USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -109:sc= 0.139 USER MOD Set 1.2: A 93 ASN : amide:sc= -7.4! C(o=-7.3!,f=-11!) USER MOD Set 2.1: A 90 TYR OH : rot -131:sc= 0.478 USER MOD Set 2.2: A 107 GLN : amide:sc= 0.433 K(o=0.91,f=-0.24) USER MOD Set 3.1: A 28 LYS NZ :NH3+ 168:sc= -4.67! (180deg=-2) USER MOD Set 3.2: A 29 HIS : no HE2:sc= -2.38! C(o=-6.5!,f=-12!) USER MOD Set 3.3: A 32 TYR OH : rot 180:sc= 0.582 USER MOD Set 4.1: A 17 CYS SG : rot 24:sc= 0.969 USER MOD Set 4.2: A 117 MET CE :methyl 144:sc= -0.548 (180deg=-1.05) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.0085) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -90:sc= 1.01 USER MOD Single : A 24 MET CE :methyl -175:sc= 0 (180deg=-0.0213) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00703 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 110:sc= -1.07 USER MOD Single : A 51 HIS : no HD1:sc=-0.00989 X(o=-0.0099,f=-0.078) USER MOD Single : A 55 LYS NZ :NH3+ -168:sc=-0.00263 (180deg=-0.11) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.0122 F(o=-1.2,f=-0.012) USER MOD Single : A 58 MET CE :methyl 163:sc= -0.0427 (180deg=-0.362) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 164:sc= 0.147 (180deg=0.0767) USER MOD Single : A 67 MET CE :methyl -123:sc= -0.0517 (180deg=-0.918) USER MOD Single : A 72 TYR OH : rot 39:sc= -1.45 USER MOD Single : A 76 GLN : amide:sc= -1.35! C(o=-1.4!,f=-4.9!) USER MOD Single : A 85 MET CE :methyl 139:sc= -0.82 (180deg=-1.58) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.2) USER MOD Single : A 91 LYS NZ :NH3+ 139:sc= -1.26 (180deg=-3.86!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-8.3!) USER MOD Single : A 102 MET CE :methyl -131:sc= -1.35 (180deg=-5.68!) USER MOD Single : A 105 LYS NZ :NH3+ -160:sc= 0.0105 (180deg=0) USER MOD Single : A 112 MET CE :methyl -139:sc= 0 (180deg=-0.162) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -3.375 18.474 5.681 1.00 0.00 N ATOM 115 CA SER A 11 -4.363 18.954 4.722 1.00 0.00 C ATOM 116 C SER A 11 -5.759 18.456 5.084 1.00 0.00 C ATOM 117 O SER A 11 -5.929 17.317 5.519 1.00 0.00 O ATOM 118 CB SER A 11 -3.997 18.498 3.309 1.00 0.00 C ATOM 119 OG SER A 11 -4.849 19.092 2.344 1.00 0.00 O ATOM 0 HA SER A 11 -4.365 20.043 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.961 18.762 3.095 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.070 17.412 3.244 1.00 0.00 H new ATOM 0 HG SER A 11 -4.593 18.786 1.449 1.00 0.00 H new ATOM 125 N GLU A 12 -6.755 19.317 4.901 1.00 0.00 N ATOM 126 CA GLU A 12 -8.136 18.965 5.209 1.00 0.00 C ATOM 127 C GLU A 12 -8.449 17.543 4.753 1.00 0.00 C ATOM 128 O GLU A 12 -8.917 16.716 5.537 1.00 0.00 O ATOM 129 CB GLU A 12 -9.098 19.949 4.541 1.00 0.00 C ATOM 130 CG GLU A 12 -10.559 19.553 4.668 1.00 0.00 C ATOM 131 CD GLU A 12 -11.485 20.491 3.917 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.684 21.630 4.389 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.010 20.086 2.859 1.00 0.00 O ATOM 0 H GLU A 12 -6.631 20.263 4.541 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.265 19.019 6.290 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.958 20.936 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.843 20.032 3.484 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.691 18.539 4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.838 19.540 5.722 1.00 0.00 H new ATOM 140 N HIS A 13 -8.187 17.264 3.480 1.00 0.00 N ATOM 141 CA HIS A 13 -8.441 15.942 2.919 1.00 0.00 C ATOM 142 C HIS A 13 -7.677 14.869 3.689 1.00 0.00 C ATOM 143 O HIS A 13 -8.271 13.929 4.219 1.00 0.00 O ATOM 144 CB HIS A 13 -8.043 15.907 1.443 1.00 0.00 C ATOM 145 CG HIS A 13 -9.072 16.501 0.531 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.759 17.086 -0.677 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.417 16.595 0.656 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.866 17.518 -1.255 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.886 17.231 -0.467 1.00 0.00 N ATOM 0 H HIS A 13 -7.799 17.936 2.818 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.508 15.736 3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.103 16.444 1.316 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.862 14.873 1.148 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.010 16.237 1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.926 18.020 -2.209 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.864 17.447 -0.661 1.00 0.00 H new ATOM 157 N LEU A 14 -6.358 15.015 3.747 1.00 0.00 N ATOM 158 CA LEU A 14 -5.512 14.058 4.452 1.00 0.00 C ATOM 159 C LEU A 14 -6.164 13.613 5.757 1.00 0.00 C ATOM 160 O LEU A 14 -6.342 12.419 5.998 1.00 0.00 O ATOM 161 CB LEU A 14 -4.141 14.673 4.738 1.00 0.00 C ATOM 162 CG LEU A 14 -3.112 14.574 3.611 1.00 0.00 C ATOM 163 CD1 LEU A 14 -1.900 15.440 3.916 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.695 13.126 3.396 1.00 0.00 C ATOM 0 H LEU A 14 -5.851 15.787 3.314 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.385 13.184 3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.281 15.726 4.983 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.727 14.192 5.624 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.571 14.940 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.179 15.356 3.103 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.212 16.479 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.439 15.106 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.962 13.074 2.590 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.255 12.734 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.569 12.531 3.130 1.00 0.00 H new ATOM 176 N ARG A 15 -6.521 14.582 6.595 1.00 0.00 N ATOM 177 CA ARG A 15 -7.155 14.290 7.875 1.00 0.00 C ATOM 178 C ARG A 15 -8.092 13.092 7.756 1.00 0.00 C ATOM 179 O ARG A 15 -8.008 12.145 8.539 1.00 0.00 O ATOM 180 CB ARG A 15 -7.930 15.510 8.374 1.00 0.00 C ATOM 181 CG ARG A 15 -7.044 16.696 8.717 1.00 0.00 C ATOM 182 CD ARG A 15 -7.866 17.947 8.984 1.00 0.00 C ATOM 183 NE ARG A 15 -8.573 17.876 10.259 1.00 0.00 N ATOM 184 CZ ARG A 15 -9.527 18.727 10.620 1.00 0.00 C ATOM 185 NH1 ARG A 15 -9.885 19.710 9.805 1.00 0.00 N ATOM 186 NH2 ARG A 15 -10.124 18.597 11.797 1.00 0.00 N ATOM 0 H ARG A 15 -6.382 15.575 6.410 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.372 14.047 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.647 15.812 7.610 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.504 15.229 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.443 16.460 9.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.351 16.883 7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.211 18.818 8.981 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.586 18.086 8.178 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.320 17.132 10.909 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -9.428 19.814 8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.618 20.362 10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.851 17.843 12.427 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.856 19.251 12.072 1.00 0.00 H new ATOM 200 N TYR A 16 -8.985 13.140 6.774 1.00 0.00 N ATOM 201 CA TYR A 16 -9.940 12.061 6.555 1.00 0.00 C ATOM 202 C TYR A 16 -9.233 10.797 6.075 1.00 0.00 C ATOM 203 O TYR A 16 -9.493 9.700 6.573 1.00 0.00 O ATOM 204 CB TYR A 16 -10.997 12.486 5.534 1.00 0.00 C ATOM 205 CG TYR A 16 -11.923 11.366 5.119 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.488 10.357 4.269 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.234 11.316 5.578 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.332 9.332 3.887 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.084 10.294 5.202 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.629 9.305 4.356 1.00 0.00 C ATOM 211 OH TYR A 16 -14.472 8.284 3.979 1.00 0.00 O ATOM 0 H TYR A 16 -9.067 13.915 6.117 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.428 11.844 7.505 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.589 13.299 5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.497 12.880 4.649 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.473 10.374 3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.594 12.089 6.240 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.978 8.556 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.100 10.270 5.569 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.349 8.413 4.397 1.00 0.00 H new ATOM 221 N CYS A 17 -8.339 10.958 5.107 1.00 0.00 N ATOM 222 CA CYS A 17 -7.593 9.831 4.559 1.00 0.00 C ATOM 223 C CYS A 17 -7.009 8.971 5.675 1.00 0.00 C ATOM 224 O CYS A 17 -7.022 7.743 5.597 1.00 0.00 O ATOM 225 CB CYS A 17 -6.474 10.329 3.643 1.00 0.00 C ATOM 226 SG CYS A 17 -7.052 11.301 2.233 1.00 0.00 S ATOM 0 H CYS A 17 -8.113 11.859 4.685 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.283 9.220 3.977 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.782 10.934 4.229 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.913 9.471 3.273 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.209 11.824 2.512 1.00 0.00 H new ATOM 232 N ASP A 18 -6.497 9.625 6.711 1.00 0.00 N ATOM 233 CA ASP A 18 -5.907 8.921 7.844 1.00 0.00 C ATOM 234 C ASP A 18 -6.802 7.771 8.295 1.00 0.00 C ATOM 235 O ASP A 18 -6.316 6.719 8.711 1.00 0.00 O ATOM 236 CB ASP A 18 -5.671 9.887 9.006 1.00 0.00 C ATOM 237 CG ASP A 18 -5.325 9.168 10.295 1.00 0.00 C ATOM 238 OD1 ASP A 18 -6.171 8.394 10.789 1.00 0.00 O ATOM 239 OD2 ASP A 18 -4.207 9.380 10.811 1.00 0.00 O ATOM 0 H ASP A 18 -6.478 10.642 6.790 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.950 8.509 7.525 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.863 10.572 8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.565 10.492 9.159 1.00 0.00 H new ATOM 244 N SER A 19 -8.112 7.980 8.211 1.00 0.00 N ATOM 245 CA SER A 19 -9.076 6.963 8.615 1.00 0.00 C ATOM 246 C SER A 19 -9.051 5.778 7.654 1.00 0.00 C ATOM 247 O SER A 19 -8.979 4.624 8.077 1.00 0.00 O ATOM 248 CB SER A 19 -10.484 7.558 8.672 1.00 0.00 C ATOM 249 OG SER A 19 -10.958 7.872 7.374 1.00 0.00 O ATOM 0 H SER A 19 -8.530 8.844 7.867 1.00 0.00 H new ATOM 0 HA SER A 19 -8.798 6.609 9.608 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.162 6.850 9.149 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.477 8.457 9.288 1.00 0.00 H new ATOM 0 HG SER A 19 -10.709 8.793 7.149 1.00 0.00 H new ATOM 255 N ILE A 20 -9.110 6.073 6.360 1.00 0.00 N ATOM 256 CA ILE A 20 -9.094 5.034 5.338 1.00 0.00 C ATOM 257 C ILE A 20 -8.105 3.928 5.695 1.00 0.00 C ATOM 258 O ILE A 20 -8.282 2.773 5.306 1.00 0.00 O ATOM 259 CB ILE A 20 -8.728 5.608 3.957 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.659 6.768 3.600 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.797 4.520 2.896 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.437 7.314 2.207 1.00 0.00 C ATOM 0 H ILE A 20 -9.169 7.023 5.994 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.101 4.619 5.294 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.706 5.986 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.693 6.435 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.519 7.572 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.536 4.941 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.097 3.723 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.808 4.115 2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.131 8.134 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.414 7.678 2.118 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.606 6.524 1.475 1.00 0.00 H new ATOM 274 N LEU A 21 -7.066 4.290 6.439 1.00 0.00 N ATOM 275 CA LEU A 21 -6.049 3.328 6.851 1.00 0.00 C ATOM 276 C LEU A 21 -6.484 2.580 8.107 1.00 0.00 C ATOM 277 O LEU A 21 -6.458 1.350 8.150 1.00 0.00 O ATOM 278 CB LEU A 21 -4.718 4.039 7.102 1.00 0.00 C ATOM 279 CG LEU A 21 -3.588 3.172 7.658 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.246 2.053 6.685 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.359 4.020 7.950 1.00 0.00 C ATOM 0 H LEU A 21 -6.905 5.242 6.769 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.921 2.605 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.382 4.480 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.893 4.861 7.796 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.926 2.724 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.440 1.446 7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.125 1.429 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.928 2.482 5.