.797 1.00 0.00 O ATOM 0 H TYR A 29 0.622 -6.904 3.970 1.00 0.00 H new ATOM 0 HA TYR A 29 2.628 -5.934 5.824 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.874 -7.883 7.098 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.680 -8.839 5.643 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.430 -6.934 7.353 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.277 -10.474 5.282 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.760 -7.877 7.655 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.612 -11.406 5.590 1.00 0.00 H new ATOM 0 HH TYR A 29 7.579 -11.070 6.388 1.00 0.00 H new ATOM 118 N CYS A 30 4.382 -6.593 4.170 1.00 0.00 N ATOM 119 CA CYS A 30 5.322 -6.708 3.068 1.00 0.00 C ATOM 120 C CYS A 30 5.862 -8.139 3.044 1.00 0.00 C ATOM 121 O CYS A 30 5.832 -8.834 4.058 1.00 0.00 O ATOM 122 CB CYS A 30 6.446 -5.675 3.175 1.00 0.00 C ATOM 123 SG CYS A 30 5.834 -4.029 2.660 1.00 0.00 S ATOM 0 H CYS A 30 4.773 -6.196 5.025 1.00 0.00 H new ATOM 0 HA CYS A 30 4.812 -6.498 2.128 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.814 -5.631 4.200 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.286 -5.973 2.547 1.00 0.00 H new ATOM 0 HG CYS A 30 4.708 -4.164 2.024 1.00 0.00 H new ATOM 129 N SER A 31 6.344 -8.536 1.875 1.00 0.00 N ATOM 130 CA SER A 31 6.890 -9.872 1.706 1.00 0.00 C ATOM 131 C SER A 31 8.189 -10.011 2.502 1.00 0.00 C ATOM 132 O SER A 31 8.305 -9.479 3.605 1.00 0.00 O ATOM 133 CB SER A 31 7.137 -10.182 0.228 1.00 0.00 C ATOM 134 OG SER A 31 7.835 -11.412 0.051 1.00 0.00 O ATOM 0 H SER A 31 6.368 -7.956 1.036 1.00 0.00 H new ATOM 0 HA SER A 31 6.162 -10.590 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.183 -10.227 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.710 -9.371 -0.222 1.00 0.00 H new ATOM 0 HG SER A 31 7.192 -12.132 -0.117 1.00 0.00 H new ATOM 168 N HIS A 35 7.820 -4.763 5.921 1.00 0.00 N ATOM 169 CA HIS A 35 7.220 -4.112 7.073 1.00 0.00 C ATOM 170 C HIS A 35 5.698 -4.259 7.011 1.00 0.00 C ATOM 171 O HIS A 35 5.184 -5.144 6.329 1.00 0.00 O ATOM 172 CB HIS A 35 7.671 -2.654 7.170 1.00 0.00 C ATOM 173 CG HIS A 35 9.167 -2.466 7.076 1.00 0.00 C ATOM 174 ND1 HIS A 35 9.952 -3.145 6.161 1.00 0.00 N ATOM 175 CD2 HIS A 35 10.012 -1.669 7.792 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.211 -2.767 6.327 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.246 -1.853 7.339 1.00 0.00 N ATOM 0 HA HIS A 35 7.560 -4.598 7.987 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.193 -2.083 6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.322 -2.238 8.115 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.618 -3.822 5.475 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.725 -1.002 8.591 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.060 -3.120 5.761 1.00 0.00 H new ATOM 185 N PHE A 36 5.021 -3.378 7.733 1.00 0.00 N ATOM 186 CA PHE A 36 3.569 -3.399 7.768 1.00 0.00 C ATOM 187 C PHE A 36 2.996 -1.989 7.610 1.00 0.00 C ATOM 188 O PHE A 36 2.985 -1.209 8.561 1.00 0.00 O ATOM 189 CB PHE A 36 3.162 -3.950 9.137 1.00 0.00 C ATOM 190 CG PHE A 36 3.345 -5.463 9.277 1.00 0.00 C ATOM 191 CD1 PHE A 36 4.582 -5.981 9.501 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.269 -6.289 9.177 1.00 0.00 C ATOM 193 CE1 PHE A 36 4.751 -7.385 9.632 1.00 0.00 C ATOM 194 CE2 PHE A 36 2.438 -7.693 9.308 1.00 0.00 C ATOM 195 CZ PHE A 36 3.675 -8.211 9.532 1.00 0.00 C ATOM 0 H PHE A 36 5.451 -2.646 8.298 1.00 0.00 H new ATOM 0 HA PHE A 36 3.187 -4.012 6.952 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.749 -3.450 9.908 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.117 -3.702 9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.436 -5.325 9.579 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.287 -5.877 8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.733 -7.797 9.811 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.584 -8.349 9.230 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.803 -9.279 9.631 1.00 0.00 H new ATOM 205 N LEU A 37 2.536 -1.704 6.400 1.00 0.00 N ATOM 206 CA LEU A 37 1.964 -0.402 6.105 1.00 0.00 C ATOM 207 C LEU A 37 1.081 0.040 7.274 1.00 0.00 C ATOM 208 O LEU A 37 0.707 -0.774 8.117 1.00 0.00 O ATOM 209 CB LEU A 37 1.234 -0.429 4.760 1.00 0.00 C ATOM 210 CG LEU A 37 1.793 0.493 3.675 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.408 -0.005 2.281 1.00 0.00 C ATOM 212 CD2 LEU A 37 1.356 1.941 3.908 1.00 0.00 C ATOM 0 H LEU A 37 2.548 -2.353 5.613 1.00 0.00 H new ATOM 0 HA LEU A 37 2.752 0.344 6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.247 -1.451 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.190 -0.166 4.930 1.00 0.00 H new ATOM 0 HG LEU A 37 2.881 0.471 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.818 0.668 1.528 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.809 -1.007 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.322 -0.032 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.767 2.576 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.268 2.000 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.722 2.280 4.877 1.00 0.00 H new ATOM 224 N ARG A 38 0.774 1.329 7.288 1.00 0.00 N ATOM 225 CA ARG A 38 -0.057 1.889 8.340 1.00 0.00 C ATOM 226 C ARG A 38 -0.769 3.147 7.841 1.00 0.00 C ATOM 227 O ARG A 38 -0.333 3.770 6.874 1.00 0.00 O ATOM 228 CB ARG A 38 0.777 2.239 9.574 1.00 0.00 C ATOM 229 CG ARG A 38 2.122 2.849 9.172 1.00 0.00 C ATOM 230 CD ARG A 38 3.285 2.018 9.716 1.00 0.00 C ATOM 231 NE ARG A 38 3.340 2.128 11.191 1.00 0.00 N ATOM 232 CZ ARG A 38 3.855 3.177 11.847 1.00 0.00 C ATOM 233 NH1 ARG A 38 4.364 4.211 11.163 1.00 0.00 N ATOM 234 NH2 ARG A 38 3.863 3.191 13.187 1.00 0.00 N ATOM 0 H ARG A 38 1.086 2.002 6.587 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.794 1.135 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.228 2.941 10.201 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.944 1.342 10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.189 2.907 8.086 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.191 3.869 9.551 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.164 0.974 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.223 2.363 9.282 1.00 0.00 H new ATOM 0 HE ARG A 38 2.962 1.357 11.742 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.359 4.200 10.143 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.756 5.009 11.662 1.00 0.00 H new ATOM 0 HH21 ARG A 38 3.477 2.403 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.255 3.989 13.686 1.00 0.00 H new ATOM 248 N ILE A 39 -1.854 3.485 8.522 1.00 0.00 N ATOM 249 CA ILE A 39 -2.631 4.658 8.160 1.00 0.00 C ATOM 250 C ILE A 39 -2.827 5.537 9.397 1.00 0.00 C ATOM 251 O ILE A 39 -3.577 5.181 10.304 1.00 0.00 O ATOM 252 CB ILE A 39 -3.941 4.246 7.485 1.00 0.00 C ATOM 253 CG1 ILE A 39 -4.068 4.882 6.100 1.00 0.00 C ATOM 254 CG2 ILE A 39 -5.142 4.568 8.377 1.00 0.00 C ATOM 255 CD1 ILE A 39 -3.413 4.004 5.031 1.00 0.00 C ATOM 0 H ILE A 39 -2.214 2.966 9.323 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.095 5.257 7.424 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.927 3.165 7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.121 5.030 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.600 5.867 6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.060 4.265 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.050 4.029 9.320 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.172 5.640 8.574 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.518 4.479 4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.355 3.878 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.899 3.029 5.013 1.00 0.00 H new ATOM 267 N LEU A 40 -2.138 6.669 9.394 1.00 0.00 N ATOM 268 CA LEU A 40 -2.226 7.602 10.505 1.00 0.00 C ATOM 269 C LEU A 40 -3.391 8.565 10.265 1.00 0.00 C ATOM 270 O LEU A 40 -3.625 8.991 9.135 1.00 0.00 O ATOM 271 CB LEU A 40 -0.884 8.302 10.724 1.00 0.00 C ATOM 272 CG LEU A 40 0.362 7.494 10.358 1.00 0.00 C ATOM 273 CD1 LEU A 40 1.530 8.417 10.005 1.00 0.00 C ATOM 274 CD2 LEU A 40 0.725 6.511 11.473 1.00 0.00 C ATOM 0 H LEU A 40 -1.516 6.961 8.640 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.437 7.071 11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.879 9.224 10.142 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.813 8.587 11.774 1.00 0.00 H new ATOM 0 HG LEU A 40 0.138 6.904 9.469 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.403 7.817 9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.256 9.041 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.764 9.051 10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.614 5.949 11.187 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.923 7.061 12.393 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.104 5.821 11.634 1.00 0.00 H new ATOM 286 N PRO A 41 -4.108 8.887 11.374 1.00 0.00 N ATOM 287 CA PRO A 41 -5.242 9.792 11.295 1.00 0.00 C ATOM 288 C PRO A 41 -4.777 11.241 11.132 1.00 0.00 C ATOM 289 O PRO A 41 -5.585 12.166 11.193 1.00 0.00 O ATOM 290 CB PRO A 41 -6.021 9.559 12.580 1.00 0.00 C ATOM 291 CG PRO A 41 -5.055 8.879 13.536 1.00 0.00 C ATOM 292 CD PRO A 41 -3.859 8.401 12.728 1.00 0.00 C ATOM 0 HA PRO A 41 -5.870 9.605 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.382 10.500 12.994 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.896 8.934 12.399 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.737 9.572 14.315 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.539 8.039 14.035 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.927 8.800 13.127 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.775 7.314 12.750 1.00 0.00 H new ATOM 300 N ASP A 42 -3.477 11.392 10.928 1.00 0.00 N ATOM 301 CA ASP A 42 -2.895 12.712 10.756 1.00 0.00 C ATOM 302 C ASP A 42 -2.816 13.039 9.264 1.00 0.00 C ATOM 303 O ASP A 42 -2.957 14.196 8.870 1.00 0.00 O ATOM 304 CB ASP A 42 -1.477 12.768 11.328 1.00 0.00 C ATOM 305 CG ASP A 42 -1.355 13.458 12.688 1.00 0.00 C ATOM 306 OD1 ASP A 42 -1.490 14.701 12.708 1.00 0.00 O ATOM 307 OD2 ASP A 42 -1.129 12.728 13.677 1.00 0.00 O ATOM 0 H ASP A 42 -2.810 10.622 10.878 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.525 13.429 11.283 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.098 11.750 11.419 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.834 13.286 10.616 1.00 0.00 H new ATOM 312 N GLY A 43 -2.592 12.000 8.474 1.00 0.00 N ATOM 313 CA GLY A 43 -2.493 12.162 7.033 1.00 0.00 C ATOM 314 C GLY A 43 -1.106 11.756 6.530 1.00 0.00 C ATOM 315 O GLY A 43 -0.601 12.325 5.563 1.00 0.00 O ATOM 0 H GLY A 43 -2.476 11.042 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.254 11.555 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.691 13.200 6.766 1.00 0.00 H new ATOM 319 N THR A 44 -0.529 10.775 7.208 1.00 0.00 N ATOM 320 CA THR A 44 0.789 10.286 6.842 1.00 0.00 C ATOM 321 C THR A 44 0.762 8.768 6.654 1.00 0.00 C ATOM 322 O THR A 44 -0.151 8.096 7.131 1.00 0.00 O ATOM 323 CB THR A 44 1.779 10.748 7.913 1.00 0.00 C ATOM 324 OG1 THR A 44 1.991 12.126 7.619 1.00 0.00 O ATOM 325 CG2 THR A 44 3.162 10.114 7.746 1.00 0.00 C ATOM 0 H THR A 44 -0.951 10.305 8.009 1.00 0.00 H new ATOM 0 HA THR A 44 1.110 10.695 5.884 1.00 0.00 H new ATOM 0 HB THR A 44 1.385 10.504 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.620 12.506 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.825 10.476 8.532 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.076 9.030 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.571 10.384 6.773 1.00 0.00 H new ATOM 333 N VAL A 45 1.774 8.272 5.957 1.00 0.00 N ATOM 334 CA VAL A 45 1.877 6.846 5.700 1.00 0.00 C ATOM 335 C VAL A 45 3.291 6.371 6.042 1.00 0.00 C ATOM 336 O VAL A 45 4.208 7.182 6.168 1.00 0.00 O ATOM 337 CB VAL A 45 1.480 6.545 4.253 1.00 0.00 C ATOM 338 CG1 VAL A 45 0.860 5.151 4.134 1.00 0.00 C ATOM 339 CG2 VAL A 45 0.530 7.615 3.711 1.00 0.00 C ATOM 0 H VAL A 45 2.530 8.832 5.563 1.00 0.00 H new ATOM 0 HA VAL A 45 1.185 6.293 6.335 1.00 0.00 H new ATOM 0 HB VAL A 45 2.385 6.563 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.587 4.962 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.582 4.403 4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.031 5.094 4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.264 7.377 2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.372 7.644 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.021 8.588 3.743 1.00 0.00 H new ATOM 349 N ASP A 46 3.423 5.061 6.183 1.00 0.00 N ATOM 350 CA ASP A 46 4.710 4.469 6.509 1.00 0.00 C ATOM 351 C ASP A 46 4.547 2.955 6.657 1.00 0.00 C ATOM 352 O ASP A 46 3.475 2.413 6.392 1.00 0.00 O ATOM 353 CB ASP A 46 5.250 5.018 7.830 1.00 0.00 C ATOM 354 CG ASP A 46 4.292 5.939 8.588 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.081 5.626 8.583 1.00 0.00 O ATOM 356 OD2 ASP A 46 4.791 6.935 9.155 1.00 0.00 O ATOM 0 H ASP A 46 2.660 4.392 6.078 1.00 0.00 H new ATOM 0 HA ASP A 46 5.406 4.712 5.706 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.510 4.179 8.475 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.172 5.564 7.629 1.00 0.00 H new ATOM 361 N GLY A 47 5.626 2.314 7.081 1.00 0.00 N ATOM 362 CA GLY A 47 5.617 0.873 7.268 1.00 0.00 C ATOM 363 C GLY A 47 6.284 0.488 8.590 1.00 0.00 C ATOM 364 O GLY A 47 7.316 1.049 8.955 1.00 0.00 O ATOM 0 H GLY A 47 6.513 2.767 7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.590 0.507 7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.138 0.392 6.440 1.00 0.00 H new ATOM 368 N THR A 48 5.667 -0.467 9.270 1.00 0.00 N ATOM 369 CA THR A 48 6.188 -0.935 10.544 1.00 0.00 C ATOM 370 C THR A 48 6.800 -2.329 10.390 1.00 0.00 C ATOM 371 O THR A 48 6.121 -3.266 9.971 1.00 0.00 O ATOM 372 CB THR A 48 5.054 -0.878 11.568 1.00 0.00 C ATOM 373 OG1 THR A 48 5.025 0.486 11.980 1.00 0.00 O ATOM 374 CG2 THR A 48 5.383 -1.647 12.849 1.00 0.00 C ATOM 0 H THR A 48 4.811 -0.930 8.963 