USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl 171:sc= -0.866 (180deg=0) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.831 USER MOD Set 2.1: A 81 GLN : amide:sc= -1.36 K(o=-0.86,f=-3.1!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 158:sc= 0.0905 (180deg=0) USER MOD Set 2.3: A 124 HIS : no HD1:sc= 0.412 K(o=-0.86,f=-3.2!) USER MOD Set 3.1: A 58 SER OG : rot -106:sc= 0.437 USER MOD Set 3.2: A 62 GLN : amide:sc= 0.491 K(o=0.93,f=0.32) USER MOD Set 4.1: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 61 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Set 5.1: A 24 SER OG : rot 180:sc= 0.862 USER MOD Set 5.2: A 40 THR OG1 : rot -74:sc= 0.997 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.984 X(o=-0.98,f=-0.96) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-7.9!) USER MOD Single : A 28 ASN : amide:sc= -0.316 K(o=-0.32,f=-4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -1.12 USER MOD Single : A 36 THR OG1 : rot 29:sc= 1.13 USER MOD Single : A 38 MET CE :methyl -170:sc= -5.13 (180deg=-5.95) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -118:sc= 1.35 USER MOD Single : A 44 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.891 K(o=-0.89,f=-4.1!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 52 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1.7) USER MOD Single : A 53 MET CE :methyl -125:sc= -1.23 (180deg=-6.45!) USER MOD Single : A 54 SER OG : rot -90:sc= -0.381! USER MOD Single : A 63 HIS :FLIP no HE2:sc= -0.634 F(o=-1.3,f=-0.63) USER MOD Single : A 65 THR OG1 : rot -27:sc= 0.424 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.04 K(o=-1,f=-3.8!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 40:sc= -0.379 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 165:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 111:sc= -1.73 USER MOD Single : A 99 LYS NZ :NH3+ -157:sc= -0.0828 (180deg=-0.644) USER MOD Single : A 111 LYS NZ :NH3+ -119:sc= -0.884 (180deg=-2.96!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc=-0.00458 USER MOD Single : A 119 LYS NZ :NH3+ 155:sc= -0.0869 (180deg=-0.713) USER MOD Single : A 120 THR OG1 : rot -35:sc= 0.0406 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot -100:sc= -2.28 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 5.262 -4.108 6.479 1.00 0.00 N ATOM 107 CA PRO A 9 3.806 -4.246 6.140 1.00 0.00 C ATOM 108 C PRO A 9 3.262 -5.614 6.545 1.00 0.00 C ATOM 109 O PRO A 9 4.031 -6.570 6.705 1.00 0.00 O ATOM 110 CB PRO A 9 3.774 -4.081 4.621 1.00 0.00 C ATOM 111 CG PRO A 9 5.108 -4.564 4.160 1.00 0.00 C ATOM 112 CD PRO A 9 6.100 -4.147 5.241 1.00 0.00 C ATOM 0 HA PRO A 9 3.187 -3.519 6.665 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.967 -4.663 4.176 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.610 -3.041 4.339 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.107 -5.646 4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.371 -4.125 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.919 -4.860 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.545 -3.176 5.026 1.00 0.00 H new ATOM 120 N THR A 10 1.932 -5.706 6.702 1.00 0.00 N ATOM 121 CA THR A 10 1.290 -6.959 7.078 1.00 0.00 C ATOM 122 C THR A 10 0.653 -7.614 5.863 1.00 0.00 C ATOM 123 O THR A 10 0.190 -6.923 4.961 1.00 0.00 O ATOM 124 CB THR A 10 0.241 -6.709 8.178 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.323 -7.943 8.592 1.00 0.00 O ATOM 126 CG2 THR A 10 -0.873 -5.773 7.681 1.00 0.00 C ATOM 0 H THR A 10 1.288 -4.925 6.573 1.00 0.00 H new ATOM 0 HA THR A 10 2.047 -7.638 7.472 1.00 0.00 H new ATOM 0 HB THR A 10 0.740 -6.230 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.988 -7.780 9.293 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.599 -5.615 8.479 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.441 -4.816 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.371 -6.224 6.822 1.00 0.00 H new ATOM 134 N THR A 11 0.652 -8.948 5.843 1.00 0.00 N ATOM 135 CA THR A 11 0.092 -9.702 4.715 1.00 0.00 C ATOM 136 C THR A 11 -1.144 -10.500 5.149 1.00 0.00 C ATOM 137 O THR A 11 -1.072 -11.327 6.062 1.00 0.00 O ATOM 138 CB THR A 11 1.169 -10.649 4.134 1.00 0.00 C ATOM 139 OG1 THR A 11 2.298 -9.881 3.742 1.00 0.00 O ATOM 140 CG2 THR A 11 0.620 -11.391 2.902 1.00 0.00 C ATOM 0 H THR A 11 1.031 -9.529 6.591 1.00 0.00 H new ATOM 0 HA THR A 11 -0.218 -8.997 3.944 1.00 0.00 H new ATOM 0 HB THR A 11 1.449 -11.377 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.986 -10.475 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.389 -12.054 2.504 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.252 -11.978 3.190 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.334 -10.667 2.139 1.00 0.00 H new ATOM 148 N VAL A 12 -2.273 -10.253 4.463 1.00 0.00 N ATOM 149 CA VAL A 12 -3.529 -10.962 4.754 1.00 0.00 C ATOM 150 C VAL A 12 -4.176 -11.490 3.457 1.00 0.00 C ATOM 151 O VAL A 12 -4.314 -10.755 2.479 1.00 0.00 O ATOM 152 CB VAL A 12 -4.507 -10.038 5.532 1.00 0.00 C ATOM 153 CG1 VAL A 12 -5.825 -10.780 5.838 1.00 0.00 C ATOM 154 CG2 VAL A 12 -3.856 -9.603 6.858 1.00 0.00 C ATOM 0 H VAL A 12 -2.341 -9.571 3.707 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.301 -11.822 5.384 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.725 -9.165 4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.497 -10.118 6.383 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.296 -11.086 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.614 -11.661 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.541 -8.955 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.632 -10.484 7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.933 -9.062 6.650 1.00 0.00 H new ATOM 164 N ALA A 13 -4.578 -12.767 3.476 1.00 0.00 N ATOM 165 CA ALA A 13 -5.228 -13.402 2.321 1.00 0.00 C ATOM 166 C ALA A 13 -6.750 -13.427 2.505 1.00 0.00 C ATOM 167 O ALA A 13 -7.236 -13.466 3.641 1.00 0.00 O ATOM 168 CB ALA A 13 -4.705 -14.827 2.134 1.00 0.00 C ATOM 0 H ALA A 13 -4.464 -13.383 4.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.992 -12.817 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.195 -15.285 1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.628 -14.800 1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.918 -15.413 3.028 1.00 0.00 H new ATOM 174 N PHE A 14 -7.505 -13.397 1.381 1.00 0.00 N ATOM 175 CA PHE A 14 -8.973 -13.409 1.456 1.00 0.00 C ATOM 176 C PHE A 14 -9.589 -14.237 0.323 1.00 0.00 C ATOM 177 O PHE A 14 -8.935 -14.503 -0.691 1.00 0.00 O ATOM 178 CB PHE A 14 -9.532 -11.963 1.455 1.00 0.00 C ATOM 179 CG PHE A 14 -9.282 -11.278 0.117 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.281 -11.276 -0.866 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.061 -10.651 -0.131 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.055 -10.644 -2.097 1.00 0.00 C ATOM 183 CE2 PHE A 14 -7.833 -10.020 -1.363 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.828 -10.015 -2.343 1.00 0.00 C ATOM 0 H PHE A 14 -7.126 -13.365 0.435 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.254 -13.885 2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.602 -11.984 1.662 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.064 -11.388 2.254 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.226 -11.762 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.291 -10.651 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.825 -10.642 -2.854 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.886 -9.537 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.651 -9.526 -3.290 1.00 0.00 H new ATOM 194 N ASP A 15 -10.847 -14.650 0.520 1.00 0.00 N ATOM 195 CA ASP A 15 -11.554 -15.462 -0.466 1.00 0.00 C ATOM 196 C ASP A 15 -12.507 -14.612 -1.291 1.00 0.00 C ATOM 197 O ASP A 15 -13.408 -13.969 -0.741 1.00 0.00 O ATOM 198 CB ASP A 15 -12.355 -16.565 0.235 1.00 0.00 C ATOM 199 CG ASP A 15 -11.425 -17.447 1.063 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.398 -17.847 0.539 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.752 -17.706 2.209 1.00 0.00 O ATOM 0 H ASP A 15 -11.392 -14.433 1.354 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.809 -15.905 -1.127 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.114 -16.120 0.878 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.879 -17.170 -0.505 1.00 0.00 H new ATOM 206 N VAL A 16 -12.362 -14.689 -2.620 1.00 0.00 N ATOM 207 CA VAL A 16 -13.280 -14.004 -3.524 1.00 0.00 C ATOM 208 C VAL A 16 -14.362 -14.986 -3.947 1.00 0.00 C ATOM 209 O VAL A 16 -14.094 -15.938 -4.676 1.00 0.00 O ATOM 210 CB VAL A 16 -12.519 -13.423 -4.756 1.00 0.00 C ATOM 211 CG1 VAL A 16 -11.821 -14.543 -5.551 1.00 0.00 C ATOM 212 CG2 VAL A 16 -13.500 -12.664 -5.681 1.00 0.00 C ATOM 0 H VAL A 16 -11.623 -15.215 -3.085 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.742 -13.159 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.760 -12.732 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.298 -14.112 -6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -11.105 -15.054 -4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.565 -15.256 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.957 -12.263 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.274 -13.348 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.961 -11.845 -5.129 1.00 0.00 H new ATOM 222 N ARG A 17 -15.568 -14.784 -3.423 1.00 0.00 N ATOM 223 CA ARG A 17 -16.682 -15.692 -3.681 1.00 0.00 C ATOM 224 C ARG A 17 -17.678 -15.083 -4.701 1.00 0.00 C ATOM 225 O ARG A 17 -18.331 -14.083 -4.393 1.00 0.00 O ATOM 226 CB ARG A 17 -17.389 -16.028 -2.361 1.00 0.00 C ATOM 227 CG ARG A 17 -16.408 -16.799 -1.454 1.00 0.00 C ATOM 228 CD ARG A 17 -17.017 -16.986 -0.063 1.00 0.00 C ATOM 229 NE ARG A 17 -18.260 -17.784 -0.140 1.00 0.00 N ATOM 230 CZ ARG A 17 -19.509 -17.254 -0.021 1.00 0.00 C ATOM 231 NH1 ARG A 17 -19.702 -15.959 0.164 1.00 0.00 N ATOM 232 NH2 ARG A 17 -20.546 -18.046 -0.096 1.00 0.00 N ATOM 0 H ARG A 17 -15.799 -13.998 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.289 -16.610 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.721 -15.115 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.278 -16.629 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.180 -17.770 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.467 -16.255 -1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.300 -17.483 0.590 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.230 -16.013 0.380 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.177 -18.789 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.903 -15.327 0.221 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.650 -15.592 0.249 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -20.414 -19.047 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.487 -17.663 -0.009 1.00 0.00 H new ATOM 246 N PRO A 18 -17.791 -15.650 -5.932 1.00 0.00 N ATOM 247 CA PRO A 18 -18.705 -15.106 -6.985 1.00 0.00 C ATOM 248 C PRO A 18 -20.171 -15.429 -6.717 1.00 0.00 C ATOM 249 O PRO A 18 -20.500 -16.160 -5.779 1.00 0.00 O ATOM 250 CB PRO A 18 -18.227 -15.786 -8.258 1.00 0.00 C ATOM 251 CG PRO A 18 -17.712 -17.106 -7.809 1.00 0.00 C ATOM 252 CD PRO A 18 -17.069 -16.860 -6.448 1.00 0.00 C ATOM 0 HA PRO A 18 -18.666 -14.018 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.040 -15.901 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.448 -15.203 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.518 -17.836 -7.734 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.986 -17.504 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.195 -17.716 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.998 -16.680 -6.537 1.00 0.00 H new ATOM 260 N GLY A 19 -21.044 -14.863 -7.553 1.00 0.00 N ATOM 261 CA GLY A 19 -22.495 -15.067 -7.428 1.00 0.00 C ATOM 262 C GLY A 19 -23.296 -13.791 -7.761 1.00 0.00 C ATOM 263 O GLY A 19 -24.506 -13.737 -7.515 1.00 0.00 O ATOM 0 H GLY A 19 -20.773 -14.257 -8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.805 -15.872 -8.094 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.729 -15.385 -6.412 1.00 0.00 H new ATOM 267 N GLY A 20 -22.618 -12.770 -8.322 1.00 0.00 N ATOM 268 CA GLY A 20 -23.272 -11.511 -8.681 1.00 0.00 C ATOM 269 C GLY A 20 -23.647 -10.695 -7.440 1.00 0.00 C ATOM 270 O GLY A 20 -24.579 -9.885 -7.481 1.00 0.00 O ATOM 0 H GLY A 20 -21.620 -12.799 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.608 -10.924 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.169 -11.720 -9.264 1.00 0.00 H new ATOM 274 N VAL A 21 -22.919 -10.920 -6.335 1.00 0.00 N ATOM 275 CA VAL A 21 -23.177 -10.216 -5.079 1.00 0.00 C ATOM 276 C VAL A 21 -21.974 -9.374 -4.710 1.00 0.00 C ATOM 277 O VAL A 21 -20.854 -9.887 -4.592 1.00 0.00 O ATOM 278 CB VAL A 21 -23.489 -11.231 -3.947 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.788 -10.499 -2.623 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.705 -12.089 -4.333 1.00 0.00 C ATOM 0 H VAL A 21 -22.147 -11.586 -6.291 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.042 -9.565 -5.208 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.615 -11.867 -3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -24.004 -11.230 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.922 -9.904 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.650 -9.845 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.918 -12.799 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.571 -11.445 -4.486 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.490 -12.632 -5.253 1.00 0.00 H new ATOM 290 N VAL A 22 -22.222 -8.088 -4.507 1.00 0.00 N ATOM 291 CA VAL A 22 -21.185 -7.165 -4.127 1.00 0.00 C ATOM 292 C VAL A 22 -20.747 -7.435 -2.706 1.00 0.00 C ATOM 293 O VAL A 22 -21.562 -7.397 -1.776 1.00 0.00 O ATOM 294 CB VAL A 22 -21.670 -5.713 -4.268 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.978 -5.413 -5.729 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.927 -5.459 -3.408 1.00 0.00 C ATOM 0 H VAL A 22 -23.146 -7.666 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.334 -7.307 -4.793 1.00 0.00 H new ATOM 0 HB VAL A 22 -20.877 -5.053 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.321 -4.383 -5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.077 -5.552 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -22.756 -6.089 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.247 -4.424 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -23.728 -6.126 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -22.695 -5.648 -2.360 1.00 0.00 H new ATOM 306 N HIS A 23 -19.457 -7.709 -2.542 1.00 0.00 N ATOM 307 CA HIS A 23 -18.895 -7.989 -1.227 1.00 0.00 C ATOM 308 C HIS A 23 -17.877 -6.936 -0.854 1.00 0.00 C ATOM 309 O HIS A 23 -17.042 -6.546 -1.676 1.00 0.00 O ATOM 310 CB HIS A 23 -18.226 -9.371 -1.201 1.00 0.00 C ATOM 311 CG HIS A 23 -19.239 -10.449 -1.496 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.237 -10.794 -0.598 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.412 -11.268 -2.582 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.958 -11.784 -1.158 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.497 -12.109 -2.367 1.00 0.00 N ATOM 0 H HIS A 23 -18.781 -7.743 -3.305 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.712 -7.976 -0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.422 -9.407 -1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.773 -9.545 -0.225 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.396 -10.375 0.318 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.798 -11.261 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.806 -12.257 -0.686 1.00 0.00 H new ATOM 323 N SER A 24 -17.939 -6.499 0.398 1.00 0.00 N ATOM 324 CA SER A 24 -17.007 -5.502 0.915 1.00 0.00 C ATOM 325 C SER A 24 -16.133 -6.103 2.003 1.00 0.00 C ATOM 326 O SER A 24 -16.640 -6.661 2.982 1.00 0.00 O ATOM 327 CB SER A 24 -17.770 -4.302 1.473 1.00 0.00 C ATOM 328 OG SER A 24 -18.495 -3.674 0.422 1.00 0.00 O ATOM 0 H SER A 24 -18.628 -6.821 1.078 1.00 0.00 H new ATOM 0 HA SER A 24 -16.371 -5.171 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.453 -4.625 2.259 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.076 -3.594 1.925 1.00 0.00 H new ATOM 0 HG SER A 24 -18.987 -2.905 0.778 1.00 0.00 H new ATOM 334 N PHE A 25 -14.819 -5.962 1.835 1.00 0.00 N ATOM 335 CA PHE A 25 -13.854 -6.463 2.809 1.00 0.00 C ATOM 336 C PHE A 25 -12.861 -5.359 3.149 1.00 0.00 C ATOM 337 O PHE A 25 -12.164 -4.847 2.267 1.00 0.00 O ATOM 338 CB PHE A 25 -13.117 -7.693 2.243 1.00 0.00 C ATOM 339 CG PHE A 25 -12.233 -8.307 3.315 1.00 0.00 C ATOM 340 CD1 PHE A 25 -12.782 -9.193 4.251 1.00 0.00 C ATOM 341 CD2 PHE A 25 -10.871 -7.988 3.369 1.00 0.00 C ATOM 342 CE1 PHE A 25 -11.968 -9.758 5.240 1.00 0.00 C ATOM 343 CE2 PHE A 25 -10.058 -8.553 4.358 1.00 0.00 C ATOM 344 CZ PHE A 25 -10.607 -9.439 5.294 1.00 0.00 C ATOM 0 H PHE A 25 -14.398 -5.502 1.028 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.378 -6.765 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.839 -8.429 1.890 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.512 -7.402 1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.833 -9.440 4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.447 -7.306 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.391 -10.441 5.962 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -9.007 -8.306 4.400 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.980 -9.876 6.057 1.00 0.00 H new ATOM 354 N SER A 26 -12.829 -4.974 4.426 1.00 0.00 N ATOM 355 CA SER A 26 -11.954 -3.900 4.884 1.00 0.00 C ATOM 356 C SER A 26 -10.789 -4.450 5.692 1.00 0.00 C ATOM 357 O SER A 26 -10.788 -5.626 6.075 1.00 0.00 O ATOM 358 CB SER A 26 -12.744 -2.912 5.728 1.00 0.00 C ATOM 359 OG SER A 26 -13.008 -3.486 7.002 1.00 0.00 O ATOM 0 H SER A 26 -13.401 -5.392 5.160 1.00 0.00 H new ATOM 0 HA SER A 26 -11.553 -3.391 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.183 -1.985 5.844 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.680 -2.658 5.230 1.00 0.00 H new ATOM 0 HG SER A 26 -13.516 -2.850 7.548 1.00 0.00 H new ATOM 365 N HIS A 27 -9.802 -3.589 5.956 1.00 0.00 N ATOM 366 CA HIS A 27 -8.624 -3.981 6.731 1.00 0.00 C ATOM 367 C HIS A 27 -8.044 -2.790 7.488 1.00 0.00 C ATOM 368 O HIS A 27 -8.000 -1.669 6.971 1.00 0.00 O ATOM 369 CB HIS A 27 -7.555 -4.595 5.815 1.00 0.00 C ATOM 370 CG HIS A 27 -6.488 -5.255 6.655 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.457 -4.535 7.240 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.290 -6.561 7.027 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.692 -5.405 7.926 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.157 -6.653 7.830 1.00 0.00 N ATOM 0 H HIS A 27 -9.796 -2.618 5.644 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.937 -4.730 7.458 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.010 -5.326 5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.112 -3.822 5.187 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.306 -3.529 7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.918 -7.391 6.740 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.811 -5.128 8.485 1.00 0.00 H new ATOM 382 N ASN A 28 -7.591 -3.054 8.715 1.00 0.00 N ATOM 383 CA ASN A 28 -7.000 -2.030 9.570 1.00 0.00 C ATOM 384 C ASN A 28 -5.980 -2.656 10.515 1.00 0.00 C ATOM 385 O ASN A 28 -5.931 -3.883 10.657 1.00 0.00 O ATOM 386 CB ASN A 28 -8.094 -1.304 10.374 1.00 0.00 C ATOM 387 CG ASN A 28 -8.768 -2.250 11.384 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.666 -3.476 11.271 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.455 -1.743 12.372 1.00 0.00 N ATOM 0 H ASN A 28 -7.624 -3.981 9.140 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.492 -1.302 8.938 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.658 -0.456 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.844 -0.903 9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.906 -2.359 13.048 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.541 -0.731 12.467 1.00 0.00 H new ATOM 396 N VAL A 29 -5.164 -1.811 11.157 1.00 0.00 N ATOM 397 CA VAL A 29 -4.132 -2.298 12.092 1.00 0.00 C ATOM 398 C VAL A 29 -4.245 -1.603 13.443 1.00 0.00 C ATOM 399 O VAL A 29 -4.878 -0.551 13.557 1.00 0.00 O ATOM 400 CB VAL A 29 -2.721 -2.122 11.498 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.594 -2.978 10.235 1.00 0.00 C ATOM 402 CG2 VAL A 29 -2.474 -0.646 11.139 1.00 0.00 C ATOM 0 H VAL A 29 -5.194 -0.797 11.051 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.300 -3.364 12.249 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.983 -2.436 12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.597 -2.856 9.812 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.755 -4.026 10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.339 -2.662 9.505 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.474 -0.536 10.720 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.212 -0.322 10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.561 -0.034 12.037 1.00 0.00 H new ATOM 412 N GLY A 30 -3.683 -2.240 14.482 1.00 0.00 N ATOM 413 CA GLY A 30 -3.787 -1.736 15.862 1.00 0.00 C ATOM 414 C GLY A 30 -3.548 -0.209 15.946 1.00 0.00 C ATOM 415 O GLY A 30 -4.498 0.541 16.174 1.00 0.00 O ATOM 0 H GLY A 30 -3.151 -3.106 14.393 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.775 -1.970 16.259 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.061 -2.251 16.491 1.00 0.00 H new ATOM 419 N PRO A 31 -2.309 0.278 15.744 1.00 0.00 N ATOM 420 CA PRO A 31 -2.020 1.755 15.783 1.00 0.00 C ATOM 421 C PRO A 31 -2.893 2.516 14.781 1.00 0.00 C ATOM 422 O PRO A 31 -3.355 3.626 15.053 1.00 0.00 O ATOM 423 CB PRO A 31 -0.542 1.836 15.376 1.00 0.00 C ATOM 424 CG PRO A 31 0.027 0.513 15.757 1.00 0.00 C ATOM 425 CD PRO A 31 -1.071 -0.500 15.468 1.00 0.00 C ATOM 0 HA PRO A 31 -2.227 2.199 16.757 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.435 2.020 14.307 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.033 2.650 15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.926 0.292 15.182 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.310 0.496 16.810 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.036 -0.854 14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.992 -1.378 16.109 1.00 0.00 H new ATOM 433 N GLY A 32 -3.081 1.904 13.616 1.00 0.00 N ATOM 434 CA GLY A 32 -3.863 2.494 12.527 1.00 0.00 C ATOM 435 C GLY A 32 -5.337 2.063 12.547 1.00 0.00 C ATOM 436 O GLY A 32 -5.938 1.886 11.481 1.00 0.00 O ATOM 0 H GLY A 32 -2.697 0.985 13.397 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.807 3.581 12.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.420 2.210 11.573 1.00 0.00 H new ATOM 440 N ASP A 33 -5.924 1.906 13.748 1.00 0.00 N ATOM 441 CA ASP A 33 -7.345 1.506 13.852 1.00 0.00 C ATOM 442 C ASP A 33 -8.248 2.532 13.169 1.00 0.00 C ATOM 443 O ASP A 33 -9.244 2.171 12.533 1.00 0.00 O ATOM 444 CB ASP A 33 -7.770 1.359 15.325 1.00 0.00 C ATOM 445 CG ASP A 33 -7.176 0.092 15.975 1.00 0.00 C ATOM 446 OD1 ASP A 33 -6.707 -0.779 15.252 1.00 0.00 O ATOM 447 OD2 ASP A 33 -7.205 0.016 17.192 1.00 0.00 O ATOM 0 H ASP A 33 -5.453 2.045 14.642 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.451 0.543 13.352 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.449 2.238 15.884 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.858 1.322 15.386 1.00 0.00 H new ATOM 452 N LYS A 34 -7.871 3.804 13.280 1.00 0.00 N ATOM 453 CA LYS A 34 -8.610 4.898 12.653 1.00 0.00 C ATOM 454 C LYS A 34 -8.604 4.764 11.134 1.00 0.00 C ATOM 455 O LYS A 34 -9.580 5.113 10.464 1.00 0.00 O ATOM 456 CB LYS A 34 -7.988 6.245 13.035 1.00 0.00 C ATOM 457 CG LYS A 34 -8.310 6.602 14.501 1.00 0.00 C ATOM 458 CD LYS A 34 -7.137 6.245 15.420 1.00 0.00 C ATOM 459 CE LYS A 34 -5.990 7.249 15.226 1.00 0.00 C ATOM 460 NZ LYS A 34 -4.881 6.924 16.168 1.00 0.00 N ATOM 0 H LYS A 34 -7.049 4.105 13.804 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.639 4.850 13.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.908 6.204 12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.366 7.025 12.375 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.529 7.667 14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.204 6.068 14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.464 6.251 16.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.788 5.236 15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.630 7.213 14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.347 8.264 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.104 7.603 16.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.229 6.980 17.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.535 5.962 15.978 1.00 0.00 H new ATOM 474 N TYR A 35 -7.464 4.325 10.599 1.00 0.00 N ATOM 475 CA TYR A 35 -7.270 4.219 9.145 1.00 0.00 C ATOM 476 C TYR A 35 -7.568 2.806 8.648 1.00 0.00 C ATOM 477 O TYR A 35 -7.150 1.822 9.266 1.00 0.00 O ATOM 478 CB TYR A 35 -5.826 4.590 8.791 1.00 0.00 C ATOM 479 CG TYR A 35 -5.571 6.043 9.133 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.122 6.391 10.414 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.778 7.038 8.173 1.00 0.00 C ATOM 482 CE1 TYR A 35 -4.881 7.731 10.732 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.537 8.378 8.495 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.089 8.723 9.773 1.00 0.00 C ATOM 485 OH TYR A 35 -4.849 10.044 10.088 1.00 0.00 O ATOM 0 H TYR A 35 -6.656 4.035 11.150 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.962 4.906 8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.132 3.951 9.338 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.647 4.420 7.729 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.962 5.623 11.156 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.123 6.773 7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.534 7.998 11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.698 9.147 7.754 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.138 10.096 10.761 1.00 0.00 H new ATOM 495 N THR A 36 -8.297 2.714 7.520 1.00 0.00 N ATOM 496 CA THR A 36 -8.651 1.411 6.937 1.00 0.00 C ATOM 497 C THR A 36 -8.912 1.506 5.424 1.00 0.00 C ATOM 498 O THR A 36 -9.382 2.532 4.930 1.00 0.00 O ATOM 499 CB THR A 36 -9.883 0.822 7.655 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.194 -0.449 7.102 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.092 1.759 7.507 1.00 0.00 C ATOM 0 H THR A 36 -8.648 3.519 7.001 1.00 0.00 H new ATOM 0 HA THR A 36 -7.798 0.747 7.080 1.00 0.00 H new ATOM 0 HB THR A 36 -9.652 0.714 8.715 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.376 -0.864 6.757 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.952 1.327 8.020 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.857 2.729 7.946 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.326 1.887 6.450 1.00 0.00 H new ATOM 509 N CYS A 37 -8.658 0.396 4.711 1.00 0.00 N ATOM 510 CA CYS A 37 -8.922 0.315 3.267 1.00 0.00 C ATOM 511 C CYS A 37 -10.074 -0.655 3.007 1.00 0.00 C ATOM 512 O CYS A 37 -9.989 -1.827 3.386 1.00 0.00 O ATOM 513 CB CYS A 37 -7.675 -0.192 