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.565 3.386 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.019 4.497 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.611 4.785 8.684 1.00 0.00 H new ATOM 293 N ARG A 22 -6.886 3.331 9.128 1.00 0.00 N ATOM 294 CA ARG A 22 -7.327 2.739 10.385 1.00 0.00 C ATOM 295 C ARG A 22 -8.423 1.705 10.143 1.00 0.00 C ATOM 296 O ARG A 22 -8.588 0.769 10.924 1.00 0.00 O ATOM 297 CB ARG A 22 -7.837 3.826 11.333 1.00 0.00 C ATOM 298 CG ARG A 22 -9.324 4.106 11.196 1.00 0.00 C ATOM 299 CD ARG A 22 -10.144 3.234 12.135 1.00 0.00 C ATOM 300 NE ARG A 22 -10.035 3.673 13.524 1.00 0.00 N ATOM 301 CZ ARG A 22 -10.914 3.352 14.466 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.961 2.593 14.171 1.00 0.00 N ATOM 303 NH2 ARG A 22 -10.747 3.789 15.708 1.00 0.00 N ATOM 0 H ARG A 22 -6.915 4.350 9.109 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.473 2.239 10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.625 3.529 12.360 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.284 4.747 11.147 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.519 5.157 11.410 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.636 3.928 10.167 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.190 3.255 11.829 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.809 2.200 12.054 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.241 4.258 13.784 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.093 2.254 13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.634 2.348 14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.943 4.372 15.940 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.423 3.542 16.431 1.00 0.00 H new ATOM 317 N GLU A 23 -9.169 1.884 9.057 1.00 0.00 N ATOM 318 CA GLU A 23 -10.250 0.967 8.715 1.00 0.00 C ATOM 319 C GLU A 23 -9.709 -0.274 8.011 1.00 0.00 C ATOM 320 O GLU A 23 -10.051 -1.401 8.366 1.00 0.00 O ATOM 321 CB GLU A 23 -11.278 1.666 7.822 1.00 0.00 C ATOM 322 CG GLU A 23 -12.147 0.705 7.027 1.00 0.00 C ATOM 323 CD GLU A 23 -13.193 0.019 7.884 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.818 -0.865 8.682 1.00 0.00 O ATOM 325 OE2 GLU A 23 -14.386 0.366 7.756 1.00 0.00 O ATOM 0 H GLU A 23 -9.045 2.654 8.400 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.735 0.656 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.918 2.294 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.756 2.328 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.642 1.249 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.514 -0.049 6.559 1.00 0.00 H new ATOM 332 N MET A 24 -8.862 -0.056 7.009 1.00 0.00 N ATOM 333 CA MET A 24 -8.272 -1.156 6.255 1.00 0.00 C ATOM 334 C MET A 24 -7.466 -2.072 7.171 1.00 0.00 C ATOM 335 O MET A 24 -7.374 -3.278 6.935 1.00 0.00 O ATOM 336 CB MET A 24 -7.378 -0.616 5.139 1.00 0.00 C ATOM 337 CG MET A 24 -8.147 -0.173 3.904 1.00 0.00 C ATOM 338 SD MET A 24 -7.142 -0.214 2.408 1.00 0.00 S ATOM 339 CE MET A 24 -5.897 1.012 2.802 1.00 0.00 C ATOM 0 H MET A 24 -8.570 0.871 6.701 1.00 0.00 H new ATOM 0 HA MET A 24 -9.082 -1.736 5.812 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.804 0.228 5.521 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.662 -1.386 4.854 1.00 0.00 H new ATOM 0 HG2 MET A 24 -9.016 -0.818 3.771 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.522 0.839 4.058 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.252 1.166 1.937 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.382 1.952 3.065 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.298 0.665 3.644 1.00 0.00 H new ATOM 349 N LEU A 25 -6.882 -1.493 8.214 1.00 0.00 N ATOM 350 CA LEU A 25 -6.082 -2.257 9.165 1.00 0.00 C ATOM 351 C LEU A 25 -6.965 -2.879 10.243 1.00 0.00 C ATOM 352 O LEU A 25 -6.582 -2.946 11.410 1.00 0.00 O ATOM 353 CB LEU A 25 -5.026 -1.359 9.811 1.00 0.00 C ATOM 354 CG LEU A 25 -3.692 -1.252 9.069 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.875 -0.087 9.607 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.911 -2.553 9.186 1.00 0.00 C ATOM 0 H LEU A 25 -6.947 -0.497 8.423 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.584 -3.059 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.443 -0.357 9.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.831 -1.728 10.818 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.898 -1.069 8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.930 -0.026 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.431 0.841 9.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.678 -0.240 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.965 -2.459 8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.715 -2.767 10.237 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.493 -3.367 8.753 1.00 0.00 H new ATOM 368 N SER A 26 -8.148 -3.335 9.842 1.00 0.00 N ATOM 369 CA SER A 26 -9.085 -3.950 10.773 1.00 0.00 C ATOM 370 C SER A 26 -8.996 -5.472 10.708 1.00 0.00 C ATOM 371 O SER A 26 -8.622 -6.041 9.683 1.00 0.00 O ATOM 372 CB SER A 26 -10.514 -3.498 10.465 1.00 0.00 C ATOM 373 OG SER A 26 -11.462 -4.304 11.143 1.00 0.00 O ATOM 0 H SER A 26 -8.479 -3.290 8.878 1.00 0.00 H new ATOM 0 HA SER A 26 -8.820 -3.631 11.781 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.641 -2.456 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.691 -3.549 9.391 1.00 0.00 H new ATOM 0 HG SER A 26 -12.367 -3.993 10.931 1.00 0.00 H new ATOM 379 N LYS A 27 -9.342 -6.126 11.812 1.00 0.00 N ATOM 380 CA LYS A 27 -9.304 -7.582 11.883 1.00 0.00 C ATOM 381 C LYS A 27 -10.078 -8.204 10.725 1.00 0.00 C ATOM 382 O LYS A 27 -9.652 -9.203 10.146 1.00 0.00 O ATOM 383 CB LYS A 27 -9.883 -8.063 13.215 1.00 0.00 C ATOM 384 CG LYS A 27 -9.720 -9.556 13.444 1.00 0.00 C ATOM 385 CD LYS A 27 -8.342 -9.889 13.990 1.00 0.00 C ATOM 386 CE LYS A 27 -7.943 -11.320 13.661 1.00 0.00 C ATOM 387 NZ LYS A 27 -8.688 -12.308 14.489 1.00 0.00 N ATOM 0 H LYS A 27 -9.652 -5.670 12.670 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.263 -7.897 11.811 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.398 -7.524 14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.943 -7.811 13.253 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.482 -9.903 14.141 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.879 -10.088 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.608 -9.200 13.572 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.334 -9.747 15.071 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.131 -11.516 12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.872 -11.445 13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.388 -13.271 14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.489 -12.138 15.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.708 -12.207 14.316 1.00 0.00 H new ATOM 401 N LYS A 28 -11.216 -7.606 10.391 1.00 0.00 N ATOM 402 CA LYS A 28 -12.049 -8.099 9.301 1.00 0.00 C ATOM 403 C LYS A 28 -11.277 -8.101 7.985 1.00 0.00 C ATOM 404 O LYS A 28 -11.165 -9.133 7.322 1.00 0.00 O ATOM 405 CB LYS A 28 -13.308 -7.239 9.164 1.00 0.00 C ATOM 406 CG LYS A 28 -14.484 -7.976 8.548 1.00 0.00 C ATOM 407 CD LYS A 28 -14.450 -7.911 7.030 1.00 0.00 C ATOM 408 CE LYS A 28 -15.147 -6.663 6.510 1.00 0.00 C ATOM 409 NZ LYS A 28 -14.435 -5.420 6.918 1.00 0.00 N ATOM 0 H LYS A 28 -11.583 -6.778 10.860 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.340 -9.123 9.534 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.596 -6.872 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.077 -6.366 8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.470 -9.018 8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.416 -7.543 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.415 -7.921 6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.931 -8.797 6.616 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.207 -6.707 5.423 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.170 -6.635 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -14.814 -4.612 6.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.574 -5.259 7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.419 -5.520 6.719 1.00 0.00 H new ATOM 423 N HIS A 29 -10.746 -6.941 7.613 1.00 0.00 N ATOM 424 CA HIS A 29 -9.983 -6.811 6.377 1.00 0.00 C ATOM 425 C HIS A 29 -8.648 -7.543 6.483 1.00 0.00 C ATOM 426 O HIS A 29 -8.055 -7.921 5.474 1.00 0.00 O ATOM 427 CB HIS A 29 -9.744 -5.336 6.054 1.00 0.00 C ATOM 428 CG HIS A 29 -11.000 -4.578 5.752 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.037 -5.104 5.012 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.383 -3.326 6.097 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.004 -4.209 4.913 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.632 -3.121 5.563 1.00 0.00 N ATOM 0 H HIS A 29 -10.830 -6.078 8.150 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.562 -7.263 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.239 -4.865 6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.071 -5.264 5.199 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.055 -6.039 4.604 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.813 -2.620 6.683 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.939 -4.344 4.390 1.00 0.00 H new ATOM 440 N ALA A 30 -8.182 -7.739 7.712 1.00 0.00 N ATOM 441 CA ALA A 30 -6.919 -8.427 7.950 1.00 0.00 C ATOM 442 C ALA A 30 -6.835 -9.716 7.139 1.00 0.00 C ATOM 443 O ALA A 30 -5.772 -10.073 6.633 1.00 0.00 O ATOM 444 CB ALA A 30 -6.750 -8.722 9.433 1.00 0.00 C ATOM 0 H ALA A 30 -8.660 -7.431 8.559 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.110 -7.772 7.627 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.803 -9.236 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.757 -7.787 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.569 -9.355 9.774 1.00 0.00 H new ATOM 450 N ALA A 31 -7.962 -10.409 7.021 1.00 0.00 N ATOM 451 CA ALA A 31 -8.016 -11.658 6.270 1.00 0.00 C ATOM 452 C ALA A 31 -7.453 -11.478 4.865 1.00 0.00 C ATOM 453 O ALA A 31 -6.625 -12.268 4.411 1.00 0.00 O ATOM 454 CB ALA A 31 -9.445 -12.175 6.207 1.00 0.00 C ATOM 0 H ALA A 31 -8.850 -10.127 7.436 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.399 -12.392 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.470 -13.108 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.813 -12.352 7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.078 -11.437 5.715 1.00 0.00 H new ATOM 460 N TYR A 32 -7.909 -10.435 4.179 1.00 0.00 N ATOM 461 CA TYR A 32 -7.453 -10.154 2.823 1.00 0.00 C ATOM 462 C TYR A 32 -6.723 -8.815 2.761 1.00 0.00 C ATOM 463 O TYR A 32 -6.698 -8.157 1.721 1.00 0.00 O ATOM 464 CB TYR A 32 -8.637 -10.147 1.856 1.00 0.00 C ATOM 465 CG TYR A 32 -9.826 -9.359 2.358 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.887 -7.980 2.200 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.887 -9.993 2.991 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.970 -7.256 2.658 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.976 -9.277 3.451 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.012 -7.909 3.283 1.00 0.00 C ATOM 471 OH TYR A 32 -13.094 -7.191 3.740 1.00 0.00 O ATOM 0 H TYR A 32 -8.594 -9.771 4.540 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.758 -10.941 2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.313 -9.731 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.947 -11.175 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.073 -7.465 1.711 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.861 -11.064 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.001 -6.184 2.528 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.794 -9.786 3.939 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.740 -7.801 4.155 1.00 0.00 H new ATOM 481 N ALA A 33 -6.130 -8.419 3.882 1.00 0.00 N ATOM 482 CA ALA A 33 -5.398 -7.161 3.955 1.00 0.00 C ATOM 483 C ALA A 33 -4.049 -7.350 4.641 1.00 0.00 C ATOM 484 O ALA A 33 -3.307 -6.390 4.848 1.00 0.00 O ATOM 485 CB ALA A 33 -6.222 -6.112 4.688 1.00 0.00 C ATOM 0 H ALA A 33 -6.142 -8.951 4.752 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.214 -6.817 2.937 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.663 -5.178 4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.159 -5.948 4.155 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.435 -6.458 5.699 1.00 0.00 H new ATOM 491 N TRP A 34 -3.738 -8.593 4.990 1.00 0.00 N ATOM 492 CA TRP A 34 -2.477 -8.908 5.653 1.00 0.00 C ATOM 493 C TRP A 34 -1.345 -9.029 4.640 1.00 0.00 C ATOM 494 O TRP A 34 -0.182 -8.750 4.931 1.00 0.00 O ATOM 495 CB TRP A 34 -2.607 -10.207 6.450 1.00 0.00 C ATOM 496 CG TRP A 34 -2.750 -11.422 5.586 1.00 0.00 C ATOM 497 CD1 TRP A 34 -3.898 -12.120 5.336 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.710 -12.084 4.858 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.633 -13.175 4.497 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.299 -13.175 4.189 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.339 -11.861 4.706 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.562 -14.038 3.382 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.391 -12.719 3.905 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.222 -13.796 3.251 1.00 0.00 C ATOM 0 H TRP A 34 -4.341 -9.399 4.825 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.241 -8.093 6.337 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.730 -10.324 7.086 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.472 -10.135 7.110 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -4.870 -11.878 5.739 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.319 -13.849 4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.142 -11.033 5.