1.00 0.00 H new ATOM 0 HA THR A 48 6.997 -0.297 10.899 1.00 0.00 H new ATOM 0 HB THR A 48 4.145 -1.283 11.124 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.563 0.558 12.841 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.545 -1.575 13.542 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.565 -2.694 12.608 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.274 -1.221 13.311 1.00 0.00 H new ATOM 382 N ARG A 49 8.075 -2.422 10.738 1.00 0.00 N ATOM 383 CA ARG A 49 8.785 -3.686 10.644 1.00 0.00 C ATOM 384 C ARG A 49 7.949 -4.812 11.256 1.00 0.00 C ATOM 385 O ARG A 49 7.819 -5.884 10.667 1.00 0.00 O ATOM 386 CB ARG A 49 10.134 -3.614 11.362 1.00 0.00 C ATOM 387 CG ARG A 49 10.058 -2.695 12.582 1.00 0.00 C ATOM 388 CD ARG A 49 10.831 -1.397 12.341 1.00 0.00 C ATOM 389 NE ARG A 49 11.707 -1.107 13.498 1.00 0.00 N ATOM 390 CZ ARG A 49 12.212 0.103 13.773 1.00 0.00 C ATOM 391 NH1 ARG A 49 11.932 1.143 12.976 1.00 0.00 N ATOM 392 NH2 ARG A 49 12.998 0.273 14.845 1.00 0.00 N ATOM 0 H ARG A 49 8.634 -1.643 11.085 1.00 0.00 H new ATOM 0 HA ARG A 49 8.958 -3.891 9.588 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.438 -4.613 11.674 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.897 -3.249 10.674 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.016 -2.466 12.804 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.465 -3.208 13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.429 -1.484 11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.135 -0.573 12.186 1.00 0.00 H new ATOM 0 HE ARG A 49 11.941 -1.877 14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.334 1.014 12.160 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.317 2.064 13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.212 -0.519 15.451 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.383 1.194 15.054 1.00 0.00 H new ATOM 406 N ASP A 50 7.404 -4.530 12.430 1.00 0.00 N ATOM 407 CA ASP A 50 6.584 -5.505 13.128 1.00 0.00 C ATOM 408 C ASP A 50 5.248 -4.864 13.508 1.00 0.00 C ATOM 409 O ASP A 50 5.118 -4.282 14.584 1.00 0.00 O ATOM 410 CB ASP A 50 7.264 -5.977 14.414 1.00 0.00 C ATOM 411 CG ASP A 50 8.179 -7.193 14.254 1.00 0.00 C ATOM 412 OD1 ASP A 50 7.714 -8.176 13.639 1.00 0.00 O ATOM 413 OD2 ASP A 50 9.324 -7.111 14.749 1.00 0.00 O ATOM 0 H ASP A 50 7.514 -3.640 12.916 1.00 0.00 H new ATOM 0 HA ASP A 50 6.436 -6.357 12.464 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.849 -5.152 14.821 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.494 -6.215 15.148 1.00 0.00 H new ATOM 418 N ARG A 51 4.288 -4.991 12.603 1.00 0.00 N ATOM 419 CA ARG A 51 2.967 -4.431 12.830 1.00 0.00 C ATOM 420 C ARG A 51 2.687 -4.321 14.330 1.00 0.00 C ATOM 421 O ARG A 51 2.626 -5.331 15.029 1.00 0.00 O ATOM 422 CB ARG A 51 1.884 -5.292 12.177 1.00 0.00 C ATOM 423 CG ARG A 51 2.379 -6.724 11.960 1.00 0.00 C ATOM 424 CD ARG A 51 2.810 -7.361 13.283 1.00 0.00 C ATOM 425 NE ARG A 51 1.654 -7.450 14.202 1.00 0.00 N ATOM 426 CZ ARG A 51 1.732 -7.880 15.469 1.00 0.00 C ATOM 427 NH1 ARG A 51 2.913 -8.262 15.975 1.00 0.00 N ATOM 428 NH2 ARG A 51 0.631 -7.927 16.230 1.00 0.00 N ATOM 0 H ARG A 51 4.399 -5.474 11.711 1.00 0.00 H new ATOM 0 HA ARG A 51 2.946 -3.438 12.380 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.994 -5.302 12.806 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.594 -4.855 11.222 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.588 -7.321 11.505 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.217 -6.721 11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.218 -8.355 13.101 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.603 -6.769 13.740 1.00 0.00 H new ATOM 0 HE ARG A 51 0.740 -7.166 13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.752 -8.225 15.396 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.973 -8.589 16.939 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.268 -7.635 15.845 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.691 -8.254 17.194 1.00 0.00 H new ATOM 442 N SER A 52 2.524 -3.086 14.780 1.00 0.00 N ATOM 443 CA SER A 52 2.252 -2.831 16.185 1.00 0.00 C ATOM 444 C SER A 52 2.120 -1.326 16.428 1.00 0.00 C ATOM 445 O SER A 52 2.984 -0.718 17.059 1.00 0.00 O ATOM 446 CB SER A 52 3.350 -3.419 17.074 1.00 0.00 C ATOM 447 OG SER A 52 3.531 -2.663 18.268 1.00 0.00 O ATOM 0 H SER A 52 2.575 -2.251 14.197 1.00 0.00 H new ATOM 0 HA SER A 52 1.312 -3.318 16.445 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.097 -4.448 17.331 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.288 -3.451 16.519 1.00 0.00 H new ATOM 0 HG SER A 52 3.805 -1.750 18.039 1.00 0.00 H new ATOM 453 N ASP A 53 1.033 -0.769 15.915 1.00 0.00 N ATOM 454 CA ASP A 53 0.778 0.653 16.068 1.00 0.00 C ATOM 455 C ASP A 53 -0.695 0.867 16.421 1.00 0.00 C ATOM 456 O ASP A 53 -1.436 -0.095 16.619 1.00 0.00 O ATOM 457 CB ASP A 53 1.067 1.408 14.770 1.00 0.00 C ATOM 458 CG ASP A 53 1.508 2.862 14.951 1.00 0.00 C ATOM 459 OD1 ASP A 53 2.325 3.097 15.868 1.00 0.00 O ATOM 460 OD2 ASP A 53 1.018 3.705 14.169 1.00 0.00 O ATOM 0 H ASP A 53 0.319 -1.277 15.393 1.00 0.00 H new ATOM 0 HA ASP A 53 1.430 1.029 16.856 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.844 0.874 14.222 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.171 1.391 14.150 1.00 0.00 H new ATOM 465 N GLN A 54 -1.077 2.134 16.490 1.00 0.00 N ATOM 466 CA GLN A 54 -2.448 2.486 16.815 1.00 0.00 C ATOM 467 C GLN A 54 -3.415 1.810 15.842 1.00 0.00 C ATOM 468 O GLN A 54 -4.434 1.259 16.256 1.00 0.00 O ATOM 469 CB GLN A 54 -2.640 4.004 16.812 1.00 0.00 C ATOM 470 CG GLN A 54 -4.123 4.370 16.730 1.00 0.00 C ATOM 471 CD GLN A 54 -4.419 5.183 15.468 1.00 0.00 C ATOM 472 OE1 GLN A 54 -3.775 4.756 14.386 1.00 0.00 O flip ATOM 473 NE2 GLN A 54 -5.181 6.136 15.477 1.00 0.00 N flip ATOM 0 H GLN A 54 -0.460 2.930 16.326 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.665 2.127 17.821 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.206 4.431 17.716 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.107 4.440 15.967 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.726 3.462 16.731 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.409 4.944 17.612 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.643 6.411 16.344 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.356 6.658 14.618 1.00 0.00 H new ATOM 482 N HIS A 55 -3.062 1.873 14.567 1.00 0.00 N ATOM 483 CA HIS A 55 -3.886 1.273 13.531 1.00 0.00 C ATOM 484 C HIS A 55 -3.095 1.199 12.224 1.00 0.00 C ATOM 485 O HIS A 55 -2.939 2.203 11.531 1.00 0.00 O ATOM 486 CB HIS A 55 -5.208 2.029 13.382 1.00 0.00 C ATOM 487 CG HIS A 55 -6.282 1.584 14.346 1.00 0.00 C ATOM 488 ND1 HIS A 55 -6.672 0.262 14.475 1.00 0.00 N ATOM 489 CD2 HIS A 55 -7.043 2.298 15.224 1.00 0.00 C ATOM 490 CE1 HIS A 55 -7.626 0.195 15.393 1.00 0.00 C ATOM 491 NE2 HIS A 55 -7.855 1.458 15.855 1.00 0.00 N ATOM 0 H HIS A 55 -2.216 2.331 14.227 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.147 0.254 13.815 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.024 3.094 13.525 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.574 1.903 12.363 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.994 3.366 15.380 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.133 -0.702 15.718 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.538 1.715 16.568 1.00 0.00 H new ATOM 499 N ILE A 56 -2.616 0.000 11.926 1.00 0.00 N ATOM 500 CA ILE A 56 -1.845 -0.218 10.714 1.00 0.00 C ATOM 501 C ILE A 56 -2.661 -1.074 9.743 1.00 0.00 C ATOM 502 O ILE A 56 -2.203 -1.375 8.642 1.00 0.00 O ATOM 503 CB ILE A 56 -0.474 -0.807 11.051 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.561 -2.322 11.247 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.142 -0.106 12.263 1.00 0.00 C ATOM 506 CD1 ILE A 56 -0.696 -3.042 9.904 1.00 0.00 C ATOM 0 H ILE A 56 -2.747 -0.831 12.503 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.645 0.729 10.213 1.00 0.00 H new ATOM 0 HB ILE A 56 0.191 -0.630 10.205 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.329 -2.677 11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.416 -2.562 11.880 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.116 -0.544 12.481 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.262 0.956 12.047 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.512 -0.229 13.126 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.756 -4.117 10.072 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.600 -2.703 9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.172 -2.820 9.283 1.00 0.00 H new ATOM 518 N GLN A 57 -3.854 -1.441 10.186 1.00 0.00 N ATOM 519 CA GLN A 57 -4.738 -2.256 9.370 1.00 0.00 C ATOM 520 C GLN A 57 -5.000 -1.572 8.026 1.00 0.00 C ATOM 521 O GLN A 57 -5.092 -0.347 7.957 1.00 0.00 O ATOM 522 CB GLN A 57 -6.049 -2.546 10.103 1.00 0.00 C ATOM 523 CG GLN A 57 -5.876 -3.691 11.102 1.00 0.00 C ATOM 524 CD GLN A 57 -5.279 -3.186 12.417 1.00 0.00 C ATOM 525 OE1 GLN A 57 -4.356 -2.388 12.444 1.00 0.00 O ATOM 526 NE2 GLN A 57 -5.855 -3.694 13.503 1.00 0.00 N ATOM 0 H GLN A 57 -4.230 -1.189 11.100 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.248 -3.211 9.180 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.384 -1.650 10.626 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.825 -2.802 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.841 -4.160 11.293 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.228 -4.456 10.675 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.624 -4.358 13.409 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.528 -3.420 14.429 1.00 0.00 H new ATOM 535 N LEU A 58 -5.113 -2.393 6.993 1.00 0.00 N ATOM 536 CA LEU A 58 -5.363 -1.882 5.656 1.00 0.00 C ATOM 537 C LEU A 58 -6.341 -2.812 4.934 1.00 0.00 C ATOM 538 O LEU A 58 -6.766 -3.824 5.490 1.00 0.00 O ATOM 539 CB LEU A 58 -4.046 -1.675 4.906 1.00 0.00 C ATOM 540 CG LEU A 58 -3.038 -0.734 5.569 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.818 -1.506 6.075 1.00 0.00 C ATOM 542 CD2 LEU A 58 -2.645 0.403 4.624 1.00 0.00 C ATOM 0 H LEU A 58 -5.036 -3.408 7.054 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.833 -0.900 5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.571 -2.647 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.273 -1.290 3.912 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.515 -0.280 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.117 -0.814 6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.135 -2.249 6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.331 -2.006 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.928 1.057 5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.194 -0.012 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.533 0.976 4.355 1.00 0.00 H new ATOM 554 N GLN A 59 -6.671 -2.435 3.707 1.00 0.00 N ATOM 555 CA GLN A 59 -7.591 -3.223 2.904 1.00 0.00 C ATOM 556 C GLN A 59 -7.575 -2.740 1.453 1.00 0.00 C ATOM 557 O GLN A 59 -7.341 -1.561 1.189 1.00 0.00 O ATOM 558 CB GLN A 59 -9.006 -3.172 3.484 1.00 0.00 C ATOM 559 CG GLN A 59 -9.917 -4.189 2.794 1.00 0.00 C ATOM 560 CD GLN A 59 -9.268 -5.574 2.761 1.00 0.00 C ATOM 561 OE1 GLN A 59 -8.531 -5.921 1.853 1.00 0.00 O ATOM 562 NE2 GLN A 59 -9.582 -6.343 3.800 1.00 0.00 N ATOM 0 H GLN A 59 -6.318 -1.595 3.250 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.263 -4.262 2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.972 -3.376 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.417 -2.170 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.871 -4.243 3.319 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.131 -3.860 1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.206 -5.990 4.526 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.199 -7.286 3.871 1.00 0.00 H new ATOM 571 N LEU A 60 -7.827 -3.675 0.549 1.00 0.00 N ATOM 572 CA LEU A 60 -7.846 -3.359 -0.870 1.00 0.00 C ATOM 573 C LEU A 60 -9.293 -3.331 -1.363 1.00 0.00 C ATOM 574 O LEU A 60 -10.199 -3.789 -0.668 1.00 0.00 O ATOM 575 CB LEU A 60 -6.950 -4.327 -1.645 1.00 0.00 C ATOM 576 CG LEU A 60 -5.456 -4.265 -1.322 1.00 0.00 C ATOM 577 CD1 LEU A 60 -4.920 -5.645 -0.938 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.670 -3.646 -2.480 1.00 0.00 C ATOM 0 H LEU A 60 -8.020 -4.652 0.771 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.431 -2.366 -1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.300 -5.342 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.079 -4.136 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.320 -3.616 -0.457 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.856 -5.572 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.452 -6.011 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.069 -6.337 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.611 -3.614 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.809 -4.249 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.030 -2.634 -2.664 1.00 0.00 H new ATOM 590 N SER A 61 -9.467 -2.789 -2.560 1.00 0.00 N ATOM 591 CA SER A 61 -10.789 -2.696 -3.154 1.00 0.00 C ATOM 592 C SER A 61 -10.691 -2.834 -4.675 1.00 0.00 C ATOM 593 O SER A 61 -11.184 -1.982 -5.413 1.00 0.00 O ATOM 594 CB SER A 61 -11.467 -1.375 -2.785 1.00 0.00 C ATOM 595 OG SER A 61 -12.534 -1.055 -3.674 1.00 0.00 O ATOM 0 H SER A 61 -8.714 -2.410 -3.134 1.00 0.00 H new ATOM 0 HA SER A 61 -11.398 -3.509 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.850 -1.436 -1.766 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.730 -0.573 -2.800 1.00 0.00 H new ATOM 0 HG SER A 61 -12.196 -1.023 -4.593 1.00 0.00 H new ATOM 601 N ALA A 62 -10.050 -3.914 -5.098 1.00 0.00 N ATOM 602 CA ALA A 62 -9.880 -4.175 -6.518 1.00 0.00 C ATOM 603 C ALA A 62 -11.168 -3.806 -7.257 1.00 0.00 C ATOM 604 O ALA A 62 -12.246 -4.286 -6.910 1.00 0.00 O ATOM 605 CB ALA A 62 -9.488 -5.639 -6.724 1.00 0.00 C ATOM 0 H ALA A 62 -9.642 -4.618 