2.505 1.00 0.00 C ATOM 514 SG CYS A 37 -6.287 0.959 2.702 1.00 0.00 S ATOM 0 H CYS A 37 -8.270 -0.457 5.113 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.177 1.315 2.915 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.392 -1.177 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.911 -0.306 1.447 1.00 0.00 H new ATOM 519 N MET A 38 -11.133 -0.181 2.321 1.00 0.00 N ATOM 520 CA MET A 38 -12.266 -1.045 1.983 1.00 0.00 C ATOM 521 C MET A 38 -12.197 -1.464 0.552 1.00 0.00 C ATOM 522 O MET A 38 -11.775 -0.690 -0.317 1.00 0.00 O ATOM 523 CB MET A 38 -13.607 -0.370 2.227 1.00 0.00 C ATOM 524 CG MET A 38 -13.740 0.007 3.694 1.00 0.00 C ATOM 525 SD MET A 38 -15.472 0.433 4.068 1.00 0.00 S ATOM 526 CE MET A 38 -15.641 1.845 2.947 1.00 0.00 C ATOM 0 H MET A 38 -11.221 0.782 1.997 1.00 0.00 H new ATOM 0 HA MET A 38 -12.195 -1.914 2.638 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.694 0.521 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.418 -1.039 1.940 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.416 -0.822 4.323 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.091 0.852 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.578 2.363 3.152 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.807 2.531 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 38 -15.640 1.493 1.915 1.00 0.00 H new ATOM 536 N PHE A 39 -12.607 -2.695 0.306 1.00 0.00 N ATOM 537 CA PHE A 39 -12.593 -3.247 -1.048 1.00 0.00 C ATOM 538 C PHE A 39 -13.947 -3.837 -1.405 1.00 0.00 C ATOM 539 O PHE A 39 -14.320 -4.905 -0.908 1.00 0.00 O ATOM 540 CB PHE A 39 -11.495 -4.317 -1.179 1.00 0.00 C ATOM 541 CG PHE A 39 -10.145 -3.704 -0.831 1.00 0.00 C ATOM 542 CD1 PHE A 39 -9.541 -3.998 0.400 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.516 -2.836 -1.730 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.307 -3.426 0.728 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.278 -2.265 -1.401 1.00 0.00 C ATOM 546 CZ PHE A 39 -7.675 -2.560 -0.172 1.00 0.00 C ATOM 0 H PHE A 39 -12.954 -3.335 1.020 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.378 -2.436 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.708 -5.155 -0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.476 -4.712 -2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.028 -4.666 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.983 -2.606 -2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.842 -3.653 1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.790 -1.598 -2.096 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.722 -2.119 0.081 1.00 0.00 H new ATOM 556 N THR A 40 -14.662 -3.150 -2.294 1.00 0.00 N ATOM 557 CA THR A 40 -15.969 -3.607 -2.760 1.00 0.00 C ATOM 558 C THR A 40 -15.837 -4.129 -4.189 1.00 0.00 C ATOM 559 O THR A 40 -15.230 -3.479 -5.035 1.00 0.00 O ATOM 560 CB THR A 40 -16.991 -2.446 -2.690 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.090 -1.994 -1.346 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.377 -2.920 -3.162 1.00 0.00 C ATOM 0 H THR A 40 -14.355 -2.270 -2.708 1.00 0.00 H new ATOM 0 HA THR A 40 -16.328 -4.413 -2.121 1.00 0.00 H new ATOM 0 HB THR A 40 -16.652 -1.638 -3.338 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.596 -2.646 -0.818 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.083 -2.092 -3.106 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.310 -3.271 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.721 -3.733 -2.523 1.00 0.00 H new ATOM 570 N TYR A 41 -16.353 -5.336 -4.427 1.00 0.00 N ATOM 571 CA TYR A 41 -16.242 -5.968 -5.747 1.00 0.00 C ATOM 572 C TYR A 41 -17.387 -6.940 -6.015 1.00 0.00 C ATOM 573 O TYR A 41 -18.039 -7.426 -5.086 1.00 0.00 O ATOM 574 CB TYR A 41 -14.882 -6.689 -5.887 1.00 0.00 C ATOM 575 CG TYR A 41 -14.725 -7.733 -4.795 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.222 -9.025 -4.981 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.084 -7.395 -3.597 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.080 -9.981 -3.967 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.941 -8.349 -2.584 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.439 -9.643 -2.769 1.00 0.00 C ATOM 581 OH TYR A 41 -14.299 -10.590 -1.771 1.00 0.00 O ATOM 0 H TYR A 41 -16.848 -5.893 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.305 -5.175 -6.493 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -14.813 -7.163 -6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.070 -5.964 -5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.715 -9.287 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.699 -6.396 -3.455 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.465 -10.980 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.447 -8.087 -1.660 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.831 -10.193 -1.007 1.00 0.00 H new ATOM 591 N ALA A 42 -17.604 -7.232 -7.301 1.00 0.00 N ATOM 592 CA ALA A 42 -18.649 -8.166 -7.723 1.00 0.00 C ATOM 593 C ALA A 42 -18.100 -9.128 -8.774 1.00 0.00 C ATOM 594 O ALA A 42 -17.394 -8.705 -9.702 1.00 0.00 O ATOM 595 CB ALA A 42 -19.847 -7.399 -8.287 1.00 0.00 C ATOM 0 H ALA A 42 -17.066 -6.832 -8.070 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.977 -8.740 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.617 -8.105 -8.597 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.249 -6.737 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.529 -6.808 -9.146 1.00 0.00 H new ATOM 601 N SER A 43 -18.388 -10.430 -8.600 1.00 0.00 N ATOM 602 CA SER A 43 -17.874 -11.457 -9.511 1.00 0.00 C ATOM 603 C SER A 43 -18.929 -12.501 -9.855 1.00 0.00 C ATOM 604 O SER A 43 -19.896 -12.694 -9.118 1.00 0.00 O ATOM 605 CB SER A 43 -16.653 -12.145 -8.890 1.00 0.00 C ATOM 606 OG SER A 43 -15.642 -11.174 -8.611 1.00 0.00 O ATOM 0 H SER A 43 -18.969 -10.790 -7.843 1.00 0.00 H new ATOM 0 HA SER A 43 -17.589 -10.956 -10.436 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.941 -12.658 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.265 -12.903 -9.571 1.00 0.00 H new ATOM 0 HG SER A 43 -14.836 -11.383 -9.129 1.00 0.00 H new ATOM 612 N GLN A 44 -18.702 -13.193 -10.972 1.00 0.00 N ATOM 613 CA GLN A 44 -19.589 -14.258 -11.433 1.00 0.00 C ATOM 614 C GLN A 44 -18.776 -15.516 -11.758 1.00 0.00 C ATOM 615 O GLN A 44 -17.773 -15.449 -12.477 1.00 0.00 O ATOM 616 CB GLN A 44 -20.366 -13.799 -12.677 1.00 0.00 C ATOM 617 CG GLN A 44 -21.448 -14.832 -13.046 1.00 0.00 C ATOM 618 CD GLN A 44 -22.485 -14.954 -11.927 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.084 -13.957 -11.522 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.733 -16.124 -11.402 1.00 0.00 N ATOM 0 H GLN A 44 -17.900 -13.030 -11.580 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.299 -14.491 -10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.829 -12.830 -12.488 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.680 -13.667 -13.514 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.939 -14.536 -13.973 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.985 -15.802 -13.227 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.237 -16.949 -11.738 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.423 -16.212 -10.656 1.00 0.00 H new ATOM 629 N GLY A 45 -19.205 -16.650 -11.203 1.00 0.00 N ATOM 630 CA GLY A 45 -18.520 -17.924 -11.396 1.00 0.00 C ATOM 631 C GLY A 45 -18.986 -18.933 -10.356 1.00 0.00 C ATOM 632 O GLY A 45 -19.892 -18.643 -9.567 1.00 0.00 O ATOM 0 H GLY A 45 -20.033 -16.709 -10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.719 -18.305 -12.398 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.442 -17.781 -11.318 1.00 0.00 H new ATOM 636 N GLY A 46 -18.373 -20.122 -10.363 1.00 0.00 N ATOM 637 CA GLY A 46 -18.745 -21.183 -9.415 1.00 0.00 C ATOM 638 C GLY A 46 -17.603 -21.558 -8.450 1.00 0.00 C ATOM 639 O GLY A 46 -17.792 -22.411 -7.576 1.00 0.00 O ATOM 0 H GLY A 46 -17.624 -20.374 -11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.610 -20.858 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -19.048 -22.070 -9.972 1.00 0.00 H new ATOM 643 N THR A 47 -16.421 -20.933 -8.618 1.00 0.00 N ATOM 644 CA THR A 47 -15.268 -21.236 -7.757 1.00 0.00 C ATOM 645 C THR A 47 -14.630 -19.954 -7.227 1.00 0.00 C ATOM 646 O THR A 47 -14.344 -19.030 -7.996 1.00 0.00 O ATOM 647 CB THR A 47 -14.230 -22.068 -8.544 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.858 -23.241 -9.044 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.065 -22.478 -7.626 1.00 0.00 C ATOM 0 H THR A 47 -16.244 -20.226 -9.332 1.00 0.00 H new ATOM 0 HA THR A 47 -15.617 -21.816 -6.903 1.00 0.00 H new ATOM 0 HB THR A 47 -13.842 -21.465 -9.365 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.205 -23.773 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.342 -23.063 -8.195 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.580 -21.585 -7.233 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.447 -23.077 -6.799 1.00 0.00 H new ATOM 657 N ASN A 48 -14.372 -19.923 -5.911 1.00 0.00 N ATOM 658 CA ASN A 48 -13.725 -18.777 -5.292 1.00 0.00 C ATOM 659 C ASN A 48 -12.208 -18.864 -5.463 1.00 0.00 C ATOM 660 O ASN A 48 -11.704 -19.823 -6.059 1.00 0.00 O ATOM 661 CB ASN A 48 -14.098 -18.679 -3.802 1.00 0.00 C ATOM 662 CG ASN A 48 -13.607 -19.910 -3.018 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.746 -20.662 -3.485 1.00 0.00 O ATOM 664 ND2 ASN A 48 -14.113 -20.156 -1.841 1.00 0.00 N ATOM 0 H ASN A 48 -14.603 -20.678 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.078 -17.874 -5.790 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.662 -17.776 -3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.180 -18.589 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -13.797 -20.967 -1.310 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.824 -19.537 -1.452 1.00 0.00 H new ATOM 671 N GLU A 49 -11.488 -17.848 -4.963 1.00 0.00 N ATOM 672 CA GLU A 49 -10.041 -17.803 -5.092 1.00 0.00 C ATOM 673 C GLU A 49 -9.403 -17.078 -3.917 1.00 0.00 C ATOM 674 O GLU A 49 -10.029 -16.219 -3.288 1.00 0.00 O ATOM 675 CB GLU A 49 -9.658 -17.113 -6.400 1.00 0.00 C ATOM 676 CG GLU A 49 -8.193 -17.403 -6.748 1.00 0.00 C ATOM 677 CD GLU A 49 -7.983 -18.896 -7.011 1.00 0.00 C ATOM 678 OE1 GLU A 49 -7.683 -19.608 -6.067 1.00 0.00 O ATOM 679 OE2 GLU A 49 -8.127 -19.301 -8.153 1.00 0.00 O ATOM 0 H GLU A 49 -11.892 -17.053 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.669 -18.828 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.305 -17.461 -7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.811 -16.038 -6.310 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.903 -16.830 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.549 -17.079 -5.930 1.00 0.00 H new ATOM 686 N GLN A 50 -8.146 -17.423 -3.639 1.00 0.00 N ATOM 687 CA GLN A 50 -7.397 -16.800 -2.555 1.00 0.00 C ATOM 688 C GLN A 50 -6.393 -15.787 -3.096 1.00 0.00 C ATOM 689 O GLN A 50 -5.441 -16.147 -3.794 1.00 0.00 O ATOM 690 CB GLN A 50 -6.665 -17.862 -1.737 1.00 0.00 C ATOM 691 CG GLN A 50 -7.683 -18.755 -1.028 1.00 0.00 C ATOM 692 CD GLN A 50 -6.961 -19.823 -0.215 1.00 0.00 C ATOM 693 OE1 GLN A 50 -6.149 -20.574 -0.756 1.00 0.00 O ATOM 694 NE2 GLN A 50 -7.208 -19.936 1.063 1.00 0.00 N ATOM 0 H GLN A 50 -7.626 -18.134 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.107 -16.278 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.030 -18.463 -2.388 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -6.012 -17.386 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.314 -18.153 -0.374 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.339 -19.225 -1.760 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.881 -19.313 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.728 -20.647 1.614 1.00 0.00 H new ATOM 703 N TRP A 51 -6.600 -14.529 -2.728 1.00 0.00 N ATOM 704 CA TRP A 51 -5.714 -13.432 -3.119 1.00 0.00 C ATOM 705 C TRP A 51 -4.941 -12.929 -1.907 1.00 0.00 C ATOM 706 O TRP A 51 -5.437 -13.005 -0.783 1.00 0.00 O ATOM 707 CB TRP A 51 -6.525 -12.277 -3.725 1.00 0.00 C ATOM 708 CG TRP A 51 -6.990 -12.632 -5.109 1.00 0.00 C ATOM 709 CD1 TRP A 51 -7.856 -13.627 -5.416 1.00 0.00 C ATOM 710 CD2 TRP A 51 -6.634 -11.989 -6.371 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.043 -13.644 -6.797 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.309 -12.646 -7.427 1.00 0.00 C ATOM 713 CE3 TRP A 51 -5.791 -10.908 -6.695 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.151 -12.240 -8.766 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -5.634 -10.500 -8.032 1.00 0.00 C ATOM 716 CH2 TRP A 51 -6.311 -11.165 -9.062 1.00 0.00 C ATOM 0 H TRP A 51 -7.387 -14.237 -2.149 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.014 -13.804 -3.867 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.384 -12.056 -3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.914 -11.375 -3.760 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.324 -14.296 -4.709 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.645 -14.307 -7.285 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.261 -10.388 -5.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.675 -12.756 -9.