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.032 -14.869 2.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.452 -12.557 3.781 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.375 -14.448 2.631 1.00 0.00 H new ATOM 515 N PRO A 35 -1.688 -9.457 3.416 1.00 0.00 N ATOM 516 CA PRO A 35 -0.625 -9.586 2.414 1.00 0.00 C ATOM 517 C PRO A 35 0.266 -8.350 2.352 1.00 0.00 C ATOM 518 O PRO A 35 1.401 -8.414 1.879 1.00 0.00 O ATOM 519 CB PRO A 35 -1.394 -9.758 1.102 1.00 0.00 C ATOM 520 CG PRO A 35 -2.704 -10.342 1.504 1.00 0.00 C ATOM 521 CD PRO A 35 -3.006 -9.835 2.881 1.00 0.00 C ATOM 0 HA PRO A 35 0.050 -10.411 2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.526 -8.803 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.862 -10.415 0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.487 -10.049 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.660 -11.431 1.495 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.685 -8.983 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.481 -10.601 3.494 1.00 0.00 H new ATOM 529 N PHE A 36 -0.255 -7.226 2.831 1.00 0.00 N ATOM 530 CA PHE A 36 0.494 -5.974 2.829 1.00 0.00 C ATOM 531 C PHE A 36 0.717 -5.472 4.253 1.00 0.00 C ATOM 532 O PHE A 36 0.574 -4.281 4.532 1.00 0.00 O ATOM 533 CB PHE A 36 -0.246 -4.914 2.012 1.00 0.00 C ATOM 534 CG PHE A 36 -0.888 -5.457 0.767 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.186 -5.943 0.797 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.195 -5.481 -0.432 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.779 -6.444 -0.347 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.783 -5.980 -1.579 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.077 -6.461 -1.536 1.00 0.00 C ATOM 0 H PHE A 36 -1.193 -7.156 3.226 1.00 0.00 H new ATOM 0 HA PHE A 36 1.466 -6.161 2.372 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.013 -4.455 2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.454 -4.125 1.736 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.740 -5.930 1.724 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.817 -5.105 -0.471 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.790 -6.822 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.231 -5.994 -2.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.539 -6.850 -2.431 1.00 0.00 H new ATOM 549 N TYR A 37 1.067 -6.387 5.149 1.00 0.00 N ATOM 550 CA TYR A 37 1.306 -6.039 6.544 1.00 0.00 C ATOM 551 C TYR A 37 2.798 -6.065 6.864 1.00 0.00 C ATOM 552 O TYR A 37 3.348 -5.104 7.402 1.00 0.00 O ATOM 553 CB TYR A 37 0.558 -7.001 7.468 1.00 0.00 C ATOM 554 CG TYR A 37 -0.824 -6.522 7.850 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.649 -5.905 6.917 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.305 -6.685 9.143 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.913 -5.465 7.262 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.568 -6.250 9.496 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.368 -5.640 8.552 1.00 0.00 C ATOM 560 OH TYR A 37 -4.625 -5.204 8.900 1.00 0.00 O ATOM 0 H TYR A 37 1.192 -7.376 4.934 1.00 0.00 H new ATOM 0 HA TYR A 37 0.935 -5.027 6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.475 -7.971 6.978 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.145 -7.151 8.374 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.296 -5.767 5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.681 -7.160 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.541 -4.987 6.525 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.927 -6.387 10.505 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.791 -5.405 9.845 1.00 0.00 H new ATOM 570 N LYS A 38 3.448 -7.175 6.529 1.00 0.00 N ATOM 571 CA LYS A 38 4.877 -7.329 6.777 1.00 0.00 C ATOM 572 C LYS A 38 5.682 -7.059 5.510 1.00 0.00 C ATOM 573 O LYS A 38 5.205 -7.249 4.391 1.00 0.00 O ATOM 574 CB LYS A 38 5.176 -8.738 7.294 1.00 0.00 C ATOM 575 CG LYS A 38 4.873 -9.833 6.285 1.00 0.00 C ATOM 576 CD LYS A 38 5.424 -11.175 6.736 1.00 0.00 C ATOM 577 CE LYS A 38 5.217 -12.247 5.678 1.00 0.00 C ATOM 578 NZ LYS A 38 3.806 -12.722 5.639 1.00 0.00 N ATOM 0 H LYS A 38 3.008 -7.981 6.085 1.00 0.00 H new ATOM 0 HA LYS A 38 5.170 -6.601 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.227 -8.797 7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.592 -8.916 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.795 -9.910 6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.303 -9.568 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.488 -11.078 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.935 -11.477 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.494 -11.851 4.701 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.878 -13.089 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.706 -13.452 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.549 -13.123 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.177 -11.923 5.421 1.00 0.00 H new ATOM 592 N PRO A 39 6.932 -6.607 5.687 1.00 0.00 N ATOM 593 CA PRO A 39 7.830 -6.303 4.569 1.00 0.00 C ATOM 594 C PRO A 39 8.284 -7.559 3.832 1.00 0.00 C ATOM 595 O PRO A 39 8.315 -8.649 4.404 1.00 0.00 O ATOM 596 CB PRO A 39 9.021 -5.620 5.245 1.00 0.00 C ATOM 597 CG PRO A 39 9.011 -6.139 6.642 1.00 0.00 C ATOM 598 CD PRO A 39 7.566 -6.358 6.993 1.00 0.00 C ATOM 0 HA PRO A 39 7.343 -5.689 3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.956 -5.862 4.739 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.919 -4.535 5.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.576 -7.068 6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.475 -5.428 7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.440 -7.204 7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.136 -5.488 7.489 1.00 0.00 H new ATOM 606 N VAL A 40 8.635 -7.400 2.561 1.00 0.00 N ATOM 607 CA VAL A 40 9.089 -8.521 1.746 1.00 0.00 C ATOM 608 C VAL A 40 10.608 -8.528 1.619 1.00 0.00 C ATOM 609 O VAL A 40 11.218 -7.513 1.284 1.00 0.00 O ATOM 610 CB VAL A 40 8.467 -8.479 0.338 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.851 -7.193 -0.378 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.895 -9.696 -0.469 1.00 0.00 C ATOM 0 H VAL A 40 8.614 -6.505 2.072 1.00 0.00 H new ATOM 0 HA VAL A 40 8.765 -9.431 2.251 1.00 0.00 H new ATOM 0 HB VAL A 40 7.382 -8.500 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.402 -7.182 -1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.491 -6.337 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.936 -7.137 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.447 -9.651 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.981 -9.708 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.564 -10.603 0.037 1.00 0.00 H new ATOM 622 N ASP A 41 11.213 -9.680 1.888 1.00 0.00 N ATOM 623 CA ASP A 41 12.662 -9.820 1.803 1.00 0.00 C ATOM 624 C ASP A 41 13.047 -10.852 0.747 1.00 0.00 C ATOM 625 O ASP A 41 12.555 -11.980 0.759 1.00 0.00 O ATOM 626 CB ASP A 41 13.238 -10.224 3.161 1.00 0.00 C ATOM 627 CG ASP A 41 14.655 -9.724 3.361 1.00 0.00 C ATOM 628 OD1 ASP A 41 15.528 -10.070 2.539 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.891 -8.986 4.341 1.00 0.00 O ATOM 0 H ASP A 41 10.723 -10.530 2.167 1.00 0.00 H new ATOM 0 HA ASP A 41 13.079 -8.855 1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.602 -9.831 3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.223 -11.310 3.250 1.00 0.00 H new ATOM 634 N ALA A 42 13.928 -10.456 -0.166 1.00 0.00 N ATOM 635 CA ALA A 42 14.378 -11.347 -1.229 1.00 0.00 C ATOM 636 C ALA A 42 15.450 -12.307 -0.723 1.00 0.00 C ATOM 637 O ALA A 42 15.377 -13.512 -0.961 1.00 0.00 O ATOM 638 CB ALA A 42 14.904 -10.539 -2.407 1.00 0.00 C ATOM 0 H ALA A 42 14.344 -9.525 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 42 13.524 -11.938 -1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.237 -11.217 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.111 -9.898 -2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.742 -9.923 -2.081 1.00 0.00 H new ATOM 751 N TYR A 50 12.971 -10.598 -6.588 1.00 0.00 N ATOM 752 CA TYR A 50 11.748 -9.822 -6.417 1.00 0.00 C ATOM 753 C TYR A 50 11.960 -8.372 -6.841 1.00 0.00 C ATOM 754 O TYR A 50 11.156 -7.805 -7.582 1.00 0.00 O ATOM 755 CB TYR A 50 11.284 -9.877 -4.961 1.00 0.00 C ATOM 756 CG TYR A 50 10.238 -8.840 -4.620 1.00 0.00 C ATOM 757 CD1 TYR A 50 8.919 -8.994 -5.030 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.568 -7.706 -3.887 1.00 0.00 C ATOM 759 CE1 TYR A 50 7.960 -8.049 -4.721 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.615 -6.757 -3.573 1.00 0.00 C ATOM 761 CZ TYR A 50 8.313 -6.933 -3.992 1.00 0.00 C ATOM 762 OH TYR A 50 7.361 -5.988 -3.682 1.00 0.00 O ATOM 0 HA TYR A 50 10.978 -10.259 -7.053 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.882 -10.869 -4.754 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.146 -9.740 -4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.639 -9.868 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.587 -7.565 -3.557 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.940 -8.183 -5.048 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.888 -5.882 -3.002 1.00 0.00 H new ATOM 0 HH TYR A 50 7.172 -6.017 -2.721 1.00 0.00 H new ATOM 772 N HIS A 51 13.049 -7.776 -6.366 1.00 0.00 N ATOM 773 CA HIS A 51 13.369 -6.392 -6.696 1.00 0.00 C ATOM 774 C HIS A 51 13.355 -6.176 -8.206 1.00 0.00 C ATOM 775 O HIS A 51 12.599 -5.350 -8.718 1.00 0.00 O ATOM 776 CB HIS A 51 14.737 -6.013 -6.128 1.00 0.00 C ATOM 777 CG HIS A 51 14.746 -5.862 -4.638 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.821 -5.104 -3.952 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.574 -6.380 -3.700 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.080 -5.159 -2.658 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.140 -5.928 -2.479 1.00 0.00 N ATOM 0 H HIS A 51 13.725 -8.230 -5.751 1.00 0.00 H new ATOM 0 HA HIS A 51 12.608 -5.753 -6.248 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.463 -6.775 -6.412 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.063 -5.077 -6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.419 -7.028 -3.879 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.521 -4.661 -1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.566 -6.150 -1.579 1.00 0.00 H new ATOM 789 N ASP A 52 14.195 -6.923 -8.913 1.00 0.00 N ATOM 790 CA ASP A 52 14.279 -6.814 -10.365 1.00 0.00 C ATOM 791 C ASP A 52 12.911 -6.507 -10.967 1.00 0.00 C ATOM 792 O ASP A 52 12.792 -5.681 -11.873 1.00 0.00 O ATOM 793 CB ASP A 52 14.835 -8.107 -10.964 1.00 0.00 C ATOM 794 CG ASP A 52 16.350 -8.134 -10.977 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.958 -7.783 -9.944 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.929 -8.507 -12.019 1.00 0.00 O ATOM 0 H ASP A 52 14.828 -7.611 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 52 14.954 -5.992 -10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.464 -8.958 -10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.464 -8.221 -11.982 1.00 0.00 H new ATOM 801 N ILE A 53 11.883 -7.176 -10.458 1.00 0.00 N ATOM 802 CA ILE A 53 10.524 -6.975 -10.945 1.00 0.00 C ATOM 803 C ILE A 53 9.892 -5.738 -10.316 1.00 0.00 C ATOM 804 O ILE A 53 9.401 -4.853 -11.018 1.00 0.00 O ATOM 805 CB ILE A 53 9.634 -8.197 -10.653 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.139 -9.419 -11.423 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.187 -7.897 -11.015 1.00 0.00 C ATOM 808 CD1 ILE A 53 11.102 -10.276 -10.632 1.00 0.00 C ATOM 0 H ILE A 53 11.965 -7.862 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 53 10.593 -6.836 -12.024 1.00 0.00 H new ATOM 0 HB ILE A 53 9.683 -8.417 -9.587 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.286 -10.027 -11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.629 -9.085 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.570 -8.770 -10.803 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.833 -7.051 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.120 -7.654 -12.