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.077 -3.562 -6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.360 -5.835 -7.789 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.552 -5.842 -6.203 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.272 -6.285 -6.327 1.00 0.00 H new ATOM 611 N GLU A 63 -11.013 -2.958 -8.263 1.00 0.00 N ATOM 612 CA GLU A 63 -12.150 -2.520 -9.054 1.00 0.00 C ATOM 613 C GLU A 63 -12.003 -2.993 -10.502 1.00 0.00 C ATOM 614 O GLU A 63 -12.884 -2.759 -11.328 1.00 0.00 O ATOM 615 CB GLU A 63 -12.312 -1.000 -8.988 1.00 0.00 C ATOM 616 CG GLU A 63 -11.207 -0.296 -9.778 1.00 0.00 C ATOM 617 CD GLU A 63 -11.756 0.305 -11.073 1.00 0.00 C ATOM 618 OE1 GLU A 63 -12.760 -0.247 -11.574 1.00 0.00 O ATOM 619 OE2 GLU A 63 -11.161 1.303 -11.533 1.00 0.00 O ATOM 0 H GLU A 63 -10.117 -2.563 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.052 -2.967 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.286 -0.717 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.286 -0.673 -7.949 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.763 0.490 -9.167 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.413 -1.005 -10.010 1.00 0.00 H new ATOM 626 N SER A 64 -10.884 -3.650 -10.765 1.00 0.00 N ATOM 627 CA SER A 64 -10.610 -4.159 -12.099 1.00 0.00 C ATOM 628 C SER A 64 -9.107 -4.383 -12.275 1.00 0.00 C ATOM 629 O SER A 64 -8.304 -3.500 -11.975 1.00 0.00 O ATOM 630 CB SER A 64 -11.133 -3.201 -13.171 1.00 0.00 C ATOM 631 OG SER A 64 -12.389 -3.621 -13.696 1.00 0.00 O ATOM 0 H SER A 64 -10.156 -3.842 -10.077 1.00 0.00 H new ATOM 0 HA SER A 64 -11.129 -5.111 -12.216 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.233 -2.202 -12.747 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.407 -3.132 -13.981 1.00 0.00 H new ATOM 0 HG SER A 64 -13.092 -3.458 -13.033 1.00 0.00 H new ATOM 637 N VAL A 65 -8.771 -5.569 -12.761 1.00 0.00 N ATOM 638 CA VAL A 65 -7.378 -5.921 -12.980 1.00 0.00 C ATOM 639 C VAL A 65 -6.634 -4.710 -13.548 1.00 0.00 C ATOM 640 O VAL A 65 -7.166 -3.990 -14.391 1.00 0.00 O ATOM 641 CB VAL A 65 -7.286 -7.155 -13.880 1.00 0.00 C ATOM 642 CG1 VAL A 65 -7.299 -8.441 -13.051 1.00 0.00 C ATOM 643 CG2 VAL A 65 -8.409 -7.162 -14.919 1.00 0.00 C ATOM 0 H VAL A 65 -9.439 -6.298 -13.009 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.898 -6.185 -12.038 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.337 -7.109 -14.413 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.233 -9.303 -13.715 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.449 -8.443 -12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.225 -8.495 -12.478 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.320 -8.050 -15.545 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.374 -7.171 -14.412 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.335 -6.270 -15.541 1.00 0.00 H new ATOM 653 N GLY A 66 -5.416 -4.524 -13.062 1.00 0.00 N ATOM 654 CA GLY A 66 -4.594 -3.413 -13.510 1.00 0.00 C ATOM 655 C GLY A 66 -5.035 -2.104 -12.852 1.00 0.00 C ATOM 656 O GLY A 66 -4.501 -1.039 -13.160 1.00 0.00 O ATOM 0 H GLY A 66 -4.978 -5.124 -12.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.549 -3.610 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.661 -3.320 -14.594 1.00 0.00 H new ATOM 660 N GLU A 67 -6.004 -2.226 -11.957 1.00 0.00 N ATOM 661 CA GLU A 67 -6.523 -1.066 -11.253 1.00 0.00 C ATOM 662 C GLU A 67 -7.336 -1.505 -10.033 1.00 0.00 C ATOM 663 O GLU A 67 -8.456 -1.994 -10.173 1.00 0.00 O ATOM 664 CB GLU A 67 -7.362 -0.189 -12.185 1.00 0.00 C ATOM 665 CG GLU A 67 -6.947 1.280 -12.077 1.00 0.00 C ATOM 666 CD GLU A 67 -7.621 2.122 -13.162 1.00 0.00 C ATOM 667 OE1 GLU A 67 -7.810 1.573 -14.269 1.00 0.00 O ATOM 668 OE2 GLU A 67 -7.931 3.294 -12.860 1.00 0.00 O ATOM 0 H GLU A 67 -6.443 -3.111 -11.703 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.680 -0.468 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.244 -0.529 -13.214 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.418 -0.292 -11.934 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.215 1.666 -11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.864 1.363 -12.168 1.00 0.00 H new ATOM 675 N VAL A 68 -6.740 -1.314 -8.865 1.00 0.00 N ATOM 676 CA VAL A 68 -7.395 -1.684 -7.622 1.00 0.00 C ATOM 677 C VAL A 68 -7.390 -0.485 -6.672 1.00 0.00 C ATOM 678 O VAL A 68 -6.703 0.505 -6.919 1.00 0.00 O ATOM 679 CB VAL A 68 -6.723 -2.923 -7.026 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.808 -4.109 -7.988 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.271 -2.629 -6.643 1.00 0.00 C ATOM 0 H VAL A 68 -5.811 -0.908 -8.753 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.436 -1.951 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.261 -3.191 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.323 -4.976 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.854 -4.341 -8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.308 -3.856 -8.923 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.817 -3.526 -6.222 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.716 -2.323 -7.530 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.245 -1.828 -5.904 1.00 0.00 H new ATOM 691 N TYR A 69 -8.164 -0.614 -5.604 1.00 0.00 N ATOM 692 CA TYR A 69 -8.258 0.446 -4.615 1.00 0.00 C ATOM 693 C TYR A 69 -7.789 -0.041 -3.243 1.00 0.00 C ATOM 694 O TYR A 69 -7.581 -1.236 -3.042 1.00 0.00 O ATOM 695 CB TYR A 69 -9.740 0.816 -4.533 1.00 0.00 C ATOM 696 CG TYR A 69 -10.163 1.916 -5.509 1.00 0.00 C ATOM 697 CD1 TYR A 69 -9.804 3.227 -5.269 1.00 0.00 C ATOM 698 CD2 TYR A 69 -10.903 1.597 -6.629 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.202 4.262 -6.188 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.300 2.632 -7.548 1.00 0.00 C ATOM 701 CZ TYR A 69 -10.930 3.913 -7.282 1.00 0.00 C ATOM 702 OH TYR A 69 -11.306 4.891 -8.150 1.00 0.00 O ATOM 0 H TYR A 69 -8.732 -1.437 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.631 1.292 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.337 -0.075 -4.725 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.967 1.139 -3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.225 3.477 -4.392 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.184 0.571 -6.816 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.928 5.292 -6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.879 2.396 -8.429 1.00 0.00 H new ATOM 0 HH TYR A 69 -11.820 4.496 -8.885 1.00 0.00 H new ATOM 712 N ILE A 70 -7.636 0.911 -2.334 1.00 0.00 N ATOM 713 CA ILE A 70 -7.195 0.594 -0.986 1.00 0.00 C ATOM 714 C ILE A 70 -7.874 1.541 0.005 1.00 0.00 C ATOM 715 O ILE A 70 -7.846 2.758 -0.175 1.00 0.00 O ATOM 716 CB ILE A 70 -5.667 0.611 -0.904 1.00 0.00 C ATOM 717 CG1 ILE A 70 -5.060 -0.522 -1.734 1.00 0.00 C ATOM 718 CG2 ILE A 70 -5.195 0.572 0.551 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.547 -0.347 -1.878 1.00 0.00 C ATOM 0 H ILE A 70 -7.809 1.902 -2.504 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.495 -0.419 -0.716 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.313 1.549 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.275 -1.480 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.523 -0.543 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.105 0.585 0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.583 1.441 1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.560 -0.338 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.141 -1.166 -2.472 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.336 0.601 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.085 -0.351 -0.891 1.00 0.00 H new ATOM 731 N LYS A 71 -8.470 0.948 1.029 1.00 0.00 N ATOM 732 CA LYS A 71 -9.156 1.724 2.048 1.00 0.00 C ATOM 733 C LYS A 71 -8.794 1.175 3.430 1.00 0.00 C ATOM 734 O LYS A 71 -9.256 0.103 3.816 1.00 0.00 O ATOM 735 CB LYS A 71 -10.660 1.757 1.774 1.00 0.00 C ATOM 736 CG LYS A 71 -11.292 3.033 2.334 1.00 0.00 C ATOM 737 CD LYS A 71 -12.334 2.705 3.405 1.00 0.00 C ATOM 738 CE LYS A 71 -11.672 2.117 4.652 1.00 0.00 C ATOM 739 NZ LYS A 71 -10.902 3.157 5.370 1.00 0.00 N ATOM 0 H LYS A 71 -8.492 -0.061 1.175 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.828 2.763 2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.839 1.699 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.134 0.885 2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.517 3.671 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.760 3.596 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.883 3.608 3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.060 1.997 3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.432 1.699 5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.011 1.298 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.674 2.821 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.021 3.355 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.469 4.027 5.434 1.00 0.00 H new ATOM 753 N SER A 72 -7.971 1.937 4.136 1.00 0.00 N ATOM 754 CA SER A 72 -7.542 1.540 5.467 1.00 0.00 C ATOM 755 C SER A 72 -8.734 1.554 6.427 1.00 0.00 C ATOM 756 O SER A 72 -8.901 2.495 7.201 1.00 0.00 O ATOM 757 CB SER A 72 -6.433 2.458 5.984 1.00 0.00 C ATOM 758 OG SER A 72 -5.747 1.892 7.098 1.00 0.00 O ATOM 0 H SER A 72 -7.590 2.826 3.812 1.00 0.00 H new ATOM 0 HA SER A 72 -7.142 0.528 5.410 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.722 2.654 5.182 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.862 3.418 6.272 1.00 0.00 H new ATOM 0 HG SER A 72 -5.689 0.920 6.987 1.00 0.00 H new ATOM 764 N THR A 73 -9.532 0.500 6.344 1.00 0.00 N ATOM 765 CA THR A 73 -10.703 0.379 7.196 1.00 0.00 C ATOM 766 C THR A 73 -10.321 0.597 8.661 1.00 0.00 C ATOM 767 O THR A 73 -9.975 -0.351 9.365 1.00 0.00 O ATOM 768 CB THR A 73 -11.341 -0.986 6.931 1.00 0.00 C ATOM 769 OG1 THR A 73 -12.043 -1.281 8.136 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.304 -2.106 6.821 1.00 0.00 C ATOM 0 H THR A 73 -9.391 -0.278 5.700 1.00 0.00 H new ATOM 0 HA THR A 73 -11.440 1.149 6.967 1.00 0.00 H new ATOM 0 HB THR A 73 -11.926 -0.941 6.012 1.00 0.00 H new ATOM 0 HG1 THR A 73 -11.405 -1.353 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.810 -3.053 6.633 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.621 -1.890 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 73 -9.742 -2.174 7.752 1.00 0.00 H new ATOM 778 N GLU A 74 -10.397 1.853 9.078 1.00 0.00 N ATOM 779 CA GLU A 74 -10.065 2.208 10.447 1.00 0.00 C ATOM 780 C GLU A 74 -10.453 3.661 10.728 1.00 0.00 C ATOM 781 O GLU A 74 -10.959 3.975 11.805 1.00 0.00 O ATOM 782 CB GLU A 74 -8.579 1.973 10.729 1.00 0.00 C ATOM 783 CG GLU A 74 -8.382 0.806 11.699 1.00 0.00 C ATOM 784 CD GLU A 74 -9.236 0.989 12.956 1.00 0.00 C ATOM 785 OE1 GLU A 74 -9.095 2.058 13.587 1.00 0.00 O ATOM 786 OE2 GLU A 74 -10.009 0.054 13.257 1.00 0.00 O ATOM 0 H GLU A 74 -10.684 2.637 8.492 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.635 1.564 11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.056 1.766 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.137 2.877 11.148 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.648 -0.130 11.207 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.331 0.732 11.977 1.00 0.00 H new ATOM 793 N THR A 75 -10.202 4.508 9.742 1.00 0.00 N ATOM 794 CA THR A 75 -10.519 5.920 9.869 1.00 0.00 C ATOM 795 C THR A 75 -10.661 6.562 8.487 1.00 0.00 C ATOM 796 O THR A 75 -9.950 7.513 8.165 1.00 0.00 O ATOM 797 CB THR A 75 -9.438 6.572 10.734 1.00 0.00 C ATOM 798 OG1 THR A 75 -9.690 7.969 10.612 1.00 0.00 O ATOM 799 CG2 THR A 75 -8.035 6.395 10.149 1.00 0.00 C ATOM 0 H THR A 75 -9.782 4.244 8.851 1.00 0.00 H new ATOM 0 HA THR A 75 -11.481 6.066 10.361 1.00 0.00 H new ATOM 0 HB THR A 75 -9.471 6.146 11.737 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.525 8.252 9.688 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.306 6.876 10.801 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.805 5.332 10.069 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.993 6.851 9.160 1.00 0.00 H new ATOM 807 N GLY A 76 -11.583 6.017 7.709 1.00 0.00 N ATOM 808 CA GLY A 76 -11.827 6.524 6.369 1.00 0.00 C ATOM 809 C GLY A 76 -10.540 7.065 5.745 1.00 0.00 C ATOM 810 O GLY A 76 -10.210 8.238 5.913 1.00 0.00 O ATOM 0 H GLY A 76 -12.171 5.229 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.232 5.729 5.744 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.577 7.314 6.406 1.00 0.00 H new ATOM 814 N GLN A 77 -9.847 6.185 5.037 1.00 0.00 N ATOM 815 CA GLN A 77 -8.603 6.560 4.387 1.00 0.00 C ATOM 816 C GLN A 77 -8.364 5.685 3.155 1.00 0.00 C ATOM 817 O GLN A 77 -8.298 4.461 3.261 1.00 0.00 O ATOM 818 CB GLN A 77 -7.427 6.469 5.361 1.00 0.00 C ATOM 819 CG GLN A 77 -6.985 7.860 5.819 1.00 0.00 C ATOM 820 CD GLN A 77 -7.035 7.977 7.344 1.00 0.00 C ATOM 821 OE1 GLN A 77 -6.611 7.096 8.074 1.00 0.00 O ATOM 822 NE2 GLN A 77 -7.577 9.110 7.782 1.00 0.00 N ATOM 0 H GLN A 77 -10.124 5.213 4.899 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.683 7.597 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.713 5.871 6.226 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.592 5.958 4.882 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.972 8.057 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.630 8.616 5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.912 9.806 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.657 9.283 8.784 1.00 0.00 H new ATOM 831 N TYR A 78 -8.241 6.347 2.014 1.00 0.00 N ATOM 832 CA TYR A 78 -8.010 5.645 0.763 1.00 0.00 C ATOM 833 C TYR A 78 -6.566 5.825 0.291 1.00 0.00 C ATOM 834 O TYR A 78 -6.190 6.900 -0.174 1.00 0.00 O ATOM 835 CB TYR A 78 -8.951 6.286 -0.260 1.00 0.00 C ATOM 836 CG TYR A 78 -10.407 5.832 -0.135 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.837 4.701 -0.798 1.00 0.00 C ATOM 838 CD2 TYR A 78 -11.291 6.554 0.642 1.00 0.00 C ATOM 839 CE1 TYR A 78 -12.207 4.274 -0.680 1.00 0.00 C ATOM 840 CE2 TYR A 78 -12.661 6.127 0.760 1.00 0.00 C ATOM 841 CZ TYR A 78 -13.052 5.008 0.093 1.00 0.00 C ATOM 842 OH TYR A 78 -14.346 4.605 0.204 1.00 0.00 O ATOM 0 H TYR A 78 -8.297 7.362 1.930 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.188 4.577 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.908 7.370 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.593 6.054 -1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.146 4.136 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.955 7.439 1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.556 3.391 -1.194 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.362 6.683 1.365 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.832 5.224 0.788 1.00 0.00 H new ATOM 852 N LEU A 79 -5.795 4.756 0.427 1.00 0.00 N ATOM 853 CA LEU A 79 -4.400 4.783 0.021 1.00 0.00 C ATOM 854 C LEU A 79 -4.290 5.417 -1.367 1.00 0.00 C ATOM 855 O LEU A 79 -5.258 5.433 -2.125 1.00 0.00 O ATOM 856 CB LEU A 79 -3.790 3.382 0.107 1.00 0.00 C ATOM 857 CG LEU A 79 -2.310 3.318 0.488 1.00 0.00 C ATOM 858 CD1 LEU A 79 -2.073 3.930 1.870 1.00 0.00 C ATOM 859 CD2 LEU A 79 -1.783 1.884 0.398 1.00 0.00 C ATOM 0 H LEU A 79 -6.110 3.866 0.813 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.817 5.402 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.358 2.804 0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.918 2.892 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.746 3.914 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.013 3.872 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.388 4.974 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.649 3.381 2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.729 1.866 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.347 1.246 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.898 1.518 -0.622 1.00 0.00 H new ATOM 871 N ALA A 80 -3.101 5.925 -1.658 1.00 0.00 N ATOM 872 CA ALA A 80 -2.851 6.559 -2.941 1.00 0.00 C ATOM 873 C ALA A 80 -1.354 6.839 -3.084 1.00 0.00 C ATOM 874 O ALA A 80 -0.551 6.368 -2.280 1.00 0.00 O ATOM 875 CB ALA A 80 -3.696 7.829 -3.056 1.00 0.00 C ATOM 0 H ALA A 80 -2.300 5.910 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.142 5.899 -3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.509 8.305 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.752 7.572 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.430 8.517 -2.253 1.00 0.00 H new ATOM 881 N MET A 81 -1.024 7.604 -4.114 1.00 0.00 N ATOM 882 CA MET A 81 0.363 7.952 -4.373 1.00 0.00 C ATOM 883 C MET A 81 0.462 9.251 -5.176 1.00 0.00 C ATOM 884 O MET A 81 0.505 9.223 -6.405 1.00 0.00 O ATOM 885 CB MET A 81 1.038 6.819 -5.149 1.00 0.00 C ATOM 886 CG MET A 81 2.230 6.257 -4.372 1.00 0.00 C ATOM 887 SD MET A 81 3.665 6.174 -5.430 1.00 0.00 S ATOM 888 CE MET A 81 4.827 5.403 -4.317 1.00 0.00 C ATOM 0 H MET A 81 -1.693 7.993 -4.779 1.00 0.00 H new ATOM 0 HA MET A 81 0.865 8.099 -3.417 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.317 6.024 -5.340 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.372 7.187 -6.119 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.441 6.887 -3.508 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.991 5.264 -3.991 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.842 5.679 -4.603 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.633 5.739 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 81 4.717 4.320 -4.369 1.00 0.00 H new ATOM 898 N ASP A 82 0.495 10.358 -4.449 1.00 0.00 N ATOM 899 CA ASP A 82 0.587 11.664 -5.078 1.00 0.00 C ATOM 900 C ASP A 82 1.675 11.631 -6.154 1.00 0.00 C ATOM 901 O ASP A 82 2.486 10.707 -6.194 1.00 0.00 O ATOM 902 CB ASP A 82 0.963 12.741 -4.059 1.00 0.00 C ATOM 903 CG ASP A 82 0.150 12.716 -2.763 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.035 13.108 -2.828 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.733 12.305 -1.736 1.00 0.00 O ATOM 0 H ASP A 82 0.460 10.377 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.386 11.900 -5.509 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.019 12.632 -3.810 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.845 13.719 -4.526 1.00 0.00 H new ATOM 910 N THR A 83 1.658 12.652 -6.999 1.00 0.00 N ATOM 911 CA THR A 83 2.633 12.751 -8.072 1.00 0.00 C ATOM 912 C THR A 83 4.054 12.722 -7.505 1.00 0.00 C ATOM 913 O THR A 83 5.013 12.487 -8.238 1.00 0.00 O ATOM 914 CB THR A 83 2.324 14.016 -8.875 1.00 0.00 C ATOM 915 OG1 THR A 83 0.901 14.060 -8.920 1.00 0.00 O ATOM 916 CG2 THR A 83 2.741 13.895 -10.342 1.00 0.00 C ATOM 0 H THR A 83 0.985 13.417 -6.962 1.00 0.00 H new ATOM 0 HA THR A 83 2.569 11.897 -8.746 1.00 0.00 H new ATOM 0 HB THR A 83 2.834 14.867 -8.422 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.614 14.851 -9.421 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.499 14.820 -10.866 1.00 0.00 H new ATOM 0 HG22 THR A 83 3.814 13.714 -10.401 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.207 13.065 -10.805 1.00 0.00 H new ATOM 924 N ASP A 84 4.143 12.964 -6.206 1.00 0.00 N ATOM 925 CA ASP A 84 5.431 12.969 -5.533 1.00 0.00 C ATOM 926 C ASP A 84 5.848 11.528 -5.230 1.00 0.00 C ATOM 927 O ASP A 84 6.881 11.296 -4.602 1.00 0.00 O ATOM 928 CB ASP A 84 5.357 13.728 -4.207 1.00 0.00 C ATOM 929 CG ASP A 84 5.757 15.203 -4.283 1.00 0.00 C ATOM 930 OD1 ASP A 84 6.730 15.490 -5.014 1.00 0.00 O ATOM 931 OD2 ASP A 84 5.082 16.010 -3.609 1.00 0.00 O ATOM 0 H ASP A 84 3.345 13.158 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 84 6.152 13.458 -6.188 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.338 13.663 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 84 6.002 13.229 -3.484 1.00 0.00 H new ATOM 936 N GLY A 85 5.025 10.598 -5.690 1.00 0.00 N ATOM 937 CA GLY A 85 5.295 9.187 -5.475 1.00 0.00 C ATOM 938 C GLY A 85 5.438 8.876 -3.984 1.00 0.00 C ATOM 939 O GLY A 85 6.165 7.960 -3.604 1.00 0.00 O ATOM 0 H GLY A 85 4.170 10.794 -6.211 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.487 8.590 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.208 8.904 -5.998 1.00 0.00 H new ATOM 943 N LEU A 86 4.731 9.656 -3.179 1.00 0.00 N ATOM 944 CA LEU A 86 4.770 9.476 -1.738 1.00 0.00 C ATOM 945 C LEU A 86 3.430 8.911 -1.263 1.00 0.00 C ATOM 946 O LEU A 86 2.420 9.614 -1.266 1.00 0.00 O ATOM 947 CB LEU A 86 5.168 10.781 -1.045 1.00 0.00 C ATOM 948 CG LEU A 86 5.709 10.646 0.379 1.00 0.00 C ATOM 949 CD1 LEU A 86 6.416 11.929 0.821 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.600 10.238 1.351 1.00 0.00 C ATOM 0 H LEU A 86 4.128 10.414 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 86 5.537 8.751 -1.465 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.924 11.277 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.298 11.437 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 86 6.453 9.849 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.791 11.806 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.249 12.135 0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.712 12.761 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.012 10.149 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.815 10.994 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.182 9.279 1.044 1.00 0.00 H new ATOM 962 N LEU A 87 3.464 7.647 -0.866 1.00 0.00 N ATOM 963 CA LEU A 87 2.264 6.980 -0.390 1.00 0.00 C ATOM 964 C LEU A 87 1.452 7.953 0.468 1.00 0.00 C ATOM 965 O LEU A 87 1.943 8.457 1.476 1.00 0.00 O ATOM 966 CB LEU A 87 2.625 5.679 0.331 1.00 0.00 C ATOM 967 CG LEU A 87 2.789 4.444 -0.558 1.00 0.00 C ATOM 968 CD1 LEU A 87 4.251 4.254 -0.967 1.00 0.00 C ATOM 969 CD2 LEU A 87 2.219 3.199 0.124 1.00 0.00 C ATOM 0 H LEU A 87 4.303 7.068 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 87 1.632 6.688 -1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.555 5.835 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.852 5.470 1.071 1.00 0.00 H new ATOM 0 HG LEU A 87 2.216 4.602 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.340 3.370 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.591 5.130 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.865 4.127 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.348 2.335 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.744 3.026 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.158 3.347 0.324 1.00 0.00 H new ATOM 981 N TYR A 88 0.221 8.187 0.035 1.00 0.00 N ATOM 982 CA TYR A 88 -0.664 9.090 0.750 1.00 0.00 C ATOM 983 C TYR A 88 -2.129 8.703 0.538 1.00 0.00 C ATOM 984 O TYR A 88 -2.457 7.994 -0.412 1.00 0.00 O ATOM 985 CB TYR A 88 -0.423 10.477 0.153 1.00 0.00 C ATOM 986 CG TYR A 88 -1.478 10.906 -0.869 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.549 10.275 -2.094 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.358 11.925 -0.566 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.541 10.678 -3.056 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.351 12.329 -1.528 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.393 11.685 -2.726 1.00 0.00 C ATOM 992 OH TYR A 88 -4.331 12.067 -3.634 1.00 0.00 O ATOM 0 H TYR A 88 -0.184 7.767 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.464 9.056 1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.395 11.209 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.557 10.491 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.860 9.478 -2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.302 12.420 0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.607 10.192 -4.018 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.046 13.125 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.889 12.451 -4.420 1.00 0.00 H new ATOM 1002 N GLY A 89 -2.972 9.187 1.439 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.394 8.901 1.362 1.00 0.00 C ATOM 1004 C GLY A 89 -5.199 10.180 1.126 1.00 0.00 C ATOM 1005 O GLY A 89 -4.862 11.237 1.658 1.00 0.00 O ATOM 0 H GLY A 89 -2.697 9.775 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.583 8.194 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.723 8.425 2.286 1.00 0.00 H new ATOM 1009 N SER A 90 -6.247 10.043 0.326 1.00 0.00 N ATOM 1010 CA SER A 90 -7.102 11.175 0.012 1.00 0.00 C ATOM 1011 C SER A 90 -8.547 10.706 -0.167 1.00 0.00 C ATOM 1012 O SER A 90 -8.790 9.543 -0.488 1.00 0.00 O ATOM 1013 CB SER A 90 -6.619 11.898 -1.246 1.00 0.00 C ATOM 1014 OG SER A 90 -6.682 13.315 -1.106 1.00 0.00 O ATOM 0 H SER A 90 -6.523 9.165 -0.114 1.00 0.00 H new ATOM 0 HA SER A 90 -7.056 11.879 0.843 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.593 11.601 -1.463 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.227 11.591 -2.097 1.00 0.00 H new ATOM 0 HG SER A 90 -6.364 13.740 -1.930 1.00 0.00 H new ATOM 1020 N GLN A 91 -9.468 11.633 0.049 1.00 0.00 N ATOM 1021 CA GLN A 91 -10.882 11.329 -0.085 1.00 0.00 C ATOM 1022 C GLN A 91 -11.343 11.568 -1.524 1.00 0.00 C ATOM 1023 O GLN A 91 -12.446 12.063 -1.753 1.00 0.00 O ATOM 1024 CB GLN A 91 -11.716 12.150 0.901 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.044 11.456 1.208 1.00 0.00 C ATOM 1026 CD GLN A 91 -14.153 12.479 1.459 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -14.619 12.668 2.571 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -14.548 13.127 0.367 1.00 0.00 N ATOM 0 H GLN A 91 -9.262 12.596 0.316 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.030 10.276 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.155 12.294 1.825 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.906 13.140 0.486 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.322 10.810 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.930 10.816 2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.116 12.920 -0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.283 13.831 0.430 1.00 0.00 H new ATOM 1037 N THR A 92 -10.476 11.205 -2.458 1.00 0.00 N ATOM 1038 CA THR A 92 -10.780 11.374 -3.868 1.00 0.00 C ATOM 1039 C THR A 92 -10.410 10.110 -4.649 1.00 0.00 C ATOM 1040 O THR A 92 -9.289 9.986 -5.140 1.00 0.00 O ATOM 1041 CB THR A 92 -10.054 12.627 -4.362 1.00 0.00 C ATOM 1042 OG1 THR A 92 -8.695 12.216 -4.484 1.00 0.00 O ATOM 1043 CG2 THR A 92 -10.015 13.734 -3.307 1.00 0.00 C ATOM 0 H THR A 92 -9.562 10.794 -2.265 1.00 0.00 H new ATOM 0 HA THR A 92 -11.849 11.516 -4.027 1.00 0.00 H new ATOM 0 HB THR A 92 -10.544 12.999 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.606 11.602 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 92 -9.489 14.600 -3.708 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.033 14.019 -3.041 1.00 0.00 H new ATOM 0 HG23 THR A 92 -9.495 13.373 -2.420 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.398 9.181 -4.740 1.00 0.00 N ATOM 1052 CA PRO A 93 -11.188 7.932 -5.452 1.00 0.00 C ATOM 1053 C PRO A 93 -11.209 8.154 -6.966 1.00 0.00 C ATOM 1054 O PRO A 93 -12.276 8.286 -7.562 1.00 0.00 O ATOM 1055 CB PRO A 93 -12.299 7.013 -4.971 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.358 7.921 -4.365 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.738 9.295 -4.170 1.00 0.00 C ATOM 0 HA PRO A 93 -10.211 7.492 -5.251 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.709 6.431 -5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.926 6.302 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.227 7.984 -5.020 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.705 7.520 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.319 10.067 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.698 9.565 -3.115 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.017 8.187 -7.543 1.00 0.00 N ATOM 1066 CA ASN A 94 -9.885 8.390 -8.976 1.00 0.00 C ATOM 1067 C ASN A 94 -8.533 7.845 -9.441 1.00 0.00 C ATOM 1068 O ASN A 94 -7.967 6.955 -8.808 1.00 0.00 O ATOM 1069 CB ASN A 94 -9.941 9.878 -9.328 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.031 10.591 -8.525 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -10.718 