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.987 -9.668 -8.266 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.183 -10.846 -10.086 1.00 0.00 H new ATOM 727 N GLN A 52 -3.728 -12.402 -2.142 1.00 0.00 N ATOM 728 CA GLN A 52 -2.897 -11.873 -1.049 1.00 0.00 C ATOM 729 C GLN A 52 -3.022 -10.369 -0.982 1.00 0.00 C ATOM 730 O GLN A 52 -3.053 -9.693 -2.017 1.00 0.00 O ATOM 731 CB GLN A 52 -1.418 -12.229 -1.254 1.00 0.00 C ATOM 732 CG GLN A 52 -1.235 -13.755 -1.298 1.00 0.00 C ATOM 733 CD GLN A 52 -1.377 -14.378 0.107 1.00 0.00 C ATOM 734 OE1 GLN A 52 -1.484 -13.663 1.114 1.00 0.00 O ATOM 735 NE2 GLN A 52 -1.366 -15.677 0.232 1.00 0.00 N ATOM 0 H GLN A 52 -3.305 -12.331 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.249 -12.324 -0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.056 -11.786 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.821 -11.808 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.974 -14.193 -1.969 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.253 -13.994 -1.706 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.278 -16.268 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.445 -16.101 1.156 1.00 0.00 H new ATOM 744 N MET A 53 -3.069 -9.845 0.241 1.00 0.00 N ATOM 745 CA MET A 53 -3.163 -8.406 0.458 1.00 0.00 C ATOM 746 C MET A 53 -2.023 -7.962 1.325 1.00 0.00 C ATOM 747 O MET A 53 -1.642 -8.671 2.251 1.00 0.00 O ATOM 748 CB MET A 53 -4.480 -8.035 1.151 1.00 0.00 C ATOM 749 CG MET A 53 -5.666 -8.485 0.307 1.00 0.00 C ATOM 750 SD MET A 53 -7.196 -7.800 1.004 1.00 0.00 S ATOM 751 CE MET A 53 -7.258 -8.798 2.524 1.00 0.00 C ATOM 0 H MET A 53 -3.043 -10.398 1.098 1.00 0.00 H new ATOM 0 HA MET A 53 -3.126 -7.912 -0.513 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.526 -8.503 2.134 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.525 -6.957 1.309 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.541 -8.151 -0.723 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.719 -9.574 0.285 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.216 -9.314 2.582 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.451 -9.531 2.511 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.143 -8.148 3.391 1.00 0.00 H new ATOM 761 N SER A 54 -1.499 -6.774 1.048 1.00 0.00 N ATOM 762 CA SER A 54 -0.416 -6.220 1.854 1.00 0.00 C ATOM 763 C SER A 54 -0.654 -4.752 2.116 1.00 0.00 C ATOM 764 O SER A 54 -1.086 -4.023 1.223 1.00 0.00 O ATOM 765 CB SER A 54 0.923 -6.403 1.146 1.00 0.00 C ATOM 766 OG SER A 54 0.923 -5.650 -0.060 1.00 0.00 O ATOM 0 H SER A 54 -1.803 -6.179 0.277 1.00 0.00 H new ATOM 0 HA SER A 54 -0.391 -6.753 2.805 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.737 -6.076 1.793 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.092 -7.458 0.930 1.00 0.00 H new ATOM 0 HG SER A 54 0.577 -6.203 -0.791 1.00 0.00 H new ATOM 772 N LEU A 55 -0.353 -4.314 3.341 1.00 0.00 N ATOM 773 CA LEU A 55 -0.530 -2.907 3.702 1.00 0.00 C ATOM 774 C LEU A 55 0.540 -2.459 4.673 1.00 0.00 C ATOM 775 O LEU A 55 1.057 -3.261 5.460 1.00 0.00 O ATOM 776 CB LEU A 55 -1.929 -2.658 4.301 1.00 0.00 C ATOM 777 CG LEU A 55 -2.173 -3.584 5.532 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.065 -2.869 6.559 1.00 0.00 C ATOM 779 CD2 LEU A 55 -2.868 -4.886 5.080 1.00 0.00 C ATOM 0 H LEU A 55 0.009 -4.904 4.090 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.438 -2.320 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.021 -1.614 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.692 -2.841 3.545 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.211 -3.821 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.230 -3.523 7.415 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.576 -1.953 6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.023 -2.623 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.035 -5.528 5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.825 -4.646 4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.236 -5.405 4.360 1.00 0.00 H new ATOM 791 N GLY A 56 0.872 -1.171 4.609 1.00 0.00 N ATOM 792 CA GLY A 56 1.894 -0.599 5.479 1.00 0.00 C ATOM 793 C GLY A 56 1.681 0.891 5.666 1.00 0.00 C ATOM 794 O GLY A 56 0.983 1.535 4.874 1.00 0.00 O ATOM 0 H GLY A 56 0.447 -0.505 3.963 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.871 -1.097 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.881 -0.778 5.052 1.00 0.00 H new ATOM 798 N THR A 57 2.285 1.431 6.722 1.00 0.00 N ATOM 799 CA THR A 57 2.169 2.854 7.038 1.00 0.00 C ATOM 800 C THR A 57 3.535 3.448 7.350 1.00 0.00 C ATOM 801 O THR A 57 4.465 2.727 7.727 1.00 0.00 O ATOM 802 CB THR A 57 1.232 3.062 8.240 1.00 0.00 C ATOM 803 OG1 THR A 57 1.770 2.401 9.378 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.162 2.502 7.930 1.00 0.00 C ATOM 0 H THR A 57 2.862 0.903 7.376 1.00 0.00 H new ATOM 0 HA THR A 57 1.753 3.360 6.167 1.00 0.00 H new ATOM 0 HB THR A 57 1.145 4.129 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.175 2.534 10.145 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.815 2.656 8.789 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.576 3.016 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.087 1.436 7.718 1.00 0.00 H new ATOM 812 N SER A 58 3.632 4.771 7.230 1.00 0.00 N ATOM 813 CA SER A 58 4.863 5.489 7.542 1.00 0.00 C ATOM 814 C SER A 58 5.155 5.403 9.035 1.00 0.00 C ATOM 815 O SER A 58 4.235 5.213 9.836 1.00 0.00 O ATOM 816 CB SER A 58 4.745 6.948 7.117 1.00 0.00 C ATOM 817 OG SER A 58 5.929 7.644 7.488 1.00 0.00 O ATOM 0 H SER A 58 2.867 5.369 6.917 1.00 0.00 H new ATOM 0 HA SER A 58 5.685 5.029 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.594 7.014 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.877 7.407 7.589 1.00 0.00 H new ATOM 0 HG SER A 58 5.744 8.213 8.264 1.00 0.00 H new ATOM 823 N GLU A 59 6.439 5.502 9.402 1.00 0.00 N ATOM 824 CA GLU A 59 6.839 5.410 10.813 1.00 0.00 C ATOM 825 C GLU A 59 6.107 6.456 11.669 1.00 0.00 C ATOM 826 O GLU A 59 5.775 6.192 12.829 1.00 0.00 O ATOM 827 CB GLU A 59 8.366 5.567 10.951 1.00 0.00 C ATOM 828 CG GLU A 59 8.813 6.942 10.420 1.00 0.00 C ATOM 829 CD GLU A 59 10.337 7.067 10.486 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.908 6.653 11.484 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.909 7.576 9.536 1.00 0.00 O ATOM 0 H GLU A 59 7.211 5.644 8.751 1.00 0.00 H new ATOM 0 HA GLU A 59 6.556 4.423 11.179 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.656 5.462 11.996 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.871 4.775 10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.475 7.070 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.350 7.735 11.008 1.00 0.00 H new ATOM 838 N ASP A 60 5.803 7.612 11.064 1.00 0.00 N ATOM 839 CA ASP A 60 5.039 8.667 11.747 1.00 0.00 C ATOM 840 C ASP A 60 3.554 8.668 11.307 1.00 0.00 C ATOM 841 O ASP A 60 2.796 9.574 11.664 1.00 0.00 O ATOM 842 CB ASP A 60 5.671 10.045 11.494 1.00 0.00 C ATOM 843 CG ASP A 60 5.681 10.377 10.000 1.00 0.00 C ATOM 844 OD1 ASP A 60 5.929 9.482 9.209 1.00 0.00 O ATOM 845 OD2 ASP A 60 5.443 11.527 9.671 1.00 0.00 O ATOM 0 H ASP A 60 6.073 7.841 10.107 1.00 0.00 H new ATOM 0 HA ASP A 60 5.072 8.456 12.816 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.115 10.809 12.036 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.690 10.058 11.880 1.00 0.00 H new ATOM 850 N HIS A 61 3.147 7.626 10.553 1.00 0.00 N ATOM 851 CA HIS A 61 1.765 7.476 10.092 1.00 0.00 C ATOM 852 C HIS A 61 1.310 8.675 9.246 1.00 0.00 C ATOM 853 O HIS A 61 0.119 9.012 9.212 1.00 0.00 O ATOM 854 CB HIS A 61 0.835 7.270 11.298 1.00 0.00 C ATOM 855 CG HIS A 61 1.182 5.963 11.970 1.00 0.00 C ATOM 856 ND1 HIS A 61 0.367 4.845 11.880 1.00 0.00 N ATOM 857 CD2 HIS A 61 2.268 5.577 12.718 1.00 0.00 C ATOM 858 CE1 HIS A 61 0.970 3.850 12.558 1.00 0.00 C ATOM 859 NE2 HIS A 61 2.130 4.244 13.089 1.00 0.00 N ATOM 0 H HIS A 61 3.767 6.874 10.252 1.00 0.00 H new ATOM 0 HA HIS A 61 1.715 6.598 9.448 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.943 8.095 12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.206 7.262 10.974 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.102 6.212 12.978 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.565 2.854 12.660 1.00 0.00 H new ATOM 0 HE2 HIS A 61 2.777 3.687 13.647 1.00 0.00 H new ATOM 867 N GLN A 62 2.263 9.274 8.519 1.00 0.00 N ATOM 868 CA GLN A 62 1.966 10.391 7.617 1.00 0.00 C ATOM 869 C GLN A 62 1.309 9.906 6.309 1.00 0.00 C ATOM 870 O GLN A 62 0.537 10.641 5.689 1.00 0.00 O ATOM 871 CB GLN A 62 3.240 11.210 7.321 1.00 0.00 C ATOM 872 CG GLN A 62 4.299 10.321 6.668 1.00 0.00 C ATOM 873 CD GLN A 62 5.536 11.142 6.322 1.00 0.00 C ATOM 874 OE1 GLN A 62 5.447 12.112 5.570 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.691 10.810 6.831 1.00 0.00 N ATOM 0 H GLN A 62 3.246 9.002 8.539 1.00 0.00 H new ATOM 0 HA GLN A 62 1.250 11.040 8.122 1.00 0.00 H new ATOM 0 HB2 GLN A 62 3.000 12.045 6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.631 11.635 8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.570 9.509 7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.894 9.863 5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.761 10.005 7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.523 11.355 6.606 1.00 0.00 H new ATOM 884 N HIS A 63 1.609 8.652 5.915 1.00 0.00 N ATOM 885 CA HIS A 63 1.031 8.059 4.700 1.00 0.00 C ATOM 886 C HIS A 63 0.535 6.634 4.949 1.00 0.00 C ATOM 887 O HIS A 63 1.101 5.898 5.760 1.00 0.00 O ATOM 888 CB HIS A 63 2.046 8.049 3.548 1.00 0.00 C ATOM 889 CG HIS A 63 2.402 9.454 3.150 1.00 0.00 C ATOM 890 ND1 HIS A 63 3.573 10.162 3.230 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 1.489 10.299 2.546 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 3.394 11.426 2.683 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 2.121 11.457 2.285 1.00 0.00 N flip ATOM 0 H HIS A 63 2.246 8.036 6.420 1.00 0.00 H new ATOM 0 HA HIS A 63 0.181 8.682 4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.944 7.512 3.851 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.630 7.517 2.693 1.00 0.00 H new ATOM 0 HD1 HIS A 63 4.444 9.813 3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.457 10.071 2.324 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.127 12.214 2.598 1.00 0.00 H new ATOM 901 N PHE A 64 -0.521 6.252 4.218 1.00 0.00 N ATOM 902 CA PHE A 64 -1.104 4.902 4.322 1.00 0.00 C ATOM 903 C PHE A 64 -1.163 4.242 2.941 1.00 0.00 C ATOM 904 O PHE A 64 -1.483 4.904 1.957 1.00 0.00 O ATOM 905 CB PHE A 64 -2.525 4.986 4.903 1.00 0.00 C ATOM 906 CG PHE A 64 -2.476 5.551 6.305 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.565 6.933 6.506 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.341 4.692 7.399 1.00 0.00 C ATOM 909 CE1 PHE A 64 -2.517 7.457 7.803 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.293 5.215 8.697 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.381 6.597 8.898 1.00 0.00 C ATOM 0 H PHE A 64 -0.992 6.858 3.546 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.475 4.304 4.981 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.149 5.616 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.981 3.996 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.671 7.596 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.274 3.625 7.243 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.585 8.524 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.188 4.552 9.543 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.344 7.000 9.899 1.00 0.00 H new ATOM 921 N THR A 65 -0.849 2.934 2.873 1.00 0.00 N ATOM 922 CA THR A 65 -0.883 2.204 1.590 1.00 0.00 C ATOM 923 C THR A 65 -1.562 0.835 1.719 1.00 0.00 C ATOM 924 O THR A 65 -1.361 0.116 2.706 1.00 0.00 O ATOM 925 CB THR A 65 0.541 2.018 1.048 1.00 0.00 C ATOM 926 OG1 THR A 65 1.322 1.302 1.995 1.00 0.00 O ATOM 927 CG2 THR A 65 1.178 3.382 0.775 1.00 0.00 C ATOM 0 H THR A 65 -0.573 2.369 3.676 1.00 0.00 H new ATOM 0 HA THR A 65 -1.471 2.805 0.896 1.00 0.00 H new ATOM 0 HB THR A 65 0.499 1.454 0.116 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.973 1.464 2.896 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.188 3.241 0.391 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.582 3.921 0.039 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.219 3.956 1.700 1.00 0.00 H new ATOM 935 N CYS A 66 -2.303 0.451 0.664 1.00 0.00 N ATOM 936 CA CYS A 66 -2.953 -0.863 0.591 1.00 0.00 C ATOM 937 C CYS A 66 -2.769 -1.468 -0.813 1.00 0.00 C ATOM 938 O CYS A 66 -2.953 -0.773 -1.817 1.00 0.00 O ATOM 939 CB CYS A 66 -4.447 -0.749 0.935 1.00 0.00 C ATOM 940 SG CYS A 66 -4.636 -0.229 2.672 1.00 0.00 S ATOM 0 H CYS A 66 -2.465 1.039 -0.153 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.484 -1.523 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.929 -0.028 0.274 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.941 -1.707 0.776 1.00 0.00 H new ATOM 945 N THR A 67 -2.360 -2.746 -0.873 1.00 0.00 N ATOM 946 CA THR A 67 -2.094 -3.419 -2.164 1.00 0.00 C ATOM 947 C THR A 67 -2.758 -4.811 -2.233 1.00 0.00 C ATOM 948 O THR A 67 -2.666 -5.598 -1.287 1.00 0.00 O ATOM 949 CB THR A 67 -0.572 -3.554 -2.365 1.00 0.00 C ATOM 950 OG1 THR A 67 0.025 -2.267 -2.267 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.243 -4.153 -3.752 1.00 0.00 C ATOM 0 H THR A 67 -2.206 -3.333 -0.053 1.00 0.00 H new ATOM 0 HA THR A 67 -2.525 -2.810 -2.959 1.00 0.00 H new ATOM 0 HB THR A 67 -0.181 -4.221 -1.596 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.994 -2.345 -2.392 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.838 -4.236 -3.865 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.694 -5.142 -3.838 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.641 -3.504 -4.532 1.00 0.00 H new ATOM 959 N ILE A 68 -3.404 -5.106 -3.379 1.00 0.00 N ATOM 960 CA ILE A 68 -4.061 -6.415 -3.588 1.00 0.00 C ATOM 961 C ILE A 68 -3.624 -7.035 -4.935 1.00 0.00 C ATOM 962 O ILE A 68 -3.776 -6.406 -5.988 1.00 0.00 O ATOM 963 CB