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.418 -11.124 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.973 -9.683 -10.355 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.609 -10.640 -9.731 1.00 0.00 H new ATOM 820 N ILE A 54 9.910 -5.681 -8.988 1.00 0.00 N ATOM 821 CA ILE A 54 9.341 -4.551 -8.265 1.00 0.00 C ATOM 822 C ILE A 54 10.405 -3.502 -7.961 1.00 0.00 C ATOM 823 O ILE A 54 11.010 -3.506 -6.888 1.00 0.00 O ATOM 824 CB ILE A 54 8.687 -5.000 -6.945 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.663 -6.106 -7.208 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.030 -3.816 -6.250 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.546 -5.686 -8.137 1.00 0.00 C ATOM 0 H ILE A 54 10.312 -6.404 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 54 8.578 -4.115 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 54 9.462 -5.397 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.174 -6.969 -7.634 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.234 -6.426 -6.259 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.572 -4.149 -5.319 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.783 -3.058 -6.034 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.264 -3.392 -6.899 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.858 -6.519 -8.278 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.010 -4.842 -7.703 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.964 -5.394 -9.100 1.00 0.00 H new ATOM 839 N LYS A 55 10.629 -2.601 -8.912 1.00 0.00 N ATOM 840 CA LYS A 55 11.617 -1.542 -8.747 1.00 0.00 C ATOM 841 C LYS A 55 11.539 -0.939 -7.348 1.00 0.00 C ATOM 842 O LYS A 55 12.537 -0.884 -6.628 1.00 0.00 O ATOM 843 CB LYS A 55 11.406 -0.450 -9.797 1.00 0.00 C ATOM 844 CG LYS A 55 11.807 -0.870 -11.201 1.00 0.00 C ATOM 845 CD LYS A 55 13.307 -0.748 -11.412 1.00 0.00 C ATOM 846 CE LYS A 55 13.720 -1.257 -12.785 1.00 0.00 C ATOM 847 NZ LYS A 55 13.557 -2.733 -12.901 1.00 0.00 N ATOM 0 H LYS A 55 10.139 -2.584 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 55 12.607 -1.979 -8.881 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.356 -0.159 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.980 0.432 -9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.496 -1.900 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.284 -0.251 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.607 0.294 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.831 -1.312 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.121 -0.764 -13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.760 -0.990 -12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.032 -3.068 -13.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.980 -3.195 -12.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.545 -2.968 -12.950 1.00 0.00 H new ATOM 861 N HIS A 56 10.348 -0.488 -6.968 1.00 0.00 N ATOM 862 CA HIS A 56 10.140 0.110 -5.654 1.00 0.00 C ATOM 863 C HIS A 56 8.888 -0.457 -4.992 1.00 0.00 C ATOM 864 O HIS A 56 7.764 -0.037 -5.270 1.00 0.00 O ATOM 865 CB HIS A 56 10.023 1.630 -5.775 1.00 0.00 C ATOM 866 CG HIS A 56 9.409 2.083 -7.063 1.00 0.00 C ATOM 867 ND1 HIS A 56 8.407 1.552 -7.801 1.00 0.00 N flip ATOM 868 CD2 HIS A 56 9.824 3.212 -7.738 1.00 0.00 C flip ATOM 869 CE1 HIS A 56 8.235 2.362 -8.897 1.00 0.00 C flip ATOM 870 NE2 HIS A 56 9.102 3.356 -8.835 1.00 0.00 N flip ATOM 0 H HIS A 56 9.512 -0.525 -7.551 1.00 0.00 H new ATOM 0 HA HIS A 56 11.001 -0.132 -5.031 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.426 2.007 -4.945 1.00 0.00 H new ATOM 0 HB3 HIS A 56 11.015 2.071 -5.680 1.00 0.00 H new ATOM 0 HD2 HIS A 56 10.615 3.875 -7.420 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.509 2.210 -9.682 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.198 4.107 -9.518 1.00 0.00 H new ATOM 878 N PRO A 57 9.084 -1.435 -4.095 1.00 0.00 N ATOM 879 CA PRO A 57 7.982 -2.081 -3.374 1.00 0.00 C ATOM 880 C PRO A 57 7.327 -1.148 -2.361 1.00 0.00 C ATOM 881 O PRO A 57 7.768 -0.015 -2.170 1.00 0.00 O ATOM 882 CB PRO A 57 8.663 -3.252 -2.661 1.00 0.00 C ATOM 883 CG PRO A 57 10.083 -2.829 -2.509 1.00 0.00 C ATOM 884 CD PRO A 57 10.395 -1.985 -3.714 1.00 0.00 C ATOM 0 HA PRO A 57 7.177 -2.383 -4.044 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.202 -3.448 -1.693 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.584 -4.170 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.225 -2.263 -1.589 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.744 -3.694 -2.456 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.108 -1.196 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.831 -2.578 -4.518 1.00 0.00 H new ATOM 892 N MET A 58 6.272 -1.632 -1.714 1.00 0.00 N ATOM 893 CA MET A 58 5.557 -0.842 -0.719 1.00 0.00 C ATOM 894 C MET A 58 4.585 -1.713 0.072 1.00 0.00 C ATOM 895 O MET A 58 4.238 -2.815 -0.354 1.00 0.00 O ATOM 896 CB MET A 58 4.801 0.304 -1.394 1.00 0.00 C ATOM 897 CG MET A 58 4.021 1.173 -0.421 1.00 0.00 C ATOM 898 SD MET A 58 5.082 1.986 0.789 1.00 0.00 S ATOM 899 CE MET A 58 5.989 3.117 -0.262 1.00 0.00 C ATOM 0 H MET A 58 5.893 -2.568 -1.861 1.00 0.00 H new ATOM 0 HA MET A 58 6.289 -0.426 -0.027 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.512 0.928 -1.936 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.113 -0.110 -2.131 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.467 1.928 -0.978 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.287 0.559 0.100 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.456 3.888 0.351 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.759 2.570 -0.806 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.305 3.582 -0.972 1.00 0.00 H new ATOM 909 N ASP A 59 4.151 -1.211 1.222 1.00 0.00 N ATOM 910 CA ASP A 59 3.218 -1.943 2.072 1.00 0.00 C ATOM 911 C ASP A 59 2.535 -1.006 3.062 1.00 0.00 C ATOM 912 O ASP A 59 2.981 0.122 3.275 1.00 0.00 O ATOM 913 CB ASP A 59 3.947 -3.058 2.824 1.00 0.00 C ATOM 914 CG ASP A 59 4.978 -3.760 1.962 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.030 -3.149 1.680 1.00 0.00 O ATOM 916 OD2 ASP A 59 4.732 -4.920 1.570 1.00 0.00 O ATOM 0 H ASP A 59 4.430 -0.301 1.588 1.00 0.00 H new ATOM 0 HA ASP A 59 2.454 -2.386 1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.437 -2.639 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.220 -3.787 3.182 1.00 0.00 H new ATOM 921 N LEU A 60 1.449 -1.480 3.664 1.00 0.00 N ATOM 922 CA LEU A 60 0.703 -0.684 4.632 1.00 0.00 C ATOM 923 C LEU A 60 1.622 -0.160 5.731 1.00 0.00 C ATOM 924 O LEU A 60 1.642 1.036 6.020 1.00 0.00 O ATOM 925 CB LEU A 60 -0.423 -1.517 5.247 1.00 0.00 C ATOM 926 CG LEU A 60 -1.587 -1.862 4.318 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.493 -2.901 4.960 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.376 -0.610 3.964 1.00 0.00 C ATOM 0 H LEU A 60 1.066 -2.411 3.499 1.00 0.00 H new ATOM 0 HA LEU A 60 0.271 0.169 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.004 -2.447 5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.819 -0.977 6.107 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.180 -2.283 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.316 -3.134 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.922 -3.807 5.162 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.892 -2.508 5.895 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.201 -0.875 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.772 -0.160 4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.722 0.102 3.462 1.00 0.00 H new ATOM 940 N SER A 61 2.383 -1.064 6.340 1.00 0.00 N ATOM 941 CA SER A 61 3.303 -0.694 7.409 1.00 0.00 C ATOM 942 C SER A 61 3.938 0.665 7.132 1.00 0.00 C ATOM 943 O SER A 61 3.927 1.554 7.984 1.00 0.00 O ATOM 944 CB SER A 61 4.393 -1.757 7.563 1.00 0.00 C ATOM 945 OG SER A 61 5.272 -1.435 8.627 1.00 0.00 O ATOM 0 H SER A 61 2.380 -2.058 6.111 1.00 0.00 H new ATOM 0 HA SER A 61 2.736 -0.628 8.337 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.935 -2.729 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.957 -1.842 6.634 1.00 0.00 H new ATOM 0 HG SER A 61 5.958 -2.130 8.706 1.00 0.00 H new ATOM 951 N THR A 62 4.492 0.820 5.933 1.00 0.00 N ATOM 952 CA THR A 62 5.133 2.069 5.543 1.00 0.00 C ATOM 953 C THR A 62 4.144 3.228 5.575 1.00 0.00 C ATOM 954 O THR A 62 4.322 4.188 6.325 1.00 0.00 O ATOM 955 CB THR A 62 5.745 1.970 4.132 1.00 0.00 C ATOM 956 OG1 THR A 62 6.596 0.821 4.047 1.00 0.00 O ATOM 957 CG2 THR A 62 6.540 3.223 3.798 1.00 0.00 C ATOM 0 H THR A 62 4.509 0.095 5.215 1.00 0.00 H new ATOM 0 HA THR A 62 5.929 2.254 6.264 1.00 0.00 H new ATOM 0 HB THR A 62 4.932 1.873 3.413 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.980 0.764 3.147 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.962 3.130 2.797 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.883 4.092 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.346 3.347 4.522 1.00 0.00 H new ATOM 965 N VAL A 63 3.100 3.132 4.758 1.00 0.00 N ATOM 966 CA VAL A 63 2.081 4.173 4.694 1.00 0.00 C ATOM 967 C VAL A 63 1.656 4.611 6.091 1.00 0.00 C ATOM 968 O VAL A 63 1.601 5.804 6.390 1.00 0.00 O ATOM 969 CB VAL A 63 0.839 3.696 3.918 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.286 4.712 4.033 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.190 3.439 2.460 1.00 0.00 C ATOM 0 H VAL A 63 2.938 2.344 4.131 1.00 0.00 H new ATOM 0 HA VAL A 63 2.525 5.019 4.169 1.00 0.00 H new ATOM 0 HB VAL A 63 0.495 2.759 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.155 4.357 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.553 4.842 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.042 5.666 3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.301 3.103 1.926 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.559 4.359 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.961 2.671 2.401 1.00 0.00 H new ATOM 981 N LYS A 64 1.355 3.638 6.945 1.00 0.00 N ATOM 982 CA LYS A 64 0.936 3.922 8.312 1.00 0.00 C ATOM 983 C LYS A 64 1.973 4.777 9.033 1.00 0.00 C ATOM 984 O LYS A 64 1.629 5.743 9.715 1.00 0.00 O ATOM 985 CB LYS A 64 0.713 2.617 9.080 1.00 0.00 C ATOM 986 CG LYS A 64 0.324 2.826 10.533 1.00 0.00 C ATOM 987 CD LYS A 64 0.373 1.524 11.316 1.00 0.00 C ATOM 988 CE LYS A 64 -0.337 1.651 12.655 1.00 0.00 C ATOM 989 NZ LYS A 64 0.538 2.268 13.690 1.00 0.00 N ATOM 0 H LYS A 64 1.394 2.645 6.714 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.001 4.477 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.068 2.041 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.624 2.020 9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.997 3.552 10.990 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.681 3.245 10.585 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.090 0.729 10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.411 1.236 11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.237 2.254 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.658 0.665 12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.018 2.337 14.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.385 1.679 13.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.823 3.219 13.381 1.00 0.00 H new ATOM 1003 N ARG A 65 3.242 4.418 8.875 1.00 0.00 N ATOM 1004 CA ARG A 65 4.329 5.153 9.511 1.00 0.00 C ATOM 1005 C ARG A 65 4.282 6.630 9.130 1.00 0.00 C ATOM 1006 O ARG A 65 4.297 7.506 9.995 1.00 0.00 O ATOM 1007 CB ARG A 65 5.680 4.555 9.113 1.00 0.00 C ATOM 1008 CG ARG A 65 6.152 3.447 10.039 1.00 0.00 C ATOM 1009 CD ARG A 65 7.659 3.262 9.963 1.00 0.00 C ATOM 1010 NE ARG A 65 8.082 2.741 8.666 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.024 1.456 8.335 1.00 0.00 C ATOM 1012 NH1 ARG A 65 7.562 0.565 9.202 1.00 0.00 N ATOM 1013 NH2 ARG A 65 8.427 1.060 7.134 1.00 0.00 N ATOM 0 H ARG A 65 3.543 3.623 8.312 1.00 0.00 H new ATOM 0 HA ARG A 65 4.207 5.070 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.610 4.163 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.428 5.348 9.098 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.864 3.681 11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.656 2.513 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.151 4.217 10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.981 2.580 10.750 1.00 0.00 H new ATOM 0 HE ARG A 65 8.442 3.400 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.250 0.866 10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.518 -0.421 8.