10.791 -7.248 1.00 0.00 O flip ATOM 1072 ND2 ASN A 94 -12.085 10.937 -9.032 1.00 0.00 N flip ATOM 0 H ASN A 94 -9.134 8.077 -7.045 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.708 7.871 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.975 10.340 -9.126 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.134 9.996 -10.394 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.261 10.752 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.791 11.411 -8.468 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.055 8.401 -10.544 1.00 0.00 N ATOM 1080 CA GLU A 95 -6.780 7.981 -11.102 1.00 0.00 C ATOM 1081 C GLU A 95 -5.632 8.420 -10.191 1.00 0.00 C ATOM 1082 O GLU A 95 -4.754 9.172 -10.612 1.00 0.00 O ATOM 1083 CB GLU A 95 -6.596 8.528 -12.519 1.00 0.00 C ATOM 1084 CG GLU A 95 -6.851 7.439 -13.564 1.00 0.00 C ATOM 1085 CD GLU A 95 -8.265 7.551 -14.138 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -8.678 8.699 -14.410 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -8.900 6.485 -14.291 1.00 0.00 O ATOM 0 H GLU A 95 -8.527 9.139 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.773 6.893 -11.164 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.279 9.361 -12.683 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.585 8.918 -12.634 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.120 7.523 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.715 6.457 -13.112 1.00 0.00 H new ATOM 1094 N GLU A 96 -5.676 7.932 -8.960 1.00 0.00 N ATOM 1095 CA GLU A 96 -4.650 8.264 -7.987 1.00 0.00 C ATOM 1096 C GLU A 96 -4.751 7.340 -6.772 1.00 0.00 C ATOM 1097 O GLU A 96 -3.749 6.786 -6.323 1.00 0.00 O ATOM 1098 CB GLU A 96 -4.746 9.733 -7.568 1.00 0.00 C ATOM 1099 CG GLU A 96 -3.726 10.060 -6.476 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.145 11.462 -6.672 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -3.115 11.906 -7.840 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.744 12.058 -5.648 1.00 0.00 O ATOM 0 H GLU A 96 -6.406 7.309 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.675 8.116 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.575 10.373 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.752 9.947 -7.207 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.201 9.993 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -2.922 9.324 -6.491 1.00 0.00 H new ATOM 1109 N CYS A 97 -5.971 7.202 -6.274 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.217 6.354 -5.120 1.00 0.00 C ATOM 1111 C CYS A 97 -6.113 4.894 -5.565 1.00 0.00 C ATOM 1112 O CYS A 97 -5.856 4.010 -4.750 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.570 6.658 -4.472 1.00 0.00 C ATOM 1114 SG CYS A 97 -7.325 7.613 -2.930 1.00 0.00 S ATOM 0 H CYS A 97 -6.800 7.663 -6.649 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.468 6.553 -4.354 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.195 7.223 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.095 5.728 -4.254 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.575 6.934 -2.114 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.317 4.687 -6.858 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.249 3.350 -7.421 1.00 0.00 C ATOM 1122 C LEU A 98 -4.792 2.881 -7.438 1.00 0.00 C ATOM 1123 O LEU A 98 -3.889 3.640 -7.090 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.923 3.312 -8.794 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.352 2.766 -8.825 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -9.194 3.493 -9.876 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.357 1.251 -9.035 1.00 0.00 C ATOM 0 H LEU A 98 -6.529 5.423 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.803 2.647 -6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.933 4.324 -9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.309 2.707 -9.461 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.811 2.957 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.205 3.086 -9.877 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.231 4.557 -9.640 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.746 3.355 -10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.385 0.890 -9.053 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.872 1.013 -9.982 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.817 0.769 -8.220 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.610 1.634 -7.846 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.279 1.056 -7.913 1.00 0.00 C ATOM 1141 C PHE A 99 -3.217 -0.059 -8.959 1.00 0.00 C ATOM 1142 O PHE A 99 -3.960 -1.036 -8.875 1.00 0.00 O ATOM 1143 CB PHE A 99 -2.979 0.463 -6.534 1.00 0.00 C ATOM 1144 CG PHE A 99 -1.917 1.231 -5.744 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.811 1.707 -6.376 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.080 1.438 -4.410 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.174 2.419 -5.642 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.095 2.150 -3.676 1.00 0.00 C ATOM 1149 CZ PHE A 99 0.011 2.626 -4.308 1.00 0.00 C ATOM 0 H PHE A 99 -5.362 1.008 -8.133 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.555 1.821 -8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.901 0.436 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.650 -0.569 -6.657 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.682 1.544 -7.436 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.959 1.061 -3.909 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.053 2.796 -6.143 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.224 2.313 -2.616 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.760 3.169 -3.750 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.324 0.124 -9.920 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.155 -0.854 -10.981 1.00 0.00 C ATOM 1161 C LEU A 100 -1.692 -2.181 -10.377 1.00 0.00 C ATOM 1162 O LEU A 100 -0.510 -2.354 -10.082 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.221 -0.313 -12.065 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.887 0.099 -13.380 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -1.150 1.277 -14.022 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -2.004 -1.092 -14.332 1.00 0.00 C ATOM 0 H LEU A 100 -1.709 0.935 -9.986 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.106 -1.044 -11.478 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.692 0.551 -11.663 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.471 -1.073 -12.283 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.900 0.435 -13.160 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.643 1.550 -14.955 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.163 2.129 -13.342 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -0.118 0.992 -14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.481 -0.772 -15.258 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.010 -1.482 -14.551 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.605 -1.873 -13.866 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.647 -3.084 -10.210 1.00 0.00 N ATOM 1179 CA GLU A 101 -2.352 -4.390 -9.646 1.00 0.00 C ATOM 1180 C GLU A 101 -1.758 -5.308 -10.716 1.00 0.00 C ATOM 1181 O GLU A 101 -2.224 -5.324 -11.854 1.00 0.00 O ATOM 1182 CB GLU A 101 -3.602 -5.013 -9.021 1.00 0.00 C ATOM 1183 CG GLU A 101 -3.232 -5.944 -7.865 1.00 0.00 C ATOM 1184 CD GLU A 101 -4.247 -7.082 -7.731 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -5.396 -6.872 -8.175 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -3.850 -8.135 -7.188 1.00 0.00 O ATOM 0 H GLU A 101 -3.626 -2.937 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.615 -4.264 -8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.264 -4.225 -8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.153 -5.570 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.237 -6.357 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.191 -5.377 -6.935 1.00 0.00 H new ATOM 1193 N ARG A 102 -0.738 -6.052 -10.312 1.00 0.00 N ATOM 1194 CA ARG A 102 -0.075 -6.970 -11.222 1.00 0.00 C ATOM 1195 C ARG A 102 0.594 -8.102 -10.440 1.00 0.00 C ATOM 1196 O ARG A 102 1.795 -8.054 -10.176 1.00 0.00 O ATOM 1197 CB ARG A 102 0.979 -6.248 -12.063 1.00 0.00 C ATOM 1198 CG ARG A 102 1.168 -4.807 -11.586 1.00 0.00 C ATOM 1199 CD ARG A 102 1.821 -3.950 -12.673 1.00 0.00 C ATOM 1200 NE ARG A 102 3.293 -3.978 -12.522 1.00 0.00 N ATOM 1201 CZ ARG A 102 4.155 -3.749 -13.522 1.00 0.00 C ATOM 1202 NH1 ARG A 102 3.698 -3.474 -14.751 1.00 0.00 N ATOM 1203 NH2 ARG A 102 5.475 -3.795 -13.293 1.00 0.00 N ATOM 0 H ARG A 102 -0.355 -6.037 -9.367 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.834 -7.382 -11.887 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.927 -6.782 -12.002 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.678 -6.252 -13.111 1.00 0.00 H new ATOM 0 HG2 ARG A 102 0.202 -4.381 -11.313 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.786 -4.796 -10.689 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.541 -4.322 -13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 102 1.459 -2.924 -12.605 1.00 0.00 H new ATOM 0 HE ARG A 102 3.675 -4.185 -11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.694 -3.439 -14.926 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.354 -3.300 -15.512 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.823 -4.004 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.131 -3.621 -14.054 1.00 0.00 H new ATOM 1217 N LEU A 103 -0.211 -9.094 -10.090 1.00 0.00 N ATOM 1218 CA LEU A 103 0.288 -10.236 -9.343 1.00 0.00 C ATOM 1219 C LEU A 103 1.757 -10.470 -9.700 1.00 0.00 C ATOM 1220 O LEU A 103 2.062 -11.062 -10.734 1.00 0.00 O ATOM 1221 CB LEU A 103 -0.603 -11.458 -9.574 1.00 0.00 C ATOM 1222 CG LEU A 103 -0.074 -12.786 -9.029 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -0.650 -13.078 -7.641 1.00 0.00 C ATOM 1224 CD2 LEU A 103 -0.341 -13.928 -10.011 1.00 0.00 C ATOM 0 H LEU A 103 -1.206 -9.131 -10.310 1.00 0.00 H new ATOM 0 HA LEU A 103 0.247 -10.038 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.576 -11.264 -9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.766 -11.567 -10.646 1.00 0.00 H new ATOM 0 HG LEU A 103 1.007 -12.702 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.258 -14.028 -7.277 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.366 -12.281 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.737 -13.134 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.045 -14.860 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.414 -14.022 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.156 -13.717 -10.958 1.00 0.00 H new ATOM 1236 N GLU A 104 2.629 -9.993 -8.823 1.00 0.00 N ATOM 1237 CA GLU A 104 4.059 -10.143 -9.032 1.00 0.00 C ATOM 1238 C GLU A 104 4.427 -11.624 -9.141 1.00 0.00 C ATOM 1239 O GLU A 104 5.058 -12.041 -10.111 1.00 0.00 O ATOM 1240 CB GLU A 104 4.851 -9.462 -7.914 1.00 0.00 C ATOM 1241 CG GLU A 104 6.182 -10.176 -7.672 1.00 0.00 C ATOM 1242 CD GLU A 104 6.049 -11.223 -6.564 1.00 0.00 C ATOM 1243 OE1 GLU A 104 4.919 -11.362 -6.048 1.00 0.00 O ATOM 1244 OE2 GLU A 104 7.080 -11.860 -6.259 1.00 0.00 O ATOM 0 H GLU A 104 2.372 -9.502 -7.966 1.00 0.00 H new ATOM 0 HA GLU A 104 4.323 -9.653 -9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.035 -8.420 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.263 -9.460 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.514 -10.656 -8.593 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.945 -9.447 -7.399 1.00 0.00 H new ATOM 1251 N GLU A 105 4.017 -12.379 -8.132 1.00 0.00 N ATOM 1252 CA GLU A 105 4.296 -13.804 -8.101 1.00 0.00 C ATOM 1253 C GLU A 105 3.004 -14.602 -8.286 1.00 0.00 C ATOM 1254 O GLU A 105 2.460 -14.665 -9.388 1.00 0.00 O ATOM 1255 CB GLU A 105 5.003 -14.198 -6.803 1.00 0.00 C ATOM 1256 CG GLU A 105 5.215 -15.711 -6.730 1.00 0.00 C ATOM 1257 CD GLU A 105 6.706 -16.055 -6.711 1.00 0.00 C ATOM 1258 OE1 GLU A 105 7.469 -15.310 -7.363 1.00 0.00 O ATOM 1259 OE2 GLU A 105 7.049 -17.055 -6.044 1.00 0.00 O ATOM 0 H GLU A 105 3.493 -12.030 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 105 4.967 -14.040 -8.927 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.965 -13.689 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.412 -13.869 -5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.735 -16.106 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.738 -16.190 -7.585 1.00 0.00 H new ATOM 1266 N ASN A 106 2.549 -15.192 -7.190 1.00 0.00 N ATOM 1267 CA ASN A 106 1.330 -15.983 -7.217 1.00 0.00 C ATOM 1268 C ASN A 106 0.621 -15.866 -5.867 1.00 0.00 C ATOM 1269 O ASN A 106 0.084 -16.847 -5.356 1.00 0.00 O ATOM 1270 CB ASN A 106 1.639 -17.461 -7.462 1.00 0.00 C ATOM 1271 CG ASN A 106 0.558 -18.111 -8.330 1.00 0.00 C ATOM 1272 OD1 ASN A 106 0.291 -17.698 -9.446 1.00 0.00 O ATOM 1273 ND2 ASN A 106 -0.046 -19.147 -7.756 1.00 0.00 N ATOM 0 H ASN A 106 3.002 -15.138 -6.278 1.00 0.00 H new ATOM 0 HA ASN A 106 0.701 -15.607 -8.024 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.609 -17.557 -7.950 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.708 -17.985 -6.509 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.782 -19.648 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 106 0.227 -19.441 -6.818 1.00 0.00 H new ATOM 1280 N HIS A 107 0.642 -14.656 -5.326 1.00 0.00 N ATOM 1281 CA HIS A 107 0.008 -14.398 -4.045 1.00 0.00 C ATOM 1282 C HIS A 107 -0.142 -12.889 -3.841 1.00 0.00 C ATOM 1283 O HIS A 107 -1.233 -12.343 -3.999 1.00 0.00 O ATOM 1284 CB HIS A 107 0.779 -15.075 -2.910 1.00 0.00 C ATOM 1285 CG HIS A 107 0.547 -16.564 -2.814 1.00 0.00 C ATOM 1286 ND1 HIS A 107 -0.591 -17.301 -2.966 1.00 0.00 N flip ATOM 1287 CD2 HIS A 107 1.559 -17.464 -2.529 1.00 0.00 C flip ATOM 1288 CE1 HIS A 107 -0.290 -18.581 -2.785 1.00 0.00 C flip ATOM 1289 NE2 HIS A 107 1.043 -18.684 -2.513 1.00 0.00 N flip ATOM 0 H HIS A 107 1.088 -13.844 -5.752 1.00 0.00 H new