ILE A 68 -5.606 -6.255 -3.581 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.053 -5.593 -2.260 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.271 -7.650 -3.699 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.522 -5.166 -2.359 1.00 0.00 C ATOM 0 H ILE A 68 -3.485 -4.464 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.760 -7.074 -2.773 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.906 -5.631 -4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.923 -6.290 -1.432 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.427 -4.726 -2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.355 -7.538 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.959 -8.124 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.967 -8.271 -2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.829 -4.700 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.639 -4.453 -3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.143 -6.041 -2.550 1.00 0.00 H new ATOM 978 N TRP A 69 -3.158 -8.295 -4.894 1.00 0.00 N ATOM 979 CA TRP A 69 -2.790 -9.022 -6.131 1.00 0.00 C ATOM 980 C TRP A 69 -2.828 -10.552 -5.920 1.00 0.00 C ATOM 981 O TRP A 69 -2.789 -11.031 -4.779 1.00 0.00 O ATOM 982 CB TRP A 69 -1.393 -8.569 -6.642 1.00 0.00 C ATOM 983 CG TRP A 69 -0.324 -9.006 -5.688 1.00 0.00 C ATOM 984 CD1 TRP A 69 0.485 -10.078 -5.864 1.00 0.00 C ATOM 985 CD2 TRP A 69 0.026 -8.433 -4.414 1.00 0.00 C ATOM 986 NE1 TRP A 69 1.326 -10.180 -4.774 1.00 0.00 N ATOM 987 CE2 TRP A 69 1.079 -9.189 -3.850 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.460 -7.332 -3.701 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.627 -8.867 -2.618 1.00 0.00 C ATOM 990 CZ3 TRP A 69 0.090 -7.002 -2.451 1.00 0.00 C ATOM 991 CH2 TRP A 69 1.134 -7.773 -1.914 1.00 0.00 C ATOM 0 H TRP A 69 -3.027 -8.828 -4.034 1.00 0.00 H new ATOM 0 HA TRP A 69 -3.530 -8.776 -6.892 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.204 -8.992 -7.629 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.372 -7.485 -6.751 1.00 0.00 H new ATOM 0 HD1 TRP A 69 0.474 -10.742 -6.715 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.041 -10.899 -4.666 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.260 -6.734 -4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.430 -9.461 -2.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.291 -6.154 -1.902 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.555 -7.516 -0.953 1.00 0.00 H new ATOM 1002 N ARG A 70 -2.856 -11.301 -7.031 1.00 0.00 N ATOM 1003 CA ARG A 70 -2.838 -12.765 -6.979 1.00 0.00 C ATOM 1004 C ARG A 70 -1.364 -13.264 -6.865 1.00 0.00 C ATOM 1005 O ARG A 70 -0.527 -12.862 -7.681 1.00 0.00 O ATOM 1006 CB ARG A 70 -3.500 -13.344 -8.244 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.563 -14.878 -8.155 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.676 -15.299 -7.185 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.646 -16.759 -6.964 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.205 -17.655 -7.817 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.796 -17.268 -8.927 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -5.159 -18.925 -7.529 1.00 0.00 N ATOM 0 H ARG A 70 -2.891 -10.915 -7.975 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.398 -13.103 -6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.505 -12.937 -8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.935 -13.046 -9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.749 -15.301 -9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.605 -15.271 -7.816 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.554 -14.779 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.646 -15.006 -7.586 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.181 -17.112 -6.127 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.841 -16.276 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.209 -17.960 -9.553 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.706 -19.237 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.576 -19.607 -8.163 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.005 -14.089 -5.844 1.00 0.00 N ATOM 1027 CA PRO A 71 0.413 -14.543 -5.658 1.00 0.00 C ATOM 1028 C PRO A 71 0.859 -15.517 -6.744 1.00 0.00 C ATOM 1029 O PRO A 71 2.006 -15.462 -7.202 1.00 0.00 O ATOM 1030 CB PRO A 71 0.400 -15.218 -4.288 1.00 0.00 C ATOM 1031 CG PRO A 71 -0.995 -15.705 -4.113 1.00 0.00 C ATOM 1032 CD PRO A 71 -1.891 -14.676 -4.798 1.00 0.00 C ATOM 0 HA PRO A 71 1.118 -13.714 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.114 -16.041 -4.246 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.675 -14.517 -3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.122 -16.691 -4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.246 -15.798 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.775 -15.140 -5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.242 -13.919 -4.097 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.063 -16.388 -7.172 1.00 0.00 N ATOM 1041 CA GLN A 72 0.223 -17.350 -8.233 1.00 0.00 C ATOM 1042 C GLN A 72 0.362 -16.661 -9.580 1.00 0.00 C ATOM 1043 O GLN A 72 1.213 -17.037 -10.396 1.00 0.00 O ATOM 1044 CB GLN A 72 -0.848 -18.439 -8.288 1.00 0.00 C ATOM 1045 CG GLN A 72 -0.713 -19.348 -7.059 1.00 0.00 C ATOM 1046 CD GLN A 72 -1.750 -20.466 -7.108 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -2.885 -20.245 -7.519 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -1.419 -21.665 -6.708 1.00 0.00 N ATOM 0 H GLN A 72 -1.010 -16.443 -6.798 1.00 0.00 H new ATOM 0 HA GLN A 72 1.177 -17.824 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.840 -17.988 -8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.740 -19.025 -9.201 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.289 -19.774 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.843 -18.762 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.475 -21.846 -6.367 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.105 -22.420 -6.737 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.485 -15.654 -9.812 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.474 -14.910 -11.055 1.00 0.00 C ATOM 1059 C GLY A 73 -1.844 -14.329 -11.345 1.00 0.00 C ATOM 1060 O GLY A 73 -2.042 -13.112 -11.248 1.00 0.00 O ATOM 0 H GLY A 73 -1.189 -15.341 -9.143 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.262 -14.108 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.170 -15.563 -11.873 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.788 -15.201 -11.731 1.00 0.00 N ATOM 1065 CA LYS A 74 -4.144 -14.752 -12.067 1.00 0.00 C ATOM 1066 C LYS A 74 -5.220 -15.717 -11.587 1.00 0.00 C ATOM 1067 O LYS A 74 -4.971 -16.911 -11.410 1.00 0.00 O ATOM 1068 CB LYS A 74 -4.282 -14.534 -13.566 1.00 0.00 C ATOM 1069 CG LYS A 74 -3.284 -13.461 -14.025 1.00 0.00 C ATOM 1070 CD LYS A 74 -3.591 -13.036 -15.476 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.235 -14.175 -16.444 1.00 0.00 C ATOM 1072 NZ LYS A 74 -3.423 -13.714 -17.848 1.00 0.00 N ATOM 0 H LYS A 74 -2.639 -16.206 -11.817 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.294 -13.808 -11.544 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.098 -15.467 -14.098 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.299 -14.225 -13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.340 -12.595 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.267 -13.847 -13.959 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.646 -12.781 -15.573 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.023 -12.141 -15.730 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.203 -14.489 -16.289 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.865 -15.043 -16.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.182 -14.486 -18.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.415 -13.435 -17.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.804 -12.899 -18.031 1.00 0.00 H new ATOM 1086 N SER A 75 -6.439 -15.187 -11.440 1.00 0.00 N ATOM 1087 CA SER A 75 -7.605 -15.985 -11.041 1.00 0.00 C ATOM 1088 C SER A 75 -8.642 -15.977 -12.161 1.00 0.00 C ATOM 1089 O SER A 75 -9.195 -14.923 -12.481 1.00 0.00 O ATOM 1090 CB SER A 75 -8.231 -15.393 -9.783 1.00 0.00 C ATOM 1091 OG SER A 75 -9.326 -16.203 -9.376 1.00 0.00 O ATOM 0 H SER A 75 -6.645 -14.200 -11.593 1.00 0.00 H new ATOM 0 HA SER A 75 -7.282 -17.007 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.490 -15.337 -8.986 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.569 -14.375 -9.976 1.00 0.00 H new ATOM 0 HG SER A 75 -9.096 -17.148 -9.496 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.904 -17.152 -12.757 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.856 -17.240 -13.872 1.00 0.00 C ATOM 1099 C TYR A 76 -11.310 -17.176 -13.389 1.00 0.00 C ATOM 1100 O TYR A 76 -11.965 -18.205 -13.182 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.617 -18.524 -14.676 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.285 -18.439 -15.385 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.128 -18.925 -14.768 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -8.210 -17.871 -16.664 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -5.895 -18.847 -15.428 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -6.978 -17.792 -17.324 1.00 0.00 C ATOM 1107 CZ TYR A 76 -5.821 -18.279 -16.706 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.606 -18.203 -17.356 1.00 0.00 O ATOM 0 H TYR A 76 -8.477 -18.039 -12.490 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.687 -16.378 -14.517 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.632 -19.389 -14.012 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.418 -18.665 -15.402 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.185 -19.361 -13.782 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.103 -17.494 -17.141 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.002 -19.225 -14.952 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.921 -17.355 -18.310 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.730 -17.783 -18.233 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.816 -15.948 -13.275 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.207 -15.700 -12.898 1.00 0.00 C ATOM 1120 C LEU A 77 -13.764 -14.522 -13.694 1.00 0.00 C ATOM 1121 O LEU A 77 -13.024 -13.588 -14.026 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.323 -15.427 -11.392 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.124 -16.732 -10.595 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.883 -16.391 -9.123 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.388 -17.603 -10.697 1.00 0.00 C ATOM 0 H LEU A 77 -11.275 -15.100 -13.441 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.791 -16.591 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.577 -14.691 -11.090 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.301 -15.001 -11.167 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.270 -17.273 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.742 -17.310 -8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.992 -15.769 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.743 -15.850 -8.729 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.242 -18.524 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.239 -17.058 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.580 -17.845 -11.742 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.075 -14.550 -13.967 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.726 -13.456 -14.690 1.00 0.00 C ATOM 1139 C TYR A 78 -16.137 -12.375 -13.702 1.00 0.00 C ATOM 1140 O TYR A 78 -17.146 -12.508 -13.020 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.962 -13.985 -15.433 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.526 -12.907 -16.336 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.000 -12.722 -17.617 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.574 -12.093 -15.884 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.519 -11.727 -18.451 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.094 -11.097 -16.718 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.566 -10.914 -18.002 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.077 -9.931 -18.823 1.00 0.00 O ATOM 0 H TYR A 78 -15.699 -15.312 -13.700 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.031 -13.036 -15.417 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.694 -14.861 -16.023 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.719 -14.303 -14.716 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.191 -13.348 -17.964 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.980 -12.234 -14.893 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.112 -11.586 -19.441 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.902 -10.470 -16.372 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.937 -9.622 -18.468 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.327 -11.317 -13.616 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.580 -10.230 -12.668 1.00 0.00 C ATOM 1160 C PHE A 79 -16.593 -9.241 -13.220 1.00 0.00 C ATOM 1161 O PHE A 79 -16.468 -8.787 -14.353 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.277 -9.501 -12.353 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.347 -10.420 -11.599 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.427 -11.207 -12.298 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.396 -10.473 -10.204 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.555 -12.052 -11.600 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.527 -11.318 -9.504 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.606 -12.107 -10.202 1.00 0.00 C ATOM 0 H PHE A 79 -14.493 -11.190 -14.189 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.988 -10.668 -11.757 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.804 -9.167 -13.276 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.482 -8.610 -11.760 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.389 -11.163 -13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.105 -9.862 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.844 -12.660 -12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.567 -11.361 -8.426 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.935 -12.758 -9.662 1.00 0.00 H new ATOM 1178 N THR A 80 -17.593 -8.908 -12.401 1.00 0.00 N ATOM 1179 CA THR A 80 -18.625 -7.953 -12.791 1.00 0.00 C ATOM 1180 C THR A 80 -18.063 -6.522 -12.773 1.00 0.00 C ATOM 1181 O THR A 80 -18.342 -5.725 -13.671 1.00 0.00 O ATOM 1182 CB THR A 80 -19.833 -8.076 -11.841 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.314 -9.413 -11.870 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.962 -7.133 -12.284 1.00 0.00 C ATOM 0 H THR A 80 -17.707 -9.288 -11.462 1.00 0.00 H new ATOM 0 HA THR A 80 -18.953 -8.176 -13.806 1.00 0.00 H new ATOM 0 HB THR A 80 -19.517 -7.807 -10.833 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.081 -9.498 -11.266 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.807 -7.232 -11.603 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.603 -6.104 -12.270 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.278 -7.393 -13.294 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.282 -6.205 -11.725 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.680 -4.864 -11.569 1.00 0.00 C ATOM 1194 C GLN A 81 -15.814 -4.801 -10.307 1.00 0.00 C ATOM 1195 O GLN A 81 -15.942 -5.653 -9.422 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.777 -3.774 -11.523 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.753 -4.053 -10.364 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.912 -3.064 -10.400 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.696 -1.856 -10.428 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.139 -3.509 -10.394 1.00 0.00 N ATOM 0 H GLN A 81 -17.052 -6.856 -10.974 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.043 -4.677 -12.434 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.320 -2.793 -11.396 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.319 -3.753 -12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.133 -5.072 -10.437 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.229 -3.975 -9.411 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.317 -4.513 -10.371 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.920 -2.853 -10.413 1.00 0.00 H new ATOM 1209 N PHE A 82 -14.935 -3.785 -10.228 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.051 -3.626 -9.054 1.00 0.00 C ATOM 1211 C PHE A 82 -14.182 -2.236 -8.438 1.00 0.00 C ATOM 1212 O PHE A 82 -14.334 -1.243 -9.156 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.597 -3.815 -9.441 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.345 -5.195 -9.997 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.365 -5.407 -11.381 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.061 -6.256 -9.130 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.099 -6.679 -11.897 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.800 -7.530 -9.644 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.817 -7.740 -11.028 1.00 0.00 C ATOM 0 H PHE A 82 -14.817 -3.072 -10.948 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.358 -4.384 -8.333 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.317 -3.067 -10.182 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -11.964 -3.652 -8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.586 -4.588 -12.050 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.043 -6.091 -8.063 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.111 -6.843 -12.964 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.586 -8.350 -8.975 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.612 -8.723 -11.426 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.077 -2.168 -7.097 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.136 -0.884 -6.387 1.00 0.00 C ATOM 1231 C LYS A 83 -13.216 -0.906 -5.162 1.00 0.00 C ATOM 1232 O LYS A 83 -13.131 -1.921 -4.463 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.572 -0.586 -5.942 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.487 -0.582 -7.159 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.907 -0.268 -6.727 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.793 -0.299 -7.950 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.198 0.012 -7.560 1.00 0.00 N ATOM 0 H LYS A 83 -13.952 -2.980 -6.492 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.802 -0.102 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.905 -1.336 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.615 0.379 -5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.144 0.158 -7.882 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.453 -1.552 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.250 -0.996 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.951 0.712 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.441 0.425 -8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.745 -1.281 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.721 0.354 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.655 -0.847 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.199 0.746 -6.824 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.554 0.226 -4.893 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.666 0.347 -3.727 1.00 0.00 C ATOM 1253 C ALA A 84 -11.736 1.751 -3.143 1.00 0.00 C ATOM 1254 O ALA A 84 -11.780 2.734 -3.887 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.226 0.022 -4.126 1.00 0.00 C ATOM 0 H ALA A 84 -12.615 1.069 -5.464 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.996 -0.363 -2.969 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.577 0.115 -3.255 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.176 -0.997 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.897 0.717 -4.899 1.00 0.00 H new ATOM 1261 N GLU A 85 -11.732 1.845 -1.806 1.00 0.00 N ATOM 1262 CA GLU A 85 -11.789 3.142 -1.132 1.00 0.00 C ATOM 1263 C GLU A 85 -11.136 3.056 0.247 1.00 0.00 C ATOM 1264 O GLU A 85 -10.776 1.970 0.687 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.250 3.625 -1.029 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.080 2.638 -0.182 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.449 3.237 0.134 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -15.498 4.406 0.488 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.428 2.520 0.018 1.00 0.00 O ATOM 0 H GLU A 85 -11.690 1.043 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.232 3.871 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.282 4.617 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.683 3.713 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.202 1.698 -0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.552 2.409 0.744 1.00 0.00 H new ATOM 1276 N VAL A 86 -10.961 4.209 0.909 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.330 4.240 2.239 1.00 0.00 C ATOM 1278 C VAL A 86 -11.103 5.101 3.228 1.00 0.00 C ATOM 1279 O VAL A 86 -11.962 5.899 2.841 1.00 0.00 O ATOM 1280 CB VAL A 86 -8.879 4.714 2.163 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.061 3.732 1.320 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -8.803 6.117 1.534 1.00 0.00 C ATOM 0 H VAL A 86 -11.243 5.122 0.552 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.346 3.213 2.603 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.473 4.759 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.027 4.072 1.267 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.095 2.743 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.478 3.681 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.763 6.439 1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.219 6.087 0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.374 6.820 2.142 1.00 0.00 H new ATOM 1292 N ARG A 87 -10.788 4.919 4.515 1.00 0.00 N ATOM 1293 CA ARG A 87 -11.442 5.661 5.591 1.00 0.00 C ATOM 1294 C ARG A 87 -10.428 6.254 6.546 1.00 0.00 C ATOM 1295 O ARG A 87 -9.359 5.678 6.785 1.00 0.00 O ATOM 1296 CB ARG A 87 -12.417 4.744 6.353 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.884 5.031 5.931 1.00 0.00 C ATOM 1298 CD ARG A 87 -14.648 3.733 5.843 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.092 3.997 5.639 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.612 4.493 4.484 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -15.842 4.775 3.452 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.899 4.697 4.397 1.00 0.00 N ATOM 0 H ARG A 87 -10.079 4.259 4.835 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.001 6.482 5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.174 3.700 6.154 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.305 4.898 7.426 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.358 5.695 6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.903 5.542 4.968 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.262 3.131 5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.503 3.155 6.756 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.732 3.796 6.408 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -14.835 4.622 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -16.253 5.146 2.595 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.504 4.485 5.190 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.299 5.069 3.536 1.00 0.00 H new ATOM 1316 N GLY A 88 -10.777 7.419 7.071 1.00 0.00 N ATOM 1317 CA GLY A 88 -9.912 8.150 7.995 1.00 0.00 C ATOM 1318 C GLY A 88 -8.809 8.928 7.245 1.00 0.00 C ATOM 1319 O GLY A 88 -7.996 9.611 7.872 1.00 0.00 O ATOM 0 H GLY A 88 -11.662 7.885 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.512 8.844 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.454 7.452 8.695 1.00 0.00 H new ATOM 1323 N ALA A 89 -8.787 8.808 5.900 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.782 9.475 5.079 1.00 0.00 C ATOM 1325 C ALA A 89 -8.305 9.721 3.675 1.00 0.00 C ATOM 1326 O ALA A 89 -9.264 9.078 3.237 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.518 8.619 4.999 1.00 0.00 C ATOM 0 H ALA A 89 -9.459 8.253 5.370 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.551 10.434 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.774 9.125 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.118 8.467 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.760 7.654 4.554 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.630 10.620 2.957 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.977 10.919 1.569 1.00 0.00 C ATOM 1335 C GLU A 90 -6.958 10.283 0.644 1.00 0.00 C ATOM 1336 O GLU A 90 -5.829 10.008 1.053 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.052 12.443 1.333 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.704 13.109 1.679 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.785 14.622 1.463 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.369 15.033 0.471 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.260 15.346 2.292 1.00 0.00 O ATOM 0 H GLU A 90 -6.838 11.154 3.316 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.962 10.504 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.307 12.644 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.845 12.873 1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.442 12.897 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.913 12.688 1.058 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.387 9.988 -0.573 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.537 9.301 -1.543 1.00 0.00 C ATOM 1350 C ILE A 91 -5.724 10.290 -2.365 1.00 0.00 C ATOM 1351 O ILE A 91 -6.284 11.064 -3.149 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.390 8.402 -2.480 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.394 7.522 -1.642 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.456 7.490 -3.290 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.752 8.237 -1.511 1.00 0.00 C ATOM 0 H ILE A 91 -8.321 10.213 -0.917 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.844 8.671 -0.985 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.966 9.037 -3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.530 6.554 -2.125 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.980 7.329 -0.652 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.049 6.856 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.778 8.101 -3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.878 6.865 -2.610 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.435 7.617 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.612 9.194 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.171 8.407 -2.503 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.390 10.213 -2.227 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.496 11.060 -3.013 1.00 0.00 C ATOM 1369 C GLU A 92 -3.273 10.460 -4.398 1.00 0.00 C ATOM 1370 O GLU A 92 -3.196 11.188 -5.393 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.148 11.245 -2.316 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.308 12.165 -1.108 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.934 12.565 -0.583 