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.782 1.743 6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.382 0.073 6.881 1.00 0.00 H new ATOM 1027 N LYS A 66 4.227 6.899 7.830 1.00 0.00 N ATOM 1028 CA LYS A 66 4.177 8.268 7.333 1.00 0.00 C ATOM 1029 C LYS A 66 2.950 8.998 7.870 1.00 0.00 C ATOM 1030 O LYS A 66 3.071 10.015 8.552 1.00 0.00 O ATOM 1031 CB LYS A 66 4.159 8.277 5.803 1.00 0.00 C ATOM 1032 CG LYS A 66 5.510 7.976 5.177 1.00 0.00 C ATOM 1033 CD LYS A 66 5.381 7.664 3.695 1.00 0.00 C ATOM 1034 CE LYS A 66 5.493 8.923 2.849 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.876 8.614 1.444 1.00 0.00 N ATOM 0 H LYS A 66 4.216 6.186 7.101 1.00 0.00 H new ATOM 0 HA LYS A 66 5.069 8.787 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.434 7.543 5.452 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.817 9.253 5.458 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.174 8.830 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.969 7.130 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.157 6.957 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.422 7.181 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.540 9.452 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.233 9.591 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.682 9.439 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.890 8.386 1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.324 7.800 1.105 1.00 0.00 H new ATOM 1049 N MET A 67 1.770 8.470 7.560 1.00 0.00 N ATOM 1050 CA MET A 67 0.521 9.071 8.014 1.00 0.00 C ATOM 1051 C MET A 67 0.535 9.276 9.526 1.00 0.00 C ATOM 1052 O MET A 67 0.036 10.282 10.030 1.00 0.00 O ATOM 1053 CB MET A 67 -0.666 8.192 7.618 1.00 0.00 C ATOM 1054 CG MET A 67 -2.013 8.771 8.021 1.00 0.00 C ATOM 1055 SD MET A 67 -2.271 10.437 7.381 1.00 0.00 S ATOM 1056 CE MET A 67 -3.074 10.080 5.820 1.00 0.00 C ATOM 0 H MET A 67 1.653 7.628 6.997 1.00 0.00 H new ATOM 0 HA MET A 67 0.419 10.044 7.534 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.652 8.042 6.538 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.550 7.210 8.077 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.808 8.119 7.658 1.00 0.00 H new ATOM 0 HG3 MET A 67 -2.086 8.788 9.108 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.502 10.525 5.006 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.128 9.001 5.677 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.081 10.497 5.825 1.00 0.00 H new ATOM 1066 N ASP A 68 1.109 8.316 10.243 1.00 0.00 N ATOM 1067 CA ASP A 68 1.189 8.392 11.697 1.00 0.00 C ATOM 1068 C ASP A 68 1.707 9.756 12.143 1.00 0.00 C ATOM 1069 O ASP A 68 1.070 10.444 12.939 1.00 0.00 O ATOM 1070 CB ASP A 68 2.096 7.286 12.238 1.00 0.00 C ATOM 1071 CG ASP A 68 2.052 7.189 13.751 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.968 7.417 14.329 1.00 0.00 O ATOM 1073 OD2 ASP A 68 3.101 6.886 14.356 1.00 0.00 O ATOM 0 H ASP A 68 1.526 7.476 9.841 1.00 0.00 H new ATOM 0 HA ASP A 68 0.185 8.256 12.099 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.796 6.331 11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.121 7.472 11.918 1.00 0.00 H new ATOM 1078 N GLY A 69 2.869 10.140 11.623 1.00 0.00 N ATOM 1079 CA GLY A 69 3.455 11.420 11.980 1.00 0.00 C ATOM 1080 C GLY A 69 3.097 12.515 10.996 1.00 0.00 C ATOM 1081 O GLY A 69 3.852 13.472 10.820 1.00 0.00 O ATOM 0 H GLY A 69 3.415 9.588 10.961 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.117 11.706 12.976 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.539 11.319 12.028 1.00 0.00 H new ATOM 1085 N ARG A 70 1.943 12.376 10.352 1.00 0.00 N ATOM 1086 CA ARG A 70 1.488 13.361 9.378 1.00 0.00 C ATOM 1087 C ARG A 70 2.615 13.742 8.422 1.00 0.00 C ATOM 1088 O ARG A 70 2.831 14.920 8.140 1.00 0.00 O ATOM 1089 CB ARG A 70 0.965 14.610 10.090 1.00 0.00 C ATOM 1090 CG ARG A 70 -0.512 14.537 10.442 1.00 0.00 C ATOM 1091 CD ARG A 70 -0.766 13.557 11.576 1.00 0.00 C ATOM 1092 NE ARG A 70 -2.051 13.794 12.227 1.00 0.00 N ATOM 1093 CZ ARG A 70 -2.716 12.863 12.902 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -2.219 11.639 13.014 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -3.881 13.155 13.467 1.00 0.00 N ATOM 0 H ARG A 70 1.306 11.591 10.487 1.00 0.00 H new ATOM 0 HA ARG A 70 0.679 12.915 8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.540 14.765 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.136 15.479 9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.868 15.527 10.728 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.082 14.235 9.564 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.739 12.539 11.188 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.034 13.639 12.312 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.461 14.726 12.160 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.324 11.410 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.732 10.926 13.533 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.267 14.095 13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.390 12.439 13.985 1.00 0.00 H new ATOM 1109 N GLU A 71 3.331 12.736 7.929 1.00 0.00 N ATOM 1110 CA GLU A 71 4.437 12.966 7.007 1.00 0.00 C ATOM 1111 C GLU A 71 3.920 13.305 5.612 1.00 0.00 C ATOM 1112 O GLU A 71 4.507 14.122 4.902 1.00 0.00 O ATOM 1113 CB GLU A 71 5.342 11.734 6.943 1.00 0.00 C ATOM 1114 CG GLU A 71 6.077 11.450 8.242 1.00 0.00 C ATOM 1115 CD GLU A 71 7.390 10.724 8.023 1.00 0.00 C ATOM 1116 OE1 GLU A 71 7.432 9.822 7.160 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.375 11.058 8.713 1.00 0.00 O ATOM 0 H GLU A 71 3.165 11.755 8.153 1.00 0.00 H new ATOM 0 HA GLU A 71 5.015 13.813 7.377 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.740 10.865 6.679 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.072 11.871 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.268 12.390 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.439 10.851 8.892 1.00 0.00 H new ATOM 1124 N TYR A 72 2.819 12.671 5.225 1.00 0.00 N ATOM 1125 CA TYR A 72 2.224 12.901 3.914 1.00 0.00 C ATOM 1126 C TYR A 72 1.889 14.377 3.720 1.00 0.00 C ATOM 1127 O TYR A 72 1.286 15.021 4.578 1.00 0.00 O ATOM 1128 CB TYR A 72 0.962 12.054 3.747 1.00 0.00 C ATOM 1129 CG TYR A 72 1.244 10.599 3.448 1.00 0.00 C ATOM 1130 CD1 TYR A 72 1.952 10.228 2.312 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.802 9.595 4.301 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.212 8.900 2.034 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.058 8.265 4.032 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.763 7.922 2.897 1.00 0.00 C ATOM 1135 OH TYR A 72 2.020 6.598 2.625 1.00 0.00 O ATOM 0 H TYR A 72 2.320 11.993 5.801 1.00 0.00 H new ATOM 0 HA TYR A 72 2.952 12.609 3.157 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.367 12.120 4.658 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.358 12.471 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.305 10.991 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.249 9.860 5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.764 8.629 1.146 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.708 7.498 4.707 1.00 0.00 H new ATOM 0 HH TYR A 72 2.925 6.509 2.259 1.00 0.00 H new ATOM 1145 N PRO A 73 2.290 14.926 2.564 1.00 0.00 N ATOM 1146 CA PRO A 73 2.043 16.332 2.228 1.00 0.00 C ATOM 1147 C PRO A 73 0.567 16.614 1.964 1.00 0.00 C ATOM 1148 O PRO A 73 0.007 17.577 2.487 1.00 0.00 O ATOM 1149 CB PRO A 73 2.863 16.541 0.952 1.00 0.00 C ATOM 1150 CG PRO A 73 2.971 15.185 0.345 1.00 0.00 C ATOM 1151 CD PRO A 73 3.014 14.218 1.495 1.00 0.00 C ATOM 0 HA PRO A 73 2.319 17.001 3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.371 17.240 0.275 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.847 16.954 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.121 14.980 -0.305 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.869 15.102 -0.268 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.534 13.272 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.038 13.987 1.788 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.056 15.768 1.151 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.467 15.926 0.819 1.00 0.00 C ATOM 1161 C ASP A 74 -2.114 14.573 0.541 1.00 0.00 C ATOM 1162 O ASP A 74 -1.430 13.556 0.440 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.628 16.841 -0.396 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.407 18.302 -0.054 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.234 18.716 0.051 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -2.408 19.031 0.108 1.00 0.00 O ATOM 0 H ASP A 74 0.394 14.966 0.710 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.968 16.380 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.921 16.541 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.628 16.715 -0.812 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.438 14.570 0.420 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.178 13.343 0.153 1.00 0.00 C ATOM 1173 C ALA A 75 -3.518 12.535 -0.958 1.00 0.00 C ATOM 1174 O ALA A 75 -3.302 11.331 -0.818 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.620 13.664 -0.210 1.00 0.00 C ATOM 0 H ALA A 75 -4.020 15.404 0.503 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.170 12.739 1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.160 12.738 -0.407 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.094 14.192 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.640 14.292 -1.101 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.201 13.204 -2.062 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.567 12.546 -3.198 1.00 0.00 C ATOM 1183 C GLN A 76 -1.343 11.752 -2.754 1.00 0.00 C ATOM 1184 O GLN A 76 -1.142 10.614 -3.177 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.164 13.578 -4.253 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.344 14.319 -4.861 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.847 15.442 -3.975 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.113 15.961 -3.134 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.106 15.824 -4.160 1.00 0.00 N ATOM 0 H GLN A 76 -3.373 14.201 -2.194 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.288 11.854 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.485 14.301 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.612 13.076 -5.048 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.052 14.728 -5.828 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.155 13.615 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.679 15.366 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.500 16.575 -3.593 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.527 12.360 -1.898 1.00 0.00 N ATOM 1199 CA GLY A 77 0.667 11.695 -1.411 1.00 0.00 C ATOM 1200 C GLY A 77 0.358 10.383 -0.717 1.00 0.00 C ATOM 1201 O GLY A 77 1.041 9.382 -0.933 1.00 0.00 O ATOM 0 H GLY A 77 -0.672 13.301 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.343 11.510 -2.246 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.190 12.355 -0.718 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.674 10.388 0.121 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.070 9.190 0.852 1.00 0.00 C ATOM 1207 C PHE A 78 -1.514 8.089 -0.108 1.00 0.00 C ATOM 1208 O PHE A 78 -0.980 6.981 -0.087 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.200 9.515 1.831 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.953 8.303 2.301 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.363 7.400 3.171 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.250 8.067 1.875 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.052 6.283 3.605 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.944 6.952 2.306 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.345 6.060 3.173 1.00 0.00 C ATOM 0 H PHE A 78 -1.251 11.208 0.310 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.205 8.833 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.784 10.032 2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.897 10.203 1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.353 7.571 3.514 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.724 8.762 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.580 5.585 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.954 6.779 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.886 5.189 3.513 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.495 8.404 -0.947 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.010 7.444 -1.915 1.00 0.00 C ATOM 1227 C ALA A 79 -1.893 6.905 -2.802 1.00 0.00 C ATOM 1228 O ALA A 79 -1.785 5.698 -3.016 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.099 8.083 -2.764 1.00 0.00 C ATOM 0 H ALA A 79 -2.949 9.317 -0.976 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.438 6.606 -1.365 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.475 7.355 -3.483 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.915 8.413 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.688 8.940 -3.297 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.064 7.808 -3.315 1.00 0.00 N ATOM 1236 CA ALA A 80 0.046 7.423 -4.178 1.00 0.00 C ATOM 1237 C ALA A 80 0.696 6.131 -3.693 1.00 0.00 C ATOM 1238 O ALA A 80 0.839 5.173 -4.453 1.00 0.00 O ATOM 1239 CB ALA A 80 1.076 8.541 -4.244 1.00 0.00 C ATOM 0 H ALA A 80 -1.140 8.811 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.349 7.248 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.899 8.240 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.610 9.442 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.457 8.744 -3.243 1.00 0.00 H new ATOM 1245 N ASP A 81 1.088 6.112 -2.424 1.00 0.00 N ATOM 1246 CA ASP A 81 1.722 4.938 -1.837 1.00 0.00 C ATOM 1247 C ASP A 81 0.803 3.723 -1.923 1.00 0.00 C ATOM 1248 O ASP A 81 1.192 2.671 -2.430 1.00 0.00 O ATOM 1249 CB ASP A 81 2.095 5.208 -0.378 1.00 0.00 C ATOM 1250 CG ASP A 81 3.179 6.259 -0.243 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.107 7.281 -0.957 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.100 6.060 0.577 1.00 0.00 O ATOM 0 H ASP A 81 0.978 6.897 -1.782 1.00 0.00 H new ATOM 0 HA ASP A 81 2.629 4.726 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.208 5.533 0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.432 4.281 0.085 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.420 3.876 -1.423 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.395 2.792 -1.444 1.00 0.00 C ATOM 1259 C VAL A 82 -1.463 2.141 -2.820 1.00 0.00 C ATOM 1260 O VAL A 82 -1.319 0.925 -2.951 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.798 