ATOM 0 HA HIS A 107 -0.992 -14.832 -4.037 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.845 -14.892 -3.048 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.496 -14.612 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.594 -17.214 -2.350 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.986 -19.405 -2.843 1.00 0.00 H new ATOM 0 HE2 HIS A 107 1.553 -19.548 -2.330 1.00 0.00 H new ATOM 1297 N TYR A 108 0.970 -12.257 -3.494 1.00 0.00 N ATOM 1298 CA TYR A 108 0.976 -10.822 -3.267 1.00 0.00 C ATOM 1299 C TYR A 108 0.216 -10.089 -4.374 1.00 0.00 C ATOM 1300 O TYR A 108 -0.168 -10.694 -5.374 1.00 0.00 O ATOM 1301 CB TYR A 108 2.445 -10.396 -3.305 1.00 0.00 C ATOM 1302 CG TYR A 108 3.376 -11.296 -2.491 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.401 -11.198 -1.114 1.00 0.00 C ATOM 1304 CD2 TYR A 108 4.189 -12.208 -3.132 1.00 0.00 C ATOM 1305 CE1 TYR A 108 4.277 -12.045 -0.348 1.00 0.00 C ATOM 1306 CE2 TYR A 108 5.065 -13.055 -2.366 1.00 0.00 C ATOM 1307 CZ TYR A 108 5.066 -12.932 -1.011 1.00 0.00 C ATOM 1308 OH TYR A 108 5.893 -13.733 -0.287 1.00 0.00 O ATOM 0 H TYR A 108 1.873 -12.713 -3.365 1.00 0.00 H new ATOM 0 HA TYR A 108 0.495 -10.581 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.782 -10.385 -4.341 1.00 0.00 H new ATOM 0 HB3 TYR A 108 2.526 -9.375 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.763 -10.486 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR A 108 4.168 -12.286 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 108 4.307 -11.978 0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 108 5.707 -13.772 -2.856 1.00 0.00 H new ATOM 0 HH TYR A 108 6.396 -14.317 -0.893 1.00 0.00 H new ATOM 1318 N ASN A 109 0.021 -8.797 -4.158 1.00 0.00 N ATOM 1319 CA ASN A 109 -0.687 -7.974 -5.125 1.00 0.00 C ATOM 1320 C ASN A 109 0.153 -6.737 -5.448 1.00 0.00 C ATOM 1321 O ASN A 109 -0.343 -5.613 -5.391 1.00 0.00 O ATOM 1322 CB ASN A 109 -2.030 -7.501 -4.567 1.00 0.00 C ATOM 1323 CG ASN A 109 -3.103 -8.580 -4.730 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -2.941 -9.548 -5.454 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -4.205 -8.359 -4.018 1.00 0.00 N ATOM 0 H ASN A 109 0.341 -8.299 -3.327 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.859 -8.576 -6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.921 -7.248 -3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.342 -6.592 -5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.980 -9.021 -4.059 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -4.275 -7.527 -3.431 1.00 0.00 H new ATOM 1332 N THR A 110 1.412 -6.986 -5.781 1.00 0.00 N ATOM 1333 CA THR A 110 2.326 -5.907 -6.113 1.00 0.00 C ATOM 1334 C THR A 110 1.678 -4.949 -7.115 1.00 0.00 C ATOM 1335 O THR A 110 1.486 -5.299 -8.278 1.00 0.00 O ATOM 1336 CB THR A 110 3.627 -6.529 -6.621 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.198 -7.532 -7.539 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.367 -7.311 -5.534 1.00 0.00 C ATOM 0 H THR A 110 1.820 -7.920 -5.828 1.00 0.00 H new ATOM 0 HA THR A 110 2.559 -5.302 -5.237 1.00 0.00 H new ATOM 0 HB THR A 110 4.276 -5.744 -7.009 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.545 -7.149 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.283 -7.732 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.615 -6.642 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.731 -8.117 -5.169 1.00 0.00 H new ATOM 1346 N TYR A 111 1.358 -3.760 -6.626 1.00 0.00 N ATOM 1347 CA TYR A 111 0.736 -2.749 -7.464 1.00 0.00 C ATOM 1348 C TYR A 111 1.768 -1.730 -7.952 1.00 0.00 C ATOM 1349 O TYR A 111 2.969 -1.923 -7.773 1.00 0.00 O ATOM 1350 CB TYR A 111 -0.287 -2.037 -6.577 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.964 -2.949 -5.553 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -0.338 -3.226 -4.355 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.201 -3.496 -5.827 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -0.976 -4.085 -3.390 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -2.839 -4.355 -4.863 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.194 -4.607 -3.692 1.00 0.00 C ATOM 1357 OH TYR A 111 -2.796 -5.418 -2.782 1.00 0.00 O ATOM 0 H TYR A 111 1.518 -3.474 -5.660 1.00 0.00 H new ATOM 0 HA TYR A 111 0.281 -3.206 -8.343 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.209 -1.222 -6.050 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -1.052 -1.588 -7.211 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.630 -2.799 -4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.691 -3.280 -6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.497 -4.309 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -3.807 -4.789 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.129 -5.741 -2.140 1.00 0.00 H new ATOM 1367 N ILE A 112 1.261 -0.666 -8.558 1.00 0.00 N ATOM 1368 CA ILE A 112 2.124 0.384 -9.072 1.00 0.00 C ATOM 1369 C ILE A 112 1.320 1.679 -9.204 1.00 0.00 C ATOM 1370 O ILE A 112 0.433 1.780 -10.051 1.00 0.00 O ATOM 1371 CB ILE A 112 2.791 -0.061 -10.375 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.255 -0.438 -10.139 1.00 0.00 C ATOM 1373 CG2 ILE A 112 2.642 1.007 -11.460 1.00 0.00 C ATOM 1374 CD1 ILE A 112 4.829 -1.186 -11.345 1.00 0.00 C ATOM 0 H ILE A 112 0.264 -0.509 -8.704 1.00 0.00 H new ATOM 0 HA ILE A 112 2.939 0.583 -8.376 1.00 0.00 H new ATOM 0 HB ILE A 112 2.281 -0.956 -10.732 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.841 0.462 -9.952 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.335 -1.061 -9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.125 0.665 -12.376 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.584 1.185 -11.652 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.111 1.933 -11.126 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.871 -1.443 -11.152 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.256 -2.098 -11.514 1.00 0.00 H new ATOM 0 HD13 ILE A 112 4.770 -0.551 -12.229 1.00 0.00 H new ATOM 1386 N SER A 113 1.659 2.638 -8.354 1.00 0.00 N ATOM 1387 CA SER A 113 0.980 3.922 -8.365 1.00 0.00 C ATOM 1388 C SER A 113 0.548 4.273 -9.790 1.00 0.00 C ATOM 1389 O SER A 113 1.347 4.774 -10.580 1.00 0.00 O ATOM 1390 CB SER A 113 1.876 5.024 -7.796 1.00 0.00 C ATOM 1391 OG SER A 113 1.645 6.280 -8.428 1.00 0.00 O ATOM 0 H SER A 113 2.395 2.551 -7.653 1.00 0.00 H new ATOM 0 HA SER A 113 0.096 3.847 -7.732 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.698 5.119 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.921 4.742 -7.921 1.00 0.00 H new ATOM 0 HG SER A 113 2.403 6.498 -9.010 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.716 3.997 -10.077 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.264 4.277 -11.393 1.00 0.00 C ATOM 1399 C LYS A 114 -1.116 5.770 -11.695 1.00 0.00 C ATOM 1400 O LYS A 114 -1.196 6.184 -12.850 1.00 0.00 O ATOM 1401 CB LYS A 114 -2.704 3.769 -11.494 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.193 3.791 -12.943 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.720 3.733 -13.007 1.00 0.00 C ATOM 1404 CE LYS A 114 -5.189 2.977 -14.252 1.00 0.00 C ATOM 1405 NZ LYS A 114 -4.194 3.104 -15.340 1.00 0.00 N ATOM 0 H LYS A 114 -1.377 3.582 -9.420 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.707 3.739 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.764 2.754 -11.102 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.356 4.388 -10.877 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.839 4.696 -13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.770 2.946 -13.486 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.107 3.244 -12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.126 4.745 -13.017 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.340 1.925 -14.010 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.151 3.370 -14.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.663 2.962 -16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.768 4.052 -15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.451 2.387 -15.216 1.00 0.00 H new ATOM 1419 N LYS A 115 -0.902 6.537 -10.636 1.00 0.00 N ATOM 1420 CA LYS A 115 -0.742 7.974 -10.773 1.00 0.00 C ATOM 1421 C LYS A 115 0.576 8.270 -11.491 1.00 0.00 C ATOM 1422 O LYS A 115 0.834 9.409 -11.877 1.00 0.00 O ATOM 1423 CB LYS A 115 -0.868 8.660 -9.411 1.00 0.00 C ATOM 1424 CG LYS A 115 -1.617 9.988 -9.532 1.00 0.00 C ATOM 1425 CD LYS A 115 -0.662 11.173 -9.372 1.00 0.00 C ATOM 1426 CE LYS A 115 -0.526 11.949 -10.684 1.00 0.00 C ATOM 1427 NZ LYS A 115 -1.780 12.673 -10.990 1.00 0.00 N ATOM 0 H LYS A 115 -0.836 6.190 -9.679 1.00 0.00 H new ATOM 0 HA LYS A 115 -1.541 8.389 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.394 8.004 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 115 0.124 8.835 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.112 10.043 -10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.397 10.040 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.029 11.837 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 115 0.317 10.815 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.301 12.656 -10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.288 11.263 -11.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.599 13.384 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.497 11.999 -11.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.127 13.145 -10.131 1.00 0.00 H new ATOM 1441 N HIS A 116 1.374 7.225 -11.650 1.00 0.00 N ATOM 1442 CA HIS A 116 2.659 7.358 -12.315 1.00 0.00 C ATOM 1443 C HIS A 116 3.328 5.987 -12.418 1.00 0.00 C ATOM 1444 O HIS A 116 4.327 5.728 -11.749 1.00 0.00 O ATOM 1445 CB HIS A 116 3.533 8.393 -11.605 1.00 0.00 C ATOM 1446 CG HIS A 116 3.078 8.724 -10.203 1.00 0.00 C ATOM 1447 ND1 HIS A 116 3.380 7.932 -9.110 1.00 0.00 N ATOM 1448 CD2 HIS A 116 2.341 9.769 -9.730 1.00 0.00 C ATOM 1449 CE1 HIS A 116 2.844 8.484 -8.032 1.00 0.00 C ATOM 1450 NE2 HIS A 116 2.199 9.623 -8.418 1.00 0.00 N ATOM 0 H HIS A 116 1.156 6.282 -11.330 1.00 0.00 H new ATOM 0 HA HIS A 116 2.511 7.728 -13.330 1.00 0.00 H new ATOM 0 HB2 HIS A 116 4.557 8.023 -11.565 1.00 0.00 H new ATOM 0 HB3 HIS A 116 3.548 9.308 -12.197 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.941 10.578 -10.322 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.906 8.100 -7.024 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.692 10.257 -7.801 1.00 0.00 H new ATOM 1458 N ALA A 117 2.751 5.144 -13.262 1.00 0.00 N ATOM 1459 CA ALA A 117 3.279 3.805 -13.462 1.00 0.00 C ATOM 1460 C ALA A 117 4.229 3.810 -14.661 1.00 0.00 C ATOM 1461 O ALA A 117 4.581 2.753 -15.183 1.00 0.00 O ATOM 1462 CB ALA A 117 2.122 2.820 -13.639 1.00 0.00 C ATOM 0 H ALA A 117 1.923 5.363 -13.815 1.00 0.00 H new ATOM 0 HA ALA A 117 3.849 3.484 -12.590 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.519 1.816 -13.789 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.494 2.833 -12.748 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.528 3.109 -14.506 1.00 0.00 H new ATOM 1468 N GLU A 118 4.617 5.011 -15.063 1.00 0.00 N ATOM 1469 CA GLU A 118 5.520 5.167 -16.191 1.00 0.00 C ATOM 1470 C GLU A 118 6.967 4.945 -15.748 1.00 0.00 C ATOM 1471 O GLU A 118 7.833 4.644 -16.569 1.00 0.00 O ATOM 1472 CB GLU A 118 5.351 6.542 -16.842 1.00 0.00 C ATOM 1473 CG GLU A 118 6.261 6.685 -18.064 1.00 0.00 C ATOM 1474 CD GLU A 118 5.554 7.445 -19.188 1.00 0.00 C ATOM 1475 OE1 GLU A 118 4.569 6.886 -19.719 1.00 0.00 O ATOM 1476 OE2 GLU A 118 6.014 8.567 -19.492 1.00 0.00 O ATOM 0 H GLU A 118 4.323 5.885 -14.628 1.00 0.00 H new ATOM 0 HA GLU A 118 5.270 4.414 -16.938 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.312 6.682 -17.139 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.583 7.323 -16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.174 7.211 -17.783 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.558 5.698 -18.418 1.00 0.00 H new ATOM 1483 N LYS A 119 7.186 5.102 -14.451 1.00 0.00 N ATOM 1484 CA LYS A 119 8.514 4.922 -13.888 1.00 0.00 C ATOM 1485 C LYS A 119 8.544 3.632 -13.067 1.00 0.00 C ATOM 1486 O LYS A 119 9.545 3.328 -12.418 1.00 0.00 O ATOM 1487 CB LYS A 119 8.934 6.164 -13.099 1.00 0.00 C ATOM 1488 CG LYS A 119 10.327 6.636 -13.521 1.00 0.00 C ATOM 1489 CD LYS A 119 11.398 6.105 -12.566 1.00 0.00 C ATOM 1490 CE LYS A 119 12.477 5.332 -13.328 1.00 0.00 C ATOM 1491 NZ LYS A 119 13.651 5.090 -12.460 1.00 0.00 N ATOM 0 H LYS A 119 6.466 5.352 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 119 9.253 4.812 -14.682 1.00 0.00 H new ATOM 0 HB2 LYS A 119 8.211 6.963 -13.260 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.929 5.940 -12.032 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.538 6.297 -14.535 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.357 7.725 -13.537 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.853 6.935 -12.026 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.937 5.455 -11.822 1.00 0.00 H new ATOM 0 HE2 LYS A 119 12.074 4.382 -13.678 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.780 5.894 -14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 14.374 4.565 -12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 14.045 6.000 -12.