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.131 11.677 -0.344 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.703 13.753 -0.434 1.00 0.00 O ATOM 0 H GLU A 92 -3.917 9.578 -1.584 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.972 12.035 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.758 10.278 -1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.424 11.668 -3.012 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.874 13.053 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.874 11.659 -0.326 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.185 9.121 -4.455 1.00 0.00 N ATOM 1383 CA TYR A 93 -2.990 8.412 -5.717 1.00 0.00 C ATOM 1384 C TYR A 93 -3.499 6.977 -5.615 1.00 0.00 C ATOM 1385 O TYR A 93 -3.178 6.261 -4.661 1.00 0.00 O ATOM 1386 CB TYR A 93 -1.483 8.397 -6.105 1.00 0.00 C ATOM 1387 CG TYR A 93 -1.223 8.186 -7.639 1.00 0.00 C ATOM 1388 CD1 TYR A 93 0.103 8.109 -8.087 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.279 8.080 -8.592 1.00 0.00 C ATOM 1390 CE1 TYR A 93 0.382 7.925 -9.448 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.989 7.898 -9.946 1.00 0.00 C ATOM 1392 CZ TYR A 93 -0.661 7.820 -10.375 1.00 0.00 C ATOM 1393 OH TYR A 93 -0.379 7.639 -11.714 1.00 0.00 O ATOM 0 H TYR A 93 -3.247 8.513 -3.638 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.556 8.937 -6.487 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.029 9.338 -5.796 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.983 7.604 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 93 0.914 8.192 -7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.307 8.141 -8.265 1.00 0.00 H new ATOM 0 HE1 TYR A 93 1.407 7.864 -9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.793 7.817 -10.663 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.216 7.585 -12.220 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.256 6.557 -6.624 1.00 0.00 N ATOM 1404 CA ALA A 94 -4.779 5.197 -6.696 1.00 0.00 C ATOM 1405 C ALA A 94 -4.757 4.715 -8.137 1.00 0.00 C ATOM 1406 O ALA A 94 -5.071 5.478 -9.058 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.207 5.148 -6.156 1.00 0.00 C ATOM 0 H ALA A 94 -4.523 7.147 -7.412 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.152 4.546 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.584 4.127 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.215 5.477 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.843 5.805 -6.749 1.00 0.00 H new ATOM 1413 N MET A 95 -4.364 3.456 -8.329 1.00 0.00 N ATOM 1414 CA MET A 95 -4.270 2.878 -9.666 1.00 0.00 C ATOM 1415 C MET A 95 -4.279 1.355 -9.614 1.00 0.00 C ATOM 1416 O MET A 95 -4.197 0.761 -8.535 1.00 0.00 O ATOM 1417 CB MET A 95 -3.015 3.401 -10.396 1.00 0.00 C ATOM 1418 CG MET A 95 -1.749 3.017 -9.619 1.00 0.00 C ATOM 1419 SD MET A 95 -0.304 3.777 -10.400 1.00 0.00 S ATOM 1420 CE MET A 95 0.935 3.157 -9.235 1.00 0.00 C ATOM 0 H MET A 95 -4.106 2.819 -7.575 1.00 0.00 H new ATOM 0 HA MET A 95 -5.149 3.191 -10.230 1.00 0.00 H new ATOM 0 HB2 MET A 95 -2.972 2.986 -11.403 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.071 4.485 -10.500 1.00 0.00 H new ATOM 0 HG2 MET A 95 -1.831 3.347 -8.584 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.637 1.933 -9.600 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.933 3.375 -9.615 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.801 3.643 -8.269 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.818 2.080 -9.119 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.405 0.737 -10.787 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.449 -0.717 -10.897 1.00 0.00 C ATOM 1432 C ALA A 96 -3.728 -1.168 -12.162 1.00 0.00 C ATOM 1433 O ALA A 96 -3.647 -0.411 -13.132 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.900 -1.183 -10.931 1.00 0.00 C ATOM 0 H ALA A 96 -4.479 1.226 -11.679 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.950 -1.156 -10.033 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.931 -2.269 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.403 -0.874 -10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.405 -0.739 -11.789 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.167 -2.390 -12.136 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.412 -2.908 -13.297 1.00 0.00 C ATOM 1442 C TYR A 97 -3.062 -4.143 -13.918 1.00 0.00 C ATOM 1443 O TYR A 97 -3.026 -5.232 -13.338 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.981 -3.237 -12.892 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.257 -1.970 -12.487 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.034 -1.686 -11.132 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.195 -1.082 -13.469 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.642 -0.517 -10.765 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.868 0.087 -13.101 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.094 0.370 -11.750 1.00 0.00 C ATOM 1451 OH TYR A 97 1.762 1.522 -11.389 1.00 0.00 O ATOM 0 H TYR A 97 -3.218 -3.028 -11.342 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.416 -2.120 -14.050 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.982 -3.946 -12.064 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.460 -3.715 -13.721 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.384 -2.369 -10.372 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.024 -1.300 -14.513 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.815 -0.299 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.214 0.772 -13.861 1.00 0.00 H new ATOM 0 HH TYR A 97 2.007 2.024 -12.194 1.00 0.00 H new ATOM 1461 N SER A 98 -3.598 -3.974 -15.136 1.00 0.00 N ATOM 1462 CA SER A 98 -4.193 -5.089 -15.888 1.00 0.00 C ATOM 1463 C SER A 98 -3.129 -6.101 -16.285 1.00 0.00 C ATOM 1464 O SER A 98 -3.354 -7.313 -16.233 1.00 0.00 O ATOM 1465 CB SER A 98 -4.872 -4.570 -17.153 1.00 0.00 C ATOM 1466 OG SER A 98 -5.968 -3.754 -16.797 1.00 0.00 O ATOM 0 H SER A 98 -3.632 -3.077 -15.621 1.00 0.00 H new ATOM 0 HA SER A 98 -4.928 -5.571 -15.243 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.161 -4.002 -17.753 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.211 -5.405 -17.766 1.00 0.00 H new ATOM 0 HG SER A 98 -5.770 -2.822 -17.027 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.982 -5.580 -16.720 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.870 -6.405 -17.179 1.00 0.00 C ATOM 1474 C LYS A 99 0.454 -5.705 -16.877 1.00 0.00 C ATOM 1475 O LYS A 99 0.586 -4.499 -17.096 1.00 0.00 O ATOM 1476 CB LYS A 99 -1.014 -6.664 -18.700 1.00 0.00 C ATOM 1477 CG LYS A 99 0.127 -7.564 -19.226 1.00 0.00 C ATOM 1478 CD LYS A 99 -0.049 -8.997 -18.709 1.00 0.00 C ATOM 1479 CE LYS A 99 1.023 -9.899 -19.327 1.00 0.00 C ATOM 1480 NZ LYS A 99 0.818 -9.981 -20.803 1.00 0.00 N ATOM 0 H LYS A 99 -1.800 -4.577 -16.763 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.883 -7.361 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.975 -7.137 -18.901 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.007 -5.714 -19.235 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.130 -7.560 -20.316 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.090 -7.169 -18.903 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.028 -9.015 -17.622 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -1.042 -9.367 -18.964 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.015 -9.504 -19.109 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.973 -10.895 -18.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.257 -10.851 -21.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.201 -9.994 -21.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.255 -9.155 -21.261 1.00 0.00 H new ATOM 1494 N ALA A 100 1.424 -6.469 -16.372 1.00 0.00 N ATOM 1495 CA ALA A 100 2.740 -5.921 -16.036 1.00 0.00 C ATOM 1496 C ALA A 100 3.717 -6.111 -17.190 1.00 0.00 C ATOM 1497 O ALA A 100 3.955 -7.238 -17.635 1.00 0.00 O ATOM 1498 CB ALA A 100 3.289 -6.592 -14.775 1.00 0.00 C ATOM 0 H ALA A 100 1.324 -7.467 -16.187 1.00 0.00 H new ATOM 0 HA ALA A 100 2.625 -4.853 -15.851 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.268 -6.175 -14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.607 -6.416 -13.943 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.384 -7.664 -14.945 1.00 0.00 H new ATOM 1599 N ASP A 107 4.149 -1.430 -18.813 1.00 0.00 N ATOM 1600 CA ASP A 107 3.037 -1.839 -17.948 1.00 0.00 C ATOM 1601 C ASP A 107 1.759 -1.085 -18.321 1.00 0.00 C ATOM 1602 O ASP A 107 1.778 0.141 -18.472 1.00 0.00 O ATOM 1603 CB ASP A 107 3.397 -1.573 -16.472 1.00 0.00 C ATOM 1604 CG ASP A 107 2.312 -2.108 -15.512 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.199 -2.359 -15.958 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.618 -2.257 -14.340 1.00 0.00 O ATOM 0 HA ASP A 107 2.861 -2.906 -18.088 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.352 -2.044 -16.240 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.524 -0.502 -16.316 1.00 0.00 H new ATOM 1611 N VAL A 108 0.654 -1.830 -18.493 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.630 -1.229 -18.878 1.00 0.00 C ATOM 1613 C VAL A 108 -1.576 -1.106 -17.634 1.00 0.00 C ATOM 1614 O VAL A 108 -2.107 -2.119 -17.171 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.307 -2.108 -19.969 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.646 -1.488 -20.406 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.384 -2.216 -21.198 1.00 0.00 C ATOM 0 H VAL A 108 0.626 -2.842 -18.372 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.447 -0.230 -19.273 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.488 -3.098 -19.550 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.106 -2.116 -21.169 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.312 -1.416 -19.546 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.470 -0.492 -20.813 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.862 -2.832 -21.959 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.197 -1.221 -21.602 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.562 -2.671 -20.904 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.825 0.123 -17.106 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.751 0.326 -15.945 1.00 0.00 C ATOM 1629 C PRO A 109 -4.218 0.409 -16.378 1.00 0.00 C ATOM 1630 O PRO A 109 -4.515 0.822 -17.505 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.286 1.659 -15.376 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.867 2.442 -16.573 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.255 1.433 -17.551 1.00 0.00 C ATOM 0 HA PRO A 109 -2.715 -0.500 -15.235 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.086 2.161 -14.832 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.460 1.527 -14.677 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.719 2.952 -17.022 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.143 3.210 -16.302 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.526 1.659 -18.582 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.166 1.435 -17.500 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.135 0.082 -15.451 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.577 0.196 -15.723 1.00 0.00 C ATOM 1643 C LEU A 110 -6.988 1.660 -15.813 1.00 0.00 C ATOM 1644 O LEU A 110 -6.482 2.505 -15.065 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.408 -0.501 -14.629 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.379 -2.031 -14.818 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.874 -2.729 -13.528 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.309 -2.421 -15.985 1.00 0.00 C ATOM 0 H LEU A 110 -4.906 -0.259 -14.517 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.771 -0.296 -16.676 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.014 -0.243 -13.646 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.437 -0.144 -14.664 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.358 -2.344 -15.034 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.851 -3.810 -13.667 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.225 -2.457 -12.695 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.894 -2.412 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.290 -3.502 -16.120 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.327 -2.101 -15.762 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.969 -1.935 -16.899 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.909 1.949 -16.732 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.405 3.299 -16.937 1.00 0.00 C ATOM 1662 C LYS A 111 -9.212 3.760 -15.724 1.00 0.00 C ATOM 1663 O LYS A 111 -10.075 3.032 -15.229 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.277 3.334 -18.193 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.554 4.784 -18.596 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.160 4.825 -20.011 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.064 4.599 -21.076 1.00 0.00 C ATOM 1668 NZ LYS A 111 -8.951 3.140 -21.386 1.00 0.00 N ATOM 0 H LYS A 111 -8.327 1.254 -17.350 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.559 3.975 -17.064 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.777 2.810 -19.008 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.217 2.813 -18.008 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.239 5.245 -17.884 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.630 5.361 -18.569 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.930 4.060 -20.105 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.644 5.787 -20.178 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.305 5.155 -21.982 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.108 4.978 -20.