3.293 -1.054 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.808 2.157 -1.121 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.775 3.916 0.333 1.00 0.00 C ATOM 0 H VAL A 82 -0.758 4.740 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.065 2.054 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.102 4.060 -1.766 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.794 2.530 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.843 1.761 -2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.511 1.365 -0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.775 4.264 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.450 3.172 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.083 4.759 0.342 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.684 2.958 -3.845 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.773 2.461 -5.213 1.00 0.00 C ATOM 1275 C ARG A 83 -0.519 1.677 -5.589 1.00 0.00 C ATOM 1276 O ARG A 83 -0.602 0.557 -6.094 1.00 0.00 O ATOM 1277 CB ARG A 83 -1.973 3.622 -6.188 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.358 4.245 -6.119 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.601 5.194 -7.282 1.00 0.00 C ATOM 1280 NE ARG A 83 -2.873 6.450 -7.125 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.295 7.454 -6.364 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -4.434 7.349 -5.694 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -2.576 8.565 -6.272 1.00 0.00 N ATOM 0 H ARG A 83 -1.805 3.967 -3.754 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.631 1.792 -5.275 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.228 4.390 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.794 3.268 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.113 3.458 -6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.469 4.785 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.297 4.713 -8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.668 5.401 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.992 6.563 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.989 6.496 -5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.756 8.121 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.699 8.649 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.900 9.336 -5.688 1.00 0.00 H new ATOM 1297 N LEU A 84 0.642 2.273 -5.340 1.00 0.00 N ATOM 1298 CA LEU A 84 1.914 1.631 -5.652 1.00 0.00 C ATOM 1299 C LEU A 84 2.017 0.268 -4.976 1.00 0.00 C ATOM 1300 O LEU A 84 2.598 -0.667 -5.527 1.00 0.00 O ATOM 1301 CB LEU A 84 3.078 2.520 -5.212 1.00 0.00 C ATOM 1302 CG LEU A 84 4.441 1.837 -5.103 1.00 0.00 C ATOM 1303 CD1 LEU A 84 5.004 1.545 -6.485 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.407 2.697 -4.302 1.00 0.00 C ATOM 0 H LEU A 84 0.729 3.200 -4.923 1.00 0.00 H new ATOM 0 HA LEU A 84 1.964 1.485 -6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.164 3.347 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.832 2.952 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 84 4.310 0.890 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.975 1.059 -6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.322 0.888 -7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.120 2.479 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.372 2.194 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.533 3.660 -4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.009 2.854 -3.299 1.00 0.00 H new ATOM 1316 N MET A 85 1.446 0.161 -3.780 1.00 0.00 N ATOM 1317 CA MET A 85 1.471 -1.089 -3.031 1.00 0.00 C ATOM 1318 C MET A 85 0.689 -2.176 -3.762 1.00 0.00 C ATOM 1319 O MET A 85 1.168 -3.300 -3.919 1.00 0.00 O ATOM 1320 CB MET A 85 0.891 -0.881 -1.631 1.00 0.00 C ATOM 1321 CG MET A 85 0.721 -2.172 -0.846 1.00 0.00 C ATOM 1322 SD MET A 85 -0.430 -2.000 0.532 1.00 0.00 S ATOM 1323 CE MET A 85 -1.985 -1.842 -0.344 1.00 0.00 C ATOM 0 H MET A 85 0.961 0.925 -3.310 1.00 0.00 H new ATOM 0 HA MET A 85 2.509 -1.410 -2.942 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.543 -0.209 -1.073 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.077 -0.388 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.366 -2.956 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.691 -2.492 -0.466 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.754 -2.417 0.172 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.278 -0.793 -0.378 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.870 -2.220 -1.360 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.516 -1.835 -4.206 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.365 -2.783 -4.919 1.00 0.00 C ATOM 1335 C PHE A 86 -0.771 -3.125 -6.283 1.00 0.00 C ATOM 1336 O PHE A 86 -0.474 -4.285 -6.569 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.772 -2.209 -5.092 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.560 -2.158 -3.814 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -3.902 -3.324 -3.149 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.959 -0.943 -3.279 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.627 -3.280 -1.972 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.683 -0.894 -2.103 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.019 -2.063 -1.450 1.00 0.00 C ATOM 0 H PHE A 86 -0.927 -0.909 -4.085 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.423 -3.697 -4.328 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.697 -1.203 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.315 -2.812 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.599 -4.278 -3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.701 -0.025 -3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.886 -4.196 -1.462 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.986 0.059 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.587 -2.026 -0.532 1.00 0.00 H new ATOM 1353 N SER A 87 -0.603 -2.107 -7.120 1.00 0.00 N ATOM 1354 CA SER A 87 -0.050 -2.299 -8.456 1.00 0.00 C ATOM 1355 C SER A 87 1.038 -3.370 -8.444 1.00 0.00 C ATOM 1356 O SER A 87 1.107 -4.209 -9.340 1.00 0.00 O ATOM 1357 CB SER A 87 0.520 -0.983 -8.989 1.00 0.00 C ATOM 1358 OG SER A 87 0.844 -1.089 -10.365 1.00 0.00 O ATOM 0 H SER A 87 -0.842 -1.141 -6.897 1.00 0.00 H new ATOM 0 HA SER A 87 -0.855 -2.630 -9.112 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.206 -0.183 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.411 -0.712 -8.422 1.00 0.00 H new ATOM 0 HG SER A 87 1.205 -0.235 -10.683 1.00 0.00 H new ATOM 1364 N ASN A 88 1.886 -3.332 -7.421 1.00 0.00 N ATOM 1365 CA ASN A 88 2.971 -4.297 -7.292 1.00 0.00 C ATOM 1366 C ASN A 88 2.426 -5.719 -7.201 1.00 0.00 C ATOM 1367 O ASN A 88 2.934 -6.632 -7.853 1.00 0.00 O ATOM 1368 CB ASN A 88 3.816 -3.983 -6.056 1.00 0.00 C ATOM 1369 CG ASN A 88 4.625 -2.710 -6.217 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.081 -2.386 -7.313 1.00 0.00 O ATOM 1371 ND2 ASN A 88 4.806 -1.982 -5.121 1.00 0.00 N ATOM 0 H ASN A 88 1.842 -2.643 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 88 3.598 -4.223 -8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.164 -3.888 -5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.490 -4.816 -5.859 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.342 -1.115 -5.167 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.409 -2.290 -4.233 1.00 0.00 H new ATOM 1378 N CYS A 89 1.390 -5.899 -6.389 1.00 0.00 N ATOM 1379 CA CYS A 89 0.775 -7.210 -6.213 1.00 0.00 C ATOM 1380 C CYS A 89 0.488 -7.862 -7.561 1.00 0.00 C ATOM 1381 O CYS A 89 0.893 -8.997 -7.812 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.518 -7.085 -5.407 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.558 -8.564 -5.446 1.00 0.00 S ATOM 0 H CYS A 89 0.958 -5.154 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 89 1.475 -7.842 -5.667 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.267 -6.857 -4.371 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -1.091 -6.240 -5.789 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.621 -8.328 -6.156 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.214 -7.137 -8.425 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.560 -7.646 -9.747 1.00 0.00 C ATOM 1391 C TYR A 90 0.602 -7.469 -10.720 1.00 0.00 C ATOM 1392 O TYR A 90 0.428 -7.553 -11.936 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.802 -6.933 -10.282 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.818 -6.601 -9.213 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.626 -7.588 -8.664 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.969 -5.299 -8.751 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.556 -7.289 -7.687 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.895 -4.991 -7.773 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.687 -5.989 -7.245 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.611 -5.687 -6.271 1.00 0.00 O ATOM 0 H TYR A 90 -0.555 -6.195 -8.234 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.773 -8.711 -9.654 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.496 -6.012 -10.779 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -2.274 -7.561 -11.037 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.526 -8.607 -9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.352 -4.515 -9.164 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.177 -8.069 -7.272 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.998 -3.974 -7.424 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.145 -4.916 -6.554 1.00 0.00 H new ATOM 1410 N LYS A 91 1.788 -7.222 -10.176 1.00 0.00 N ATOM 1411 CA LYS A 91 2.981 -7.034 -10.993 1.00 0.00 C ATOM 1412 C LYS A 91 3.976 -8.169 -10.774 1.00 0.00 C ATOM 1413 O LYS A 91 4.514 -8.729 -11.729 1.00 0.00 O ATOM 1414 CB LYS A 91 3.642 -5.693 -10.665 1.00 0.00 C ATOM 1415 CG LYS A 91 4.452 -5.117 -11.814 1.00 0.00 C ATOM 1416 CD LYS A 91 5.751 -5.880 -12.018 1.00 0.00 C ATOM 1417 CE LYS A 91 6.711 -5.115 -12.916 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.592 -6.030 -13.693 1.00 0.00 N ATOM 0 H LYS A 91 1.949 -7.147 -9.172 1.00 0.00 H new ATOM 0 HA LYS A 91 2.678 -7.037 -12.040 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.871 -4.977 -10.381 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.293 -5.820 -9.800 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.861 -5.151 -12.730 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.672 -4.068 -11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.222 -6.063 -11.052 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.537 -6.854 -12.458 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.143 -4.487 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.324 -4.449 -12.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.692 -5.674 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.529 -6.075 -13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.172 -6.981 -13.714 1.00 0.00 H new ATOM 1432 N TYR A 92 4.213 -8.506 -9.511 1.00 0.00 N ATOM 1433 CA TYR A 92 5.144 -9.575 -9.167 1.00 0.00 C ATOM 1434 C TYR A 92 4.468 -10.939 -9.267 1.00 0.00 C ATOM 1435 O TYR A 92 4.829 -11.763 -10.106 1.00 0.00 O ATOM 1436 CB TYR A 92 5.691 -9.367 -7.754 1.00 0.00 C ATOM 1437 CG TYR A 92 6.681 -10.427 -7.327 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.930 -10.523 -7.929 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.369 -11.334 -6.321 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.838 -11.490 -7.543 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.271 -12.303 -5.927 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.503 -12.377 -6.541 1.00 0.00 C ATOM 1443 OH TYR A 92 9.404 -13.342 -6.153 1.00 0.00 O ATOM 0 H TYR A 92 3.774 -8.055 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 92 5.970 -9.546 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.171 -8.390 -7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.859 -9.353 -7.050 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.196 -9.829 -8.713 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.404 -11.280 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.804 -11.551 -8.023 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.013 -12.999 -5.142 1.00 0.00 H new ATOM 0 HH TYR A 92 9.014 -13.884 -5.436 1.00 0.00 H new ATOM 1453 N ASN A 93 3.483 -11.169 -8.405 1.00 0.00 N ATOM 1454 CA ASN A 93 2.755 -12.432 -8.396 1.00 0.00 C ATOM 1455 C ASN A 93 1.830 -12.537 -9.605 1.00 0.00 C ATOM 1456 O ASN A 93 1.283 -11.544 -10.086 1.00 0.00 O ATOM 1457 CB ASN A 93 1.943 -12.568 -7.105 1.00 0.00 C ATOM 1458 CG ASN A 93 1.002 -11.399 -6.889 1.00 0.00 C ATOM 1459 OD1 ASN A 93 -0.013 -11.269 -7.574 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.336 -10.540 -5.933 1.00 0.00 N ATOM 0 H ASN A 93 3.171 -10.497 -7.704 1.00 0.00 H new ATOM 0 HA ASN A 93 3.483 -13.242 -8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.368 -13.493 -7.137 1.00 0.00 H new ATOM 0 HB3 ASN A 93 2.624 -12.645 -6.257 1.00 0.00 H new ATOM 0 HD21 ASN A 93 0.742 -9.733 -5.742 1.00 0.00 H new ATOM 0 HD22 ASN A 93 2.187 -10.687 -5.390 1.00 0.00 H new ATOM 1467 