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.360 4.535 -11.630 1.00 0.00 H new ATOM 1505 N ASN A 120 7.437 2.907 -13.121 1.00 0.00 N ATOM 1506 CA ASN A 120 7.324 1.656 -12.390 1.00 0.00 C ATOM 1507 C ASN A 120 7.349 1.945 -10.887 1.00 0.00 C ATOM 1508 O ASN A 120 7.701 1.077 -10.090 1.00 0.00 O ATOM 1509 CB ASN A 120 8.493 0.723 -12.711 1.00 0.00 C ATOM 1510 CG ASN A 120 8.049 -0.415 -13.631 1.00 0.00 C ATOM 1511 OD1 ASN A 120 7.148 -0.056 -14.541 1.00 0.00 O flip ATOM 1512 ND2 ASN A 120 8.496 -1.546 -13.523 1.00 0.00 N flip ATOM 0 H ASN A 120 6.609 3.162 -13.660 1.00 0.00 H new ATOM 0 HA ASN A 120 6.390 1.177 -12.683 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.294 1.288 -13.187 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.899 0.311 -11.787 1.00 0.00 H new ATOM 0 HD21 ASN A 120 9.186 -1.755 -12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 120 8.179 -2.282 -14.154 1.00 0.00 H new ATOM 1519 N TRP A 121 6.970 3.168 -10.546 1.00 0.00 N ATOM 1520 CA TRP A 121 6.944 3.582 -9.153 1.00 0.00 C ATOM 1521 C TRP A 121 5.966 2.671 -8.408 1.00 0.00 C ATOM 1522 O TRP A 121 4.803 3.026 -8.220 1.00 0.00 O ATOM 1523 CB TRP A 121 6.593 5.066 -9.029 1.00 0.00 C ATOM 1524 CG TRP A 121 7.749 6.009 -9.366 1.00 0.00 C ATOM 1525 CD1 TRP A 121 9.004 5.686 -9.710 1.00 0.00 C ATOM 1526 CD2 TRP A 121 7.707 7.451 -9.379 1.00 0.00 C ATOM 1527 NE1 TRP A 121 9.770 6.811 -9.942 1.00 0.00 N ATOM 1528 CE2 TRP A 121 8.956 7.918 -9.734 1.00 0.00 C ATOM 1529 CE3 TRP A 121 6.647 8.333 -9.099 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 9.263 9.280 -9.843 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 6.971 9.690 -9.212 1.00 0.00 C ATOM 1532 CH2 TRP A 121 8.223 10.176 -9.569 1.00 0.00 C ATOM 0 H TRP A 121 6.679 3.885 -11.210 1.00 0.00 H new ATOM 0 HA TRP A 121 7.930 3.478 -8.700 1.00 0.00 H new ATOM 0 HB2 TRP A 121 5.754 5.287 -9.688 1.00 0.00 H new ATOM 0 HB3 TRP A 121 6.259 5.266 -8.011 1.00 0.00 H new ATOM 0 HD1 TRP A 121 9.370 4.673 -9.795 1.00 0.00 H new ATOM 0 HE1 TRP A 121 10.752 6.827 -10.216 1.00 0.00 H new ATOM 0 HE3 TRP A 121 5.662 7.990 -8.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 10.249 9.621 -10.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 6.193 10.410 -9.007 1.00 0.00 H new ATOM 0 HH2 TRP A 121 8.393 11.241 -9.635 1.00 0.00 H new ATOM 1543 N PHE A 122 6.473 1.516 -8.003 1.00 0.00 N ATOM 1544 CA PHE A 122 5.659 0.553 -7.282 1.00 0.00 C ATOM 1545 C PHE A 122 5.125 1.152 -5.979 1.00 0.00 C ATOM 1546 O PHE A 122 5.285 2.345 -5.729 1.00 0.00 O ATOM 1547 CB PHE A 122 6.562 -0.637 -6.951 1.00 0.00 C ATOM 1548 CG PHE A 122 6.535 -1.750 -8.000 1.00 0.00 C ATOM 1549 CD1 PHE A 122 7.383 -1.704 -9.062 1.00 0.00 C ATOM 1550 CD2 PHE A 122 5.662 -2.785 -7.871 1.00 0.00 C ATOM 1551 CE1 PHE A 122 7.358 -2.737 -10.036 1.00 0.00 C ATOM 1552 CE2 PHE A 122 5.637 -3.818 -8.845 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.486 -3.773 -9.907 1.00 0.00 C ATOM 0 H PHE A 122 7.438 1.225 -8.161 1.00 0.00 H new ATOM 0 HA PHE A 122 4.805 0.258 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.587 -0.282 -6.839 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.261 -1.051 -5.989 1.00 0.00 H new ATOM 0 HD1 PHE A 122 8.076 -0.882 -9.165 1.00 0.00 H new ATOM 0 HD2 PHE A 122 4.988 -2.821 -7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 122 8.032 -2.700 -10.879 1.00 0.00 H new ATOM 0 HE2 PHE A 122 4.944 -4.640 -8.743 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.468 -4.559 -10.647 1.00 0.00 H new ATOM 1563 N VAL A 123 4.503 0.295 -5.183 1.00 0.00 N ATOM 1564 CA VAL A 123 3.945 0.724 -3.912 1.00 0.00 C ATOM 1565 C VAL A 123 4.482 -0.173 -2.795 1.00 0.00 C ATOM 1566 O VAL A 123 4.007 -1.293 -2.612 1.00 0.00 O ATOM 1567 CB VAL A 123 2.417 0.735 -3.988 1.00 0.00 C ATOM 1568 CG1 VAL A 123 1.884 -0.603 -4.506 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.803 1.081 -2.630 1.00 0.00 C ATOM 0 H VAL A 123 4.373 -0.695 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 123 4.253 1.745 -3.685 1.00 0.00 H new ATOM 0 HB VAL A 123 2.122 1.510 -4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.795 -0.568 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.282 -0.792 -5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.195 -1.403 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.716 1.082 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.111 0.340 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.144 2.068 -2.317 1.00 0.00 H new ATOM 1579 N GLY A 124 5.464 0.353 -2.078 1.00 0.00 N ATOM 1580 CA GLY A 124 6.070 -0.387 -0.984 1.00 0.00 C ATOM 1581 C GLY A 124 7.081 0.480 -0.230 1.00 0.00 C ATOM 1582 O GLY A 124 7.877 1.188 -0.844 1.00 0.00 O ATOM 0 H GLY A 124 5.855 1.282 -2.233 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.295 -0.729 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 124 6.566 -1.276 -1.372 1.00 0.00 H new ATOM 1586 N LEU A 125 7.015 0.395 1.091 1.00 0.00 N ATOM 1587 CA LEU A 125 7.914 1.163 1.935 1.00 0.00 C ATOM 1588 C LEU A 125 9.283 0.481 1.968 1.00 0.00 C ATOM 1589 O LEU A 125 9.401 -0.662 2.407 1.00 0.00 O ATOM 1590 CB LEU A 125 7.299 1.374 3.320 1.00 0.00 C ATOM 1591 CG LEU A 125 5.770 1.411 3.377 1.00 0.00 C ATOM 1592 CD1 LEU A 125 5.223 0.224 4.172 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.274 2.748 3.929 1.00 0.00 C ATOM 0 H LEU A 125 6.353 -0.194 1.597 1.00 0.00 H new ATOM 0 HA LEU A 125 8.064 2.161 1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.648 0.576 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.681 2.311 3.726 1.00 0.00 H new ATOM 0 HG LEU A 125 5.388 1.322 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.134 0.274 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.533 -0.706 3.696 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.612 0.258 5.190 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.184 2.748 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.665 2.893 4.936 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.619 3.558 3.286 1.00 0.00 H new ATOM 1605 N LYS A 126 10.284 1.211 1.499 1.00 0.00 N ATOM 1606 CA LYS A 126 11.640 0.691 1.469 1.00 0.00 C ATOM 1607 C LYS A 126 11.787 -0.400 2.532 1.00 0.00 C ATOM 1608 O LYS A 126 11.624 -0.137 3.722 1.00 0.00 O ATOM 1609 CB LYS A 126 12.654 1.828 1.611 1.00 0.00 C ATOM 1610 CG LYS A 126 14.063 1.355 1.248 1.00 0.00 C ATOM 1611 CD LYS A 126 15.028 2.538 1.141 1.00 0.00 C ATOM 1612 CE LYS A 126 16.478 2.079 1.307 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.326 2.644 0.234 1.00 0.00 N ATOM 0 H LYS A 126 10.183 2.159 1.136 1.00 0.00 H new ATOM 0 HA LYS A 126 11.849 0.228 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.368 2.658 0.965 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.645 2.203 2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.422 0.656 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.037 0.816 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 126 14.906 3.026 0.174 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.787 3.278 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.856 2.392 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.526 0.990 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.307 2.323 0.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 16.974 2.324 -0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.294 3.683 0.277 1.00 0.00 H new ATOM 1627 N LYS A 127 12.094 -1.601 2.063 1.00 0.00 N ATOM 1628 CA LYS A 127 12.264 -2.732 2.958 1.00 0.00 C ATOM 1629 C LYS A 127 13.435 -2.457 3.904 1.00 0.00 C ATOM 1630 O LYS A 127 14.420 -3.193 3.909 1.00 0.00 O ATOM 1631 CB LYS A 127 12.410 -4.030 2.161 1.00 0.00 C ATOM 1632 CG LYS A 127 13.489 -3.893 1.084 1.00 0.00 C ATOM 1633 CD LYS A 127 14.870 -4.239 1.644 1.00 0.00 C ATOM 1634 CE LYS A 127 15.723 -4.955 0.596 1.00 0.00 C ATOM 1635 NZ LYS A 127 16.839 -5.681 1.243 1.00 0.00 N ATOM 0 H LYS A 127 12.229 -1.815 1.075 1.00 0.00 H new ATOM 0 HA LYS A 127 11.377 -2.863 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.665 -4.848 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.457 -4.285 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.257 -4.551 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.494 -2.874 0.697 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.374 -3.328 1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.761 -4.873 2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.105 -5.654 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.117 -4.231 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.408 -6.161 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.437 -5.007 1.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 16.457 -6.386 1.906 1.00 0.00 H new ATOM 1649 N ASN A 128 13.288 -1.395 4.682 1.00 0.00 N ATOM 1650 CA ASN A 128 14.321 -1.013 5.630 1.00 0.00 C ATOM 1651 C ASN A 128 13.666 -0.488 6.909 1.00 0.00 C ATOM 1652 O ASN A 128 14.063 -0.859 8.012 1.00 0.00 O ATOM 1653 CB ASN A 128 15.207 0.098 5.062 1.00 0.00 C ATOM 1654 CG ASN A 128 16.639 -0.396 4.850 1.00 0.00 C ATOM 1655 OD1 ASN A 128 17.009 -1.492 5.238 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.421 0.471 4.213 1.00 0.00 N ATOM 0 H ASN A 128 12.469 -0.787 4.675 1.00 0.00 H new ATOM 0 HA ASN A 128 14.932 -1.892 5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 128 14.795 0.448 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.209 0.950 5.742 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.395 0.235 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 128 17.047 1.372 3.915 1.00 0.00 H new ATOM 1663 N GLY A 129 12.671 0.367 6.718 1.00 0.00 N ATOM 1664 CA GLY A 129 11.957 0.946 7.842 1.00 0.00 C ATOM 1665 C GLY A 129 11.649 2.424 7.593 1.00 0.00 C ATOM 1666 O GLY A 129 12.041 3.285 8.380 1.00 0.00 O ATOM 0 H GLY A 129 12.343 0.672 5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.028 0.400 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.553 0.843 8.749 1.00 0.00 H new ATOM 1670 N SER A 130 10.949 2.673 6.496 1.00 0.00 N ATOM 1671 CA SER A 130 10.584 4.032 6.134 1.00 0.00 C ATOM 1672 C SER A 130 10.038 4.064 4.705 1.00 0.00 C ATOM 1673 O SER A 130 10.420 3.244 3.872 1.00 0.00 O ATOM 1674 CB SER A 130 11.779 4.978 6.266 1.00 0.00 C ATOM 1675 OG SER A 130 11.876 5.536 7.574 1.00 0.00 O ATOM 0 H SER A 130 10.625 1.957 5.846 1.00 0.00 H new ATOM 0 HA SER A 130 9.809 4.372 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.697 4.438 6.033 1.00 0.00 H new ATOM 0 HB3 SER A 130 11.688 5.781 5.535 1.00 0.00 H new ATOM 0 HG SER A 130 11.980 4.816 8.230 1.00 0.00 H new ATOM 1681 N CYS A 131 9.152 5.020 4.465 1.00 0.00 N ATOM 1682 CA CYS A 131 8.550 5.169 3.151 1.00 0.00 C ATOM 1683 C CYS A 131 9.385 6.171 2.351 1.00 0.00 C ATOM 1684 O CYS A 131 10.155 6.940 2.924 1.00 0.00 O ATOM 1685 CB CYS A 131 7.083 5.596 3.247 1.00 0.00 C ATOM 1686 SG CYS A 131 6.259 5.366 1.629 1.00 0.00 S ATOM 0 H CYS A 131 8.837 5.699 5.158 1.00 0.00 H new ATOM 0 HA CYS A 131 8.548 4.208 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.574 5.009 4.011 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.019 6.640 3.552 1.00 0.00 H new ATOM 0 HG CYS A 131 6.737 6.220 0.773 1.00 0.00 H new ATOM 1692 N LYS A 132 9.203 6.130 1.039 1.00 0.00 N ATOM 1693 CA LYS A 132 9.930 7.025 0.155 1.00 0.00 C ATOM 1694 C LYS A 132 8.933 7.828 -0.683 1.00 0.00 C ATOM 1695 O LYS A 132 7.724 7.631 -0.572 1.00 0.00 O ATOM 1696 CB LYS A 132 10.946 6.243 -0.681 1.00 0.00 C ATOM 1697 CG LYS A 132 12.362 6.782 -0.467 1.00 0.00 C ATOM 1698 CD LYS A 132 13.347 5.643 -0.199 1.00 0.00 C ATOM 1699 CE LYS A 132 13.805 5.647 1.261 1.00 0.00 C ATOM 1700 NZ LYS A 132 15.281 5.711 1.341 1.00 0.00 N ATOM 0 H LYS A 132 8.563 5.491 0.567 1.00 0.00 H new ATOM 0 HA LYS A 132 10.512 7.743 0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.910 5.188 -0.410 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.683 6.311 -1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 132 12.679 7.342 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.367 7.477 0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.877 4.688 -0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 132 14.211 5.743 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 132 13.369 6.499 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 132 13.446 4.749 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.593 5.379 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.695 5.107 0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 15.594 6.693 1.201 1.00 0.00 H new ATOM 1714 N ARG A 133 9.477 8.716 -1.502 1.00 0.00 N ATOM 1715 CA ARG A 133 8.650 9.550 -2.357 1.00 0.00 C ATOM 1716 C ARG A 133 9.336 9.769 -3.707 1.00 0.00 C ATOM 1717 O ARG A 133 10.496 10.176 -3.760 1.00 0.00 O ATOM 1718 CB ARG A 133 8.376 10.907 -1.706 1.00 0.00 C ATOM 1719 CG ARG A 133 9.683 11.632 -1.380 1.00 0.00 C ATOM 1720 CD ARG A 133 9.484 12.635 -0.241 1.00 0.00 C ATOM 1721 NE ARG A 133 10.460 13.741 -0.365 1.00 0.00 N ATOM 1722 CZ ARG A 133 10.847 14.518 0.656 1.00 0.00 C ATOM 1723 NH1 ARG A 133 10.345 14.315 1.881 1.00 0.00 N ATOM 1724 NH2 ARG A 133 11.738 15.499 0.450 1.00 0.00 N ATOM 0 H ARG A 133 10.480 8.876 -1.592 1.00 0.00 H new ATOM 0 HA ARG A 133 7.701 9.034 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 133 7.773 11.520 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 133 7.797 10.766 -0.794 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.446 10.906 -1.101 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.046 12.151 -2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 133 8.469 13.030 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.608 12.136 0.720 1.00 0.00 H new ATOM 0 HE ARG A 133 10.863 13.923 -1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 133 9.668 13.569 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 133 10.640 14.907 2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.120 15.653 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.033 16.091 1.226 1.00 0.00 H new ATOM 1738 N GLY A 134 8.590 9.491 -4.766 1.00 0.00 N ATOM 1739 CA GLY A 134 9.112 9.652 -6.113 1.00 0.00 C ATOM 1740 C GLY A 134 9.828 8.384 -6.579 1.00 0.00 C ATOM 1741 O GLY A 134 9.342 7.276 -6.361 1.00 0.00 O ATOM 0 H GLY A 134 7.628 9.155 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.296 9.886 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 134 9.803 10.495 -6.141 1.00 0.00 H new ATOM 1745 N PRO A 135 11.004 8.594 -7.230 1.00 0.00 N ATOM 1746 CA PRO A 135 11.793 7.481 -7.729 1.00 0.00 C ATOM 1747 C PRO A 135 12.514 6.764 -6.586 1.00 0.00 C ATOM 1748 O PRO A 135 13.730 6.884 -6.442 1.00 0.00 O ATOM 1749 CB PRO A 135 12.747 