N PRO A 94 1.649 -13.767 -10.107 1.00 0.00 N ATOM 1468 CA PRO A 94 0.790 -14.031 -11.265 1.00 0.00 C ATOM 1469 C PRO A 94 -0.689 -13.838 -10.946 1.00 0.00 C ATOM 1470 O PRO A 94 -1.084 -13.687 -9.790 1.00 0.00 O ATOM 1471 CB PRO A 94 1.079 -15.498 -11.594 1.00 0.00 C ATOM 1472 CG PRO A 94 1.537 -16.091 -10.307 1.00 0.00 C ATOM 1473 CD PRO A 94 2.269 -14.996 -9.583 1.00 0.00 C ATOM 0 HA PRO A 94 0.995 -13.347 -12.088 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.188 -16.003 -11.968 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.844 -15.588 -12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.691 -16.449 -9.720 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.189 -16.947 -10.482 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.148 -15.078 -8.503 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.339 -15.025 -9.787 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.526 -13.842 -11.993 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.975 -13.670 -11.849 1.00 0.00 C ATOM 1483 C PRO A 95 -3.639 -14.873 -11.187 1.00 0.00 C ATOM 1484 O PRO A 95 -4.856 -14.898 -11.002 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.460 -13.519 -13.293 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.432 -14.219 -14.113 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.124 -14.017 -13.399 1.00 0.00 C ATOM 0 HA PRO A 95 -3.223 -12.822 -11.211 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.445 -13.965 -13.428 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.544 -12.469 -13.575 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.665 -15.280 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.393 -13.809 -15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.462 -14.874 -13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.591 -13.144 -13.776 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.832 -15.867 -10.833 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.342 -17.073 -10.190 1.00 0.00 C ATOM 1497 C ASP A 96 -3.200 -16.981 -8.674 1.00 0.00 C ATOM 1498 O ASP A 96 -4.104 -17.366 -7.931 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.602 -18.306 -10.710 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.610 -18.390 -12.224 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -1.773 -17.716 -12.860 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -3.454 -19.129 -12.773 1.00 0.00 O ATOM 0 H ASP A 96 -1.823 -15.862 -10.980 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.400 -17.165 -10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.571 -18.284 -10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.062 -19.204 -10.297 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.060 -16.471 -8.221 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.799 -16.330 -6.792 1.00 0.00 C ATOM 1509 C HIS A 97 -3.056 -15.882 -6.053 1.00 0.00 C ATOM 1510 O HIS A 97 -3.574 -14.793 -6.296 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.669 -15.328 -6.555 1.00 0.00 C ATOM 1512 CG HIS A 97 0.134 -15.611 -5.323 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.314 -15.323 -4.051 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.361 -16.162 -5.173 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.605 -15.682 -3.171 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.631 -16.194 -3.826 1.00 0.00 N ATOM 0 H HIS A 97 -1.302 -16.148 -8.822 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.498 -17.303 -6.404 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.005 -15.330 -7.420 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.092 -14.326 -6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.007 -16.511 -5.964 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.529 -15.575 -2.099 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.485 -16.555 -3.401 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.540 -16.730 -5.150 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.737 -16.420 -4.377 1.00 0.00 C ATOM 1526 C GLU A 98 -4.651 -15.019 -3.778 1.00 0.00 C ATOM 1527 O GLU A 98 -5.602 -14.241 -3.852 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.933 -17.452 -3.264 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.109 -17.168 -2.020 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.195 -18.283 -0.996 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.325 -18.644 -0.604 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.132 -18.796 -0.588 1.00 0.00 O ATOM 0 H GLU A 98 -3.122 -17.636 -4.936 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.593 -16.456 -5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.988 -17.484 -2.991 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.672 -18.439 -3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.067 -17.021 -2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.450 -16.237 -1.567 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.504 -14.706 -3.184 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.292 -13.400 -2.572 1.00 0.00 C ATOM 1541 C VAL A 99 -3.850 -12.285 -3.450 1.00 0.00 C ATOM 1542 O VAL A 99 -4.362 -11.284 -2.949 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.796 -13.136 -2.316 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.125 -12.599 -3.570 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.617 -12.173 -1.152 1.00 0.00 C ATOM 0 H VAL A 99 -2.707 -15.339 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.820 -13.408 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.319 -14.080 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.069 -12.419 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.222 -13.328 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.602 -11.665 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.554 -11.998 -0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.109 -11.228 -1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.060 -12.602 -0.253 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.747 -12.465 -4.763 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.242 -11.475 -5.711 1.00 0.00 C ATOM 1557 C VAL A 100 -5.723 -11.191 -5.486 1.00 0.00 C ATOM 1558 O VAL A 100 -6.149 -10.037 -5.470 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.035 -11.938 -7.166 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.805 -11.044 -8.126 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.554 -11.957 -7.512 1.00 0.00 C ATOM 0 H VAL A 100 -3.325 -13.288 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.670 -10.562 -5.543 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.421 -12.953 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.647 -11.387 -9.149 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.868 -11.087 -7.890 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.453 -10.017 -8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.425 -12.286 -8.543 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.141 -10.955 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.033 -12.643 -6.844 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.504 -12.253 -5.312 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.937 -12.118 -5.085 1.00 0.00 C ATOM 1573 C ALA A 101 -8.220 -11.389 -3.776 1.00 0.00 C ATOM 1574 O ALA A 101 -9.219 -10.682 -3.651 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.602 -13.487 -5.083 1.00 0.00 C ATOM 0 H ALA A 101 -6.168 -13.216 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.354 -11.524 -5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.672 -13.371 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.438 -13.972 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.172 -14.099 -4.290 1.00 0.00 H new ATOM 1581 N MET A 102 -7.333 -11.568 -2.801 1.00 0.00 N ATOM 1582 CA MET A 102 -7.488 -10.926 -1.501 1.00 0.00 C ATOM 1583 C MET A 102 -7.181 -9.434 -1.591 1.00 0.00 C ATOM 1584 O MET A 102 -7.836 -8.616 -0.946 1.00 0.00 O ATOM 1585 CB MET A 102 -6.571 -11.586 -0.470 1.00 0.00 C ATOM 1586 CG MET A 102 -6.942 -13.027 -0.161 1.00 0.00 C ATOM 1587 SD MET A 102 -6.457 -13.528 1.502 1.00 0.00 S ATOM 1588 CE MET A 102 -4.729 -13.059 1.507 1.00 0.00 C ATOM 0 H MET A 102 -6.501 -12.152 -2.887 1.00 0.00 H new ATOM 0 HA MET A 102 -8.524 -11.047 -1.185 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.545 -11.554 -0.836 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.599 -11.006 0.453 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.019 -13.153 -0.275 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.465 -13.685 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.127 -13.891 1.873 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.418 -12.805 0.494 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.588 -12.195 2.157 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.181 -9.088 -2.395 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.788 -7.695 -2.570 1.00 0.00 C ATOM 1600 C ALA A 103 -6.966 -6.848 -3.040 1.00 0.00 C ATOM 1601 O ALA A 103 -7.217 -5.767 -2.507 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.634 -7.592 -3.556 1.00 0.00 C ATOM 0 H ALA A 103 -5.628 -9.753 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.461 -7.311 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.351 -6.546 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.782 -8.157 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.941 -7.998 -4.520 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.684 -7.346 -4.041 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.835 -6.634 -4.584 1.00 0.00 C ATOM 1610 C ARG A 104 -9.818 -6.265 -3.477 1.00 0.00 C ATOM 1611 O ARG A 104 -10.135 -5.092 -3.278 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.537 -7.487 -5.642 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.891 -7.408 -7.016 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.412 -8.497 -7.940 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.750 -8.196 -8.441 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.282 -8.778 -9.510 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.594 -9.688 -10.186 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.506 -8.451 -9.905 1.00 0.00 N ATOM 0 H ARG A 104 -7.489 -8.240 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.476 -5.715 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.544 -8.526 -5.313 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.577 -7.170 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.088 -6.431 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.809 -7.500 -6.917 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.729 -8.617 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.430 -9.447 -7.406 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.306 -7.501 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.653 -9.943 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.006 -10.133 -11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -13.039 -7.752 -9.388 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.914 -8.899 -10.726 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.298 -7.275 -2.760 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.245 -7.059 -1.672 1.00 0.00 C ATOM 1634 C LYS A 105 -10.947 -5.752 -0.943 1.00 0.00 C ATOM 1635 O LYS A 105 -11.826 -4.904 -0.783 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.197 -8.228 -0.686 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.865 -9.489 -1.206 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.631 -10.668 -0.275 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.170 -11.961 -0.868 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.154 -12.652 -1.709 1.00 0.00 N ATOM 0 H LYS A 105 -10.047 -8.252 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.245 -6.996 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.157 -8.450 -0.448 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.680 -7.928 0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.936 -9.317 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.478 -9.725 -2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.564 -10.773 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.113 -10.477 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.488 -12.625 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.053 -11.744 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -11.630 -13.317 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -10.627 -11.949 -2.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.494 -13.174 -1.098 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.703 -5.596 -0.504 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.289 -4.392 0.208 1.00 0.00 C ATOM 1656 C LEU A 106 -9.315 -3.178 -0.716 1.00 0.00 C ATOM 1657 O LEU A 106 -9.680 -2.079 -0.300 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.886 -4.576 0.788 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.384 -3.456 1.700 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.910 -3.642 3.114 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.863 -3.406 1.697 1.00 0.00 C ATOM 0 H LEU A 106 -8.964 -6.288 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.992 -4.221 1.023 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.866 -5.510 1.349 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.184 -4.686 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.759 -2.507 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.542 -2.835 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.000 -3.626 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.566 -4.599 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.524 -2.603 2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.467 -4.357 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.507 -3.222 0.683 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.927 -3.386 -1.970 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.907 -2.309 -2.952 1.00 0.00 C ATOM 1675 C GLN A 107 -10.301 -1.717 -3.139 1.00 0.00 C ATOM 1676 O GLN A 107 -10.471 -0.498 -3.151 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.374 -2.821 -4.291 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.242 -1.736 -5.348 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.406 -2.175 -6.533 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.386 -3.353 -6.892 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.709 -1.228 -7.150 1.00 0.00 N ATOM 0 H GLN A 107 -8.622 -4.291 -2.330 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.246 -1.526 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.399 -3.282 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.039 -3.600 -4.663 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.235 -1.449 -5.695 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.793 -0.850 -4.900 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.754 -0.264 -6.819 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.128 -1.464 -7.955 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.293 -2.588 -3.284 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.672 -2.152 -3.469 1.00 0.00 C ATOM 1692 C ASP A 108 -13.071 -1.140 -2.400 1.00 0.00 C ATOM 1693 O ASP A 108 -13.415 0.001 -2.708 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.619 -3.353 -3.431 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.924 -3.085 -4.155 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.893 -2.399 -5.198 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.976 -3.560 -3.678 1.00 0.00 O ATOM 0 H ASP A 108 -11.168 -3.600 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.747 -1.671 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.127 -4.214 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.829 -3.613 -2.394 1.00 0.00 H new ATOM 1702 N VAL A 109 -13.022 -1.566 -1.142 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.378 -0.697 -0.026 1.00 0.00 C ATOM 1704 C VAL A 109 -12.535 0.573 -0.028 1.00 0.00 C ATOM 1705 O VAL A 109 -13.038 1.666 0.234 1.00 0.00 O ATOM 1706 CB VAL A 109 -13.200 -1.416 1.324 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -11.789 -1.970 1.453 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.519 -0.474 2.475 1.00 0.00 C ATOM 0 H VAL A 109 -12.739 -2.507 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.428 -0.433 -0.153 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.898 -2.253 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.683 -2.474 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.602 -2.680 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.070 -1.153 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.388 -0.999 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.848 0.384 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.550 -0.131 2.390 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.248 0.422 -0.327 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.334 1.557 -0.363 1.00 0.00 C ATOM 1720 C PHE A 110 -10.775 2.578 -1.407 1.00 0.00 C ATOM 1721 O PHE A 110 -10.725 3.785 -1.170 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.911 1.083 -0.665 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.992 2.187 -1.106 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.538 3.131 -0.200 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.583 2.280 -2.427 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.693 4.148 -0.603 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.738 3.295 -2.836 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.292 4.229 -1.922 1.00 0.00 C ATOM 0 H PHE A 110 -10.816 -0.475 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.350 2.036 0.616 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.497 0.611 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.948 0.320 -1.442 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.848 3.072 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.928 1.551 -3.145 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.347 4.879 0.113 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.427 3.357 -3.868 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.630 5.022 -2.238 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.206 2.085 -2.564 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.654 2.954 -3.645 1.00 0.00 C ATOM 1740 C GLU A 111 -12.843 3.803 -3.203 1.00 0.00 C ATOM 1741 O GLU A 111 -12.791 5.032 -3.246 1.00 0.00 O ATOM 1742 CB GLU A 111 -12.035 2.123 -4.872 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.839 1.640 -5.676 1.00 0.00 C ATOM 1744 CD GLU A 111 -11.201 1.286 -7.105 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -12.399 1.061 -7.376 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.285 1.234 -7.953 1.00 0.00 O ATOM 0 H GLU A 111 -11.254 1.089 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.831 3.620 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.617 1.260 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.680 2.719 -5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.072 2.415 -5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.407 0.767 -5.188 1.00 0.00 H new ATOM 1753 N MET A 112 -13.913 3.138 -2.780 1.00 0.00 N ATOM 1754 CA MET A 112 -15.114 3.832 -2.329 1.00 0.00 C ATOM 1755 C MET A 112 -14.787 4.814 -1.210 1.00 0.00 C ATOM 1756 O MET A 112 -15.288 5.939 -1.192 1.00 0.00 O ATOM 1757 CB MET A 112 -16.161 2.824 -1.850 1.00 0.00 C ATOM 1758 CG MET A 112 -15.667 1.920 -0.732 1.00 0.00 C ATOM 1759 SD MET A 112 -16.985 0.925 -0.010 1.00 0.00 S ATOM 1760 CE MET A 112 -17.795 2.138 1.030 1.00 0.00 C ATOM 0 H MET A 112 -13.973 2.121 -2.740 1.00 0.00 H new ATOM 0 HA MET A 112 -15.518 4.392 -3.172 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.043 3.364 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.473 2.208 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.890 1.261 -1.119 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.209 2.529 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.063 1.680 1.982 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.119 2.975 1.207 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.696 2.498 0.534 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.945 4.383 -0.277 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.552 5.225 0.847 1.00 0.00 C ATOM 1772 C ARG A 113 -13.069 6.588 0.362 1.00 0.00 C ATOM 1773 O ARG A 113 -13.566 7.626 0.800 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.453 4.543 1.663 1.00 0.00 C ATOM 1775 CG ARG A 113 -12.971 3.465 2.602 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.727 4.066 3.776 1.00 0.00 C ATOM 1777 NE ARG A 113 -12.847 4.354 4.905 1.00 0.00 N ATOM 1778 CZ ARG A 113 -13.261 4.915 6.035 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -14.536 5.247 6.187 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -12.399 5.146 7.018 1.00 0.00 N ATOM 0 H ARG A 113 -13.521 3.455 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.426 5.373 1.481 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.727 4.100 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.924 5.297 2.246 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.626 2.788 2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.135 2.871 2.972 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.220 4.984 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.510 3.377 4.093 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.860 4.111 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.202 5.072 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.851 5.678 7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.417 4.892 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.718 5.577 7.886 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.097 6.578 -0.544 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.546 7.814 -1.087 1.00 0.00 C ATOM 1796 C PHE A 114 -12.643 8.672 -1.709 1.00 0.00 C ATOM 1797 O PHE A 114 -12.613 9.899 -1.619 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.473 7.502 -2.132 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.515 8.635 -2.364 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.450 8.847 -1.503 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.679 9.489 -3.443 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.566 9.889 -1.714 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.799 10.532 -3.659 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.741 10.733 -2.793 1.00 0.00 C ATOM 0 H PHE A 114 -11.675 5.728 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.094 8.372 -0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.913 6.622 -1.815 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.958 7.248 -3.075 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.309 8.191 -0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.504 9.337 -4.123 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.740 10.043 -1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.938 11.190 -4.504 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.053 11.548 -2.960 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.612 8.017 -2.342 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.720 8.718 -2.978 1.00 0.00 C ATOM 1816 C ALA A 115 -15.550 9.480 -1.950 1.00 0.00 C ATOM 1817 O ALA A 115 -15.831 10.667 -2.119 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.595 7.738 -3.744 1.00 0.00 C ATOM 0 H ALA A 115 -13.651 7.001 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.305 9.442 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.419 8.276 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -15.000 7.242 -4.512 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.994 6.992 -3.056 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.940 8.791 -0.883 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.738 9.402 0.173 1.00 0.00 C ATOM 1826 C LYS A 116 -16.130 10.729 0.615 1.00 0.00 C ATOM 1827 O LYS A 116 -16.846 11.702 0.852 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.847 8.455 1.370 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.954 7.424 1.232 1.00 0.00 C ATOM 1830 CD LYS A 116 -17.703 6.491 0.059 1.00 0.00 C ATOM 1831 CE LYS A 116 -18.944 5.679 -0.282 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.893 6.448 -1.134 1.00 0.00 N ATOM 0 H LYS A 116 -15.716 7.808 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.735 9.593 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.896 7.939 1.502 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.019 9.042 2.272 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.028 6.843 2.151 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.910 7.931 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.397 7.072 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -16.880 5.817 0.298 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -18.650 4.766 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.445 5.377 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.725 5.861 -1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.194 7.307 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -19.424 6.714 -2.023 1.00 0.00 H new ATOM 1846 N MET A 117 -14.806 10.762 0.723 1.00 0.00 N ATOM 1847 CA MET A 117 -14.103 11.971 1.134 1.00 0.00 C ATOM 1848 C MET A 117 -14.317 13.094 0.125 1.00 0.00 C ATOM 1849 O MET A 117 -14.045 12.933 -1.066 1.00 0.00 O ATOM 1850 CB MET A 117 -12.607 11.689 1.291 1.00 0.00 C ATOM 1851 CG MET A 117 -11.847 12.809 1.982 1.00 0.00 C ATOM 1852 SD MET A 117 -10.078 12.479 2.098 1.00 0.00 S ATOM 1853 CE MET A 117 -9.658 12.274 0.369 1.00 0.00 C ATOM 0 H MET A 117 -14.199 9.965 0.532 1.00 0.00 H new ATOM 0 HA MET A 117 -14.508 12.288 2.095 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.477 10.768 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.172 11.520 0.306 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.004 13.740 1.437 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.252 12.954 2.983 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.667 12.687 0.184 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.662 11.214 0.117 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.390 12.796 -0.248 1.00 0.00 H new