8.096 -8.740 1.00 0.00 C ATOM 1750 CG PRO A 135 12.777 9.584 -8.431 1.00 0.00 C ATOM 1751 CD PRO A 135 11.611 9.893 -7.506 1.00 0.00 C ATOM 0 HA PRO A 135 11.182 6.709 -8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.742 7.659 -8.655 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.406 7.915 -9.759 1.00 0.00 H new ATOM 0 HG2 PRO A 135 13.721 9.857 -7.959 1.00 0.00 H new ATOM 0 HG3 PRO A 135 12.700 10.166 -9.349 1.00 0.00 H new ATOM 0 HD2 PRO A 135 11.950 10.375 -6.589 1.00 0.00 H new ATOM 0 HD3 PRO A 135 10.900 10.571 -7.978 1.00 0.00 H new ATOM 1759 N ARG A 136 11.734 6.034 -5.802 1.00 0.00 N ATOM 1760 CA ARG A 136 12.283 5.298 -4.676 1.00 0.00 C ATOM 1761 C ARG A 136 11.381 4.112 -4.327 1.00 0.00 C ATOM 1762 O ARG A 136 11.400 3.625 -3.198 1.00 0.00 O ATOM 1763 CB ARG A 136 12.429 6.198 -3.448 1.00 0.00 C ATOM 1764 CG ARG A 136 13.753 6.963 -3.483 1.00 0.00 C ATOM 1765 CD ARG A 136 13.513 8.471 -3.569 1.00 0.00 C ATOM 1766 NE ARG A 136 14.544 9.101 -4.424 1.00 0.00 N ATOM 1767 CZ ARG A 136 14.841 10.407 -4.405 1.00 0.00 C ATOM 1768 NH1 ARG A 136 14.188 11.231 -3.574 1.00 0.00 N ATOM 1769 NH2 ARG A 136 15.792 10.890 -5.216 1.00 0.00 N ATOM 0 H ARG A 136 10.726 5.937 -5.925 1.00 0.00 H new ATOM 0 HA ARG A 136 13.269 4.936 -4.966 1.00 0.00 H new ATOM 0 HB2 ARG A 136 11.599 6.903 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 136 12.378 5.594 -2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 136 14.333 6.734 -2.589 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.344 6.636 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 136 12.521 8.667 -3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 136 13.539 8.909 -2.571 1.00 0.00 H new ATOM 0 HE ARG A 136 15.061 8.503 -5.068 1.00 0.00 H new ATOM 0 HH11 ARG A 136 13.465 10.864 -2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 136 14.414 12.225 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 136 16.290 10.263 -5.848 1.00 0.00 H new ATOM 0 HH22 ARG A 136 16.018 11.885 -5.201 1.00 0.00 H new ATOM 1783 N THR A 137 10.612 3.682 -5.317 1.00 0.00 N ATOM 1784 CA THR A 137 9.705 2.563 -5.128 1.00 0.00 C ATOM 1785 C THR A 137 9.606 1.735 -6.411 1.00 0.00 C ATOM 1786 O THR A 137 8.806 2.043 -7.293 1.00 0.00 O ATOM 1787 CB THR A 137 8.360 3.119 -4.659 1.00 0.00 C ATOM 1788 OG1 THR A 137 7.525 1.969 -4.558 1.00 0.00 O ATOM 1789 CG2 THR A 137 7.679 3.982 -5.723 1.00 0.00 C ATOM 0 H THR A 137 10.599 4.089 -6.252 1.00 0.00 H new ATOM 0 HA THR A 137 10.074 1.879 -4.364 1.00 0.00 H new ATOM 0 HB THR A 137 8.507 3.709 -3.754 1.00 0.00 H new ATOM 0 HG1 THR A 137 6.587 2.237 -4.652 1.00 0.00 H new ATOM 0 HG21 THR A 137 6.728 4.351 -5.338 1.00 0.00 H new ATOM 0 HG22 THR A 137 8.322 4.826 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.501 3.384 -6.617 1.00 0.00 H new ATOM 1797 N HIS A 138 10.430 0.699 -6.474 1.00 0.00 N ATOM 1798 CA HIS A 138 10.446 -0.176 -7.634 1.00 0.00 C ATOM 1799 C HIS A 138 10.518 -1.634 -7.176 1.00 0.00 C ATOM 1800 O HIS A 138 10.444 -1.917 -5.981 1.00 0.00 O ATOM 1801 CB HIS A 138 11.582 0.204 -8.586 1.00 0.00 C ATOM 1802 CG HIS A 138 11.636 1.675 -8.922 1.00 0.00 C ATOM 1803 ND1 HIS A 138 12.097 2.631 -8.033 1.00 0.00 N ATOM 1804 CD2 HIS A 138 11.283 2.344 -10.057 1.00 0.00 C ATOM 1805 CE1 HIS A 138 12.020 3.817 -8.617 1.00 0.00 C ATOM 1806 NE2 HIS A 138 11.514 3.638 -9.871 1.00 0.00 N ATOM 0 H HIS A 138 11.092 0.446 -5.740 1.00 0.00 H new ATOM 0 HA HIS A 138 9.522 -0.054 -8.199 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.531 -0.091 -8.139 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.474 -0.365 -9.509 1.00 0.00 H new ATOM 0 HD1 HIS A 138 12.438 2.452 -7.088 1.00 0.00 H new ATOM 0 HD2 HIS A 138 10.883 1.897 -10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 138 12.307 4.761 -8.177 1.00 0.00 H new ATOM 1814 N TYR A 139 10.663 -2.520 -8.150 1.00 0.00 N ATOM 1815 CA TYR A 139 10.746 -3.942 -7.862 1.00 0.00 C ATOM 1816 C TYR A 139 11.888 -4.237 -6.888 1.00 0.00 C ATOM 1817 O TYR A 139 12.308 -3.362 -6.133 1.00 0.00 O ATOM 1818 CB TYR A 139 11.042 -4.626 -9.198 1.00 0.00 C ATOM 1819 CG TYR A 139 9.994 -5.661 -9.612 1.00 0.00 C ATOM 1820 CD1 TYR A 139 8.664 -5.458 -9.305 1.00 0.00 C ATOM 1821 CD2 TYR A 139 10.379 -6.798 -10.293 1.00 0.00 C ATOM 1822 CE1 TYR A 139 7.678 -6.432 -9.694 1.00 0.00 C ATOM 1823 CE2 TYR A 139 9.393 -7.772 -10.683 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.091 -7.542 -10.364 1.00 0.00 C ATOM 1825 OH TYR A 139 7.160 -8.462 -10.732 1.00 0.00 O ATOM 0 H TYR A 139 10.725 -2.281 -9.140 1.00 0.00 H new ATOM 0 HA TYR A 139 9.821 -4.297 -7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.114 -3.866 -9.976 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.015 -5.113 -9.137 1.00 0.00 H new ATOM 0 HD1 TYR A 139 8.363 -4.568 -8.773 1.00 0.00 H new ATOM 0 HD2 TYR A 139 11.420 -6.957 -10.533 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.634 -6.285 -9.459 1.00 0.00 H new ATOM 0 HE2 TYR A 139 9.681 -8.665 -11.217 1.00 0.00 H new ATOM 0 HH TYR A 139 7.599 -9.201 -11.203 1.00 0.00 H new ATOM 1891 N ILE A 144 7.105 -3.723 -2.243 1.00 0.00 N ATOM 1892 CA ILE A 144 6.062 -3.766 -3.255 1.00 0.00 C ATOM 1893 C ILE A 144 5.201 -5.013 -3.040 1.00 0.00 C ATOM 1894 O ILE A 144 3.995 -4.988 -3.282 1.00 0.00 O ATOM 1895 CB ILE A 144 6.670 -3.672 -4.655 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.317 -4.998 -5.062 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.652 -2.502 -4.750 1.00 0.00 C ATOM 1898 CD1 ILE A 144 7.592 -5.034 -6.567 1.00 0.00 C ATOM 0 HA ILE A 144 5.403 -2.903 -3.161 1.00 0.00 H new ATOM 0 HB ILE A 144 5.866 -3.475 -5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 144 8.250 -5.135 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.662 -5.825 -4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 144 8.070 -2.458 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.130 -1.570 -4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 144 8.457 -2.643 -4.029 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.052 -5.987 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 144 6.654 -4.921 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 144 8.266 -4.220 -6.833 1.00 0.00 H new ATOM 1910 N LEU A 145 5.854 -6.073 -2.588 1.00 0.00 N ATOM 1911 CA LEU A 145 5.163 -7.327 -2.339 1.00 0.00 C ATOM 1912 C LEU A 145 4.379 -7.220 -1.029 1.00 0.00 C ATOM 1913 O LEU A 145 4.969 -7.133 0.046 1.00 0.00 O ATOM 1914 CB LEU A 145 6.148 -8.497 -2.372 1.00 0.00 C ATOM 1915 CG LEU A 145 6.575 -8.976 -3.761 1.00 0.00 C ATOM 1916 CD1 LEU A 145 7.575 -8.005 -4.392 1.00 0.00 C ATOM 1917 CD2 LEU A 145 7.120 -10.404 -3.705 1.00 0.00 C ATOM 0 H LEU A 145 6.854 -6.090 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 145 4.439 -7.527 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.042 -8.209 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.701 -9.338 -1.841 1.00 0.00 H new ATOM 0 HG LEU A 145 5.694 -8.993 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.862 -8.369 -5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.116 -7.021 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.460 -7.933 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.416 -10.720 -4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 145 7.985 -10.438 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 145 6.348 -11.074 -3.327 1.00 0.00 H new ATOM 1929 N PHE A 146 3.061 -7.230 -1.164 1.00 0.00 N ATOM 1930 CA PHE A 146 2.190 -7.135 -0.005 1.00 0.00 C ATOM 1931 C PHE A 146 1.349 -8.403 0.154 1.00 0.00 C ATOM 1932 O PHE A 146 0.575 -8.755 -0.734 1.00 0.00 O ATOM 1933 CB PHE A 146 1.257 -5.946 -0.243 1.00 0.00 C ATOM 1934 CG PHE A 146 1.885 -4.588 0.078 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.525 -4.398 1.263 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.803 -3.571 -0.822 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.108 -3.138 1.560 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.386 -2.311 -0.524 1.00 0.00 C ATOM 1939 CZ PHE A 146 3.026 -2.121 0.661 1.00 0.00 C ATOM 0 H PHE A 146 2.575 -7.302 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 146 2.786 -7.010 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.939 -5.950 -1.285 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.361 -6.073 0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.590 -5.205 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.295 -3.722 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.617 -2.987 2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.321 -1.504 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.469 -1.163 0.888 1.00 0.00 H new ATOM 1949 N LEU A 147 1.530 -9.056 1.293 1.00 0.00 N ATOM 1950 CA LEU A 147 0.798 -10.278 1.581 1.00 0.00 C ATOM 1951 C LEU A 147 -0.328 -9.972 2.569 1.00 0.00 C ATOM 1952 O LEU A 147 -0.076 -9.740 3.751 1.00 0.00 O ATOM 1953 CB LEU A 147 1.753 -11.375 2.056 1.00 0.00 C ATOM 1954 CG LEU A 147 1.383 -12.805 1.658 1.00 0.00 C ATOM 1955 CD1 LEU A 147 0.404 -13.418 2.661 1.00 0.00 C ATOM 1956 CD2 LEU A 147 0.843 -12.853 0.227 1.00 0.00 C ATOM 0 H LEU A 147 2.173 -8.762 2.028 1.00 0.00 H new ATOM 0 HA LEU A 147 0.331 -10.665 0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.748 -11.157 1.667 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.818 -11.327 3.143 1.00 0.00 H new ATOM 0 HG LEU A 147 2.289 -13.411 1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 147 0.158 -14.435 2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.862 -13.438 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.506 -12.819 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 147 0.587 -13.881 -0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -0.047 -12.228 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 147 1.603 -12.484 -0.461 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.579 -9.981 2.036 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.746 -9.707 2.859 1.00 0.00 C ATOM 1970 C PRO A 148 -3.080 -10.904 3.752 1.00 0.00 C ATOM 1971 O PRO A 148 -3.147 -12.037 3.278 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.853 -9.375 1.872 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.396 -9.925 0.531 1.00 0.00 C ATOM 1974 CD PRO A 148 -1.916 -10.252 0.641 1.00 0.00 C ATOM 0 HA PRO A 148 -2.588 -8.881 3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.797 -9.826 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.017 -8.299 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -3.966 -10.817 0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.568 -9.195 -0.260 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -1.720 -11.292 0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.323 -9.637 -0.036 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.280 -10.611 5.028 1.00 0.00 N ATOM 1983 CA LEU A 149 -3.605 -11.649 5.992 1.00 0.00 C ATOM 1984 C LEU A 149 -4.808 -11.205 6.827 1.00 0.00 C ATOM 1985 O LEU A 149 -4.683 -10.973 8.028 1.00 0.00 O ATOM 1986 CB LEU A 149 -2.375 -12.008 6.828 1.00 0.00 C ATOM 1987 CG LEU A 149 -1.737 -10.859 7.611 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -2.093 -10.943 9.096 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.225 -10.816 7.385 1.00 0.00 C ATOM 0 H LEU A 149 -3.223 -9.670 5.417 1.00 0.00 H new ATOM 0 HA LEU A 149 -3.893 -12.567 5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.656 -12.790 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.621 -12.432 6.165 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.146 -9.921 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.627 -10.115 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -3.175 -10.888 9.214 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.731 -11.887 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 149 0.204 -9.990 7.953 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.219 -11.754 7.717 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.020 -10.673 6.324 1.00 0.00 H new ATOM 2001 N PRO A 150 -5.976 -11.096 6.139 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.200 -10.683 6.804 1.00 0.00 C ATOM 2003 C PRO A 150 -7.769 -11.817 7.659 1.00 0.00 C ATOM 2004 O PRO A 150 -7.333 -12.962 7.547 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.134 -10.259 5.682 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.574 -10.884 4.415 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.162 -11.361 4.716 1.00 0.00 C ATOM 0 HA PRO A 150 -7.042 -9.863 7.504 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.151 -10.602 5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.174 -9.173 5.597 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.198 -11.717 4.092 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.567 -10.158 3.602 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.046 -12.422 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.427 -10.826 4.114 1.00 0.00 H new ATOM 2015 N VAL A 151 -8.734 -11.460 8.493 1.00 0.00 N ATOM 2016 CA VAL A 151 -9.367 -12.434 9.367 1.00 0.00 C ATOM 2017 C VAL A 151 -10.569 -11.787 10.058 1.00 0.00 C ATOM 2018 O VAL A 151 -10.662 -11.793 11.284 1.00 0.00 O ATOM 2019 CB VAL A 151 -8.342 -12.997 10.353 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -7.662 -14.244 9.785 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -7.309 -11.935 10.735 1.00 0.00 C ATOM 0 H VAL A 151 -9.093 -10.510 8.582 1.00 0.00 H new ATOM 0 HA VAL A 151 -9.740 -13.280 8.789 1.00 0.00 H new ATOM 0 HB VAL A 151 -8.873 -13.289 11.259 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -6.938 -14.624 10.506 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -8.412 -15.009 9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -7.150 -13.989 8.857 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -6.592 -12.361 11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -6.785 -11.599 9.840 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -7.813 -11.088 11.200 1.00 0.00 H new