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -7.994 2.808 -21.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.649 2.611 -20.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.131 2.985 -22.399 1.00 0.00 H new ATOM 1682 N THR A 112 -8.932 4.981 -15.266 1.00 0.00 N ATOM 1683 CA THR A 112 -9.635 5.567 -14.118 1.00 0.00 C ATOM 1684 C THR A 112 -11.138 5.686 -14.424 1.00 0.00 C ATOM 1685 O THR A 112 -11.981 5.498 -13.542 1.00 0.00 O ATOM 1686 CB THR A 112 -9.036 6.953 -13.780 1.00 0.00 C ATOM 1687 OG1 THR A 112 -7.651 6.803 -13.495 1.00 0.00 O ATOM 1688 CG2 THR A 112 -9.734 7.552 -12.546 1.00 0.00 C ATOM 0 H THR A 112 -8.220 5.588 -15.673 1.00 0.00 H new ATOM 0 HA THR A 112 -9.509 4.916 -13.253 1.00 0.00 H new ATOM 0 HB THR A 112 -9.181 7.618 -14.631 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.264 7.678 -13.282 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.302 8.527 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.799 7.666 -12.750 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.597 6.888 -11.692 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.447 6.024 -15.674 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.833 6.208 -16.123 1.00 0.00 C ATOM 1698 C GLU A 113 -13.682 4.943 -15.940 1.00 0.00 C ATOM 1699 O GLU A 113 -14.911 5.006 -15.998 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.858 6.608 -17.589 1.00 0.00 C ATOM 1701 CG GLU A 113 -12.314 8.035 -17.747 1.00 0.00 C ATOM 1702 CD GLU A 113 -12.164 8.421 -19.236 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.129 7.530 -20.079 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -12.088 9.609 -19.506 1.00 0.00 O ATOM 0 H GLU A 113 -10.751 6.178 -16.404 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.262 6.996 -15.504 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -12.257 5.913 -18.176 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.876 6.552 -17.973 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.985 8.738 -17.253 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -11.347 8.114 -17.250 1.00 0.00 H new ATOM 1711 N GLU A 114 -13.023 3.799 -15.758 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.720 2.521 -15.593 1.00 0.00 C ATOM 1713 C GLU A 114 -14.576 2.527 -14.321 1.00 0.00 C ATOM 1714 O GLU A 114 -15.647 1.914 -14.283 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.710 1.371 -15.524 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.436 0.019 -15.692 1.00 0.00 C ATOM 1717 CD GLU A 114 -14.098 -0.438 -14.382 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -13.579 -0.124 -13.327 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -15.119 -1.101 -14.462 1.00 0.00 O ATOM 0 H GLU A 114 -12.006 3.730 -15.721 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.372 2.379 -16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.959 1.489 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.184 1.395 -14.569 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.193 0.107 -16.471 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.724 -0.737 -16.023 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.075 3.200 -13.274 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.778 3.258 -11.981 1.00 0.00 C ATOM 1728 C PHE A 115 -14.478 4.567 -11.231 1.00 0.00 C ATOM 1729 O PHE A 115 -13.476 5.233 -11.506 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.386 2.031 -11.119 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.903 2.085 -10.746 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.520 2.563 -9.490 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.925 1.672 -11.661 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.163 2.625 -9.145 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.570 1.733 -11.317 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.189 2.208 -10.059 1.00 0.00 C ATOM 0 H PHE A 115 -13.191 3.709 -13.295 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.851 3.235 -12.173 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.993 2.007 -10.214 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.595 1.113 -11.668 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.271 2.885 -8.784 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.218 1.306 -12.634 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.869 2.995 -8.174 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.819 1.413 -12.024 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.143 2.253 -9.792 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.354 4.912 -10.276 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.184 6.126 -9.470 1.00 0.00 C ATOM 1748 C GLU A 116 -15.100 5.793 -7.971 1.00 0.00 C ATOM 1749 O GLU A 116 -15.981 5.126 -7.421 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.351 7.106 -9.741 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.190 8.401 -8.897 1.00 0.00 C ATOM 1752 CD GLU A 116 -14.879 9.143 -9.240 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -14.313 8.885 -10.297 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.464 9.961 -8.435 1.00 0.00 O ATOM 0 H GLU A 116 -16.185 4.368 -10.045 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.245 6.599 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.381 7.359 -10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.299 6.625 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.039 9.060 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.199 8.149 -7.837 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.056 6.317 -7.318 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.867 6.138 -5.873 1.00 0.00 C ATOM 1763 C VAL A 117 -13.624 7.488 -5.200 1.00 0.00 C ATOM 1764 O VAL A 117 -12.939 8.353 -5.757 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.687 5.180 -5.596 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -13.005 3.802 -6.181 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.393 5.722 -6.238 1.00 0.00 C ATOM 0 H VAL A 117 -13.327 6.870 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.773 5.698 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.541 5.102 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.174 3.124 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.910 3.410 -5.717 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.158 3.890 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.571 5.036 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.532 5.812 -7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.161 6.701 -5.819 1.00 0.00 H new ATOM 1777 N THR A 118 -14.180 7.652 -4.000 1.00 0.00 N ATOM 1778 CA THR A 118 -14.021 8.886 -3.236 1.00 0.00 C ATOM 1779 C THR A 118 -13.867 8.580 -1.757 1.00 0.00 C ATOM 1780 O THR A 118 -14.280 7.514 -1.287 1.00 0.00 O ATOM 1781 CB THR A 118 -15.210 9.831 -3.467 1.00 0.00 C ATOM 1782 OG1 THR A 118 -15.453 9.949 -4.862 1.00 0.00 O ATOM 1783 CG2 THR A 118 -14.887 11.215 -2.893 1.00 0.00 C ATOM 0 H THR A 118 -14.746 6.942 -3.536 1.00 0.00 H new ATOM 0 HA THR A 118 -13.117 9.385 -3.584 1.00 0.00 H new ATOM 0 HB THR A 118 -16.093 9.428 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.212 10.550 -5.012 1.00 0.00 H new ATOM 0 HG21 THR A 118 -15.732 11.884 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 118 -14.695 11.130 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.004 11.617 -3.389 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.270 9.518 -1.032 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.047 9.364 0.407 1.00 0.00 C ATOM 1793 C LYS A 119 -14.357 9.124 1.172 1.00 0.00 C ATOM 1794 O LYS A 119 -14.331 8.672 2.322 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.342 10.619 0.965 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.237 11.868 0.769 1.00 0.00 C ATOM 1797 CD LYS A 119 -12.666 13.050 1.561 1.00 0.00 C ATOM 1798 CE LYS A 119 -11.457 13.626 0.830 1.00 0.00 C ATOM 1799 NZ LYS A 119 -11.902 14.260 -0.444 1.00 0.00 N ATOM 0 H LYS A 119 -12.929 10.399 -1.416 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.415 8.487 0.549 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.124 10.482 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.387 10.764 0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.294 12.122 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.253 11.654 1.101 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.428 13.819 1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.377 12.724 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.955 14.361 1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.734 12.837 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.217 14.990 -0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -11.963 13.537 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.836 14.696 -0.307 1.00 0.00 H new ATOM 1813 N THR A 120 -15.487 9.524 0.567 1.00 0.00 N ATOM 1814 CA THR A 120 -16.779 9.449 1.240 1.00 0.00 C ATOM 1815 C THR A 120 -17.838 8.645 0.450 1.00 0.00 C ATOM 1816 O THR A 120 -18.842 8.216 1.028 1.00 0.00 O ATOM 1817 CB THR A 120 -17.259 10.880 1.535 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.410 10.840 2.367 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.584 11.623 0.227 1.00 0.00 C ATOM 0 H THR A 120 -15.525 9.899 -0.381 1.00 0.00 H new ATOM 0 HA THR A 120 -16.646 8.898 2.171 1.00 0.00 H new ATOM 0 HB THR A 120 -16.461 11.416 2.049 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.952 10.056 2.138 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.922 12.634 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.690 11.672 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.370 11.091 -0.308 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.620 8.460 -0.867 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.589 7.727 -1.707 1.00 0.00 C ATOM 1829 C ALA A 121 -17.905 6.940 -2.820 1.00 0.00 C ATOM 1830 O ALA A 121 -16.862 7.341 -3.331 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.605 8.699 -2.311 1.00 0.00 C ATOM 0 H ALA A 121 -16.798 8.801 -1.365 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.100 7.013 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.314 8.147 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.141 9.209 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.085 9.434 -2.925 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.515 5.808 -3.181 1.00 0.00 N ATOM 1838 CA VAL A 122 -17.983 4.936 -4.233 1.00 0.00 C ATOM 1839 C VAL A 122 -19.088 4.557 -5.222 1.00 0.00 C ATOM 1840 O VAL A 122 -20.178 4.134 -4.817 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.351 3.666 -3.605 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.800 2.733 -4.695 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -16.201 4.075 -2.691 1.00 0.00 C ATOM 0 H VAL A 122 -19.381 5.473 -2.759 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.208 5.475 -4.778 1.00 0.00 H new ATOM 0 HB VAL A 122 -18.123 3.141 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.362 1.850 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -17.610 2.430 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.037 3.257 -5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -15.754 3.185 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -15.448 4.609 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.578 4.724 -1.900 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.780 4.674 -6.520 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.727 4.303 -7.566 1.00 0.00 C ATOM 1855 C ALA A 123 -18.999 3.910 -8.851 1.00 0.00 C ATOM 1856 O ALA A 123 -17.925 4.436 -9.151 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.692 5.456 -7.843 1.00 0.00 C ATOM 0 H ALA A 123 -17.885 5.022 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.294 3.441 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.392 5.164 -8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.243 5.696 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.129 6.331 -8.168 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.603 2.986 -9.608 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.031 2.521 -10.873 1.00 0.00 C ATOM 1865 C HIS A 124 -19.294 3.514 -12.000 1.00 0.00 C ATOM 1866 O HIS A 124 -20.180 4.368 -11.897 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.590 1.128 -11.250 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.099 1.175 -11.388 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.942 1.132 -10.289 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.917 1.259 -12.486 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.207 1.189 -10.746 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.247 1.267 -12.080 1.00 0.00 N ATOM 0 H HIS A 124 -20.490 2.546 -9.364 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.953 2.441 -10.735 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.145 0.793 -12.187 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.312 0.401 -10.487 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.579 1.311 -13.511 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.082 1.174 -10.113 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.075 1.321 -12.673 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.531 3.371 -13.085 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.681 4.224 -14.260 1.00 0.00 C ATOM 1882 C ARG A 125 -19.174 3.414 -15.476 1.00 0.00 C ATOM 1883 O ARG A 125 -18.887 2.217 -15.569 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.357 4.898 -14.600 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.019 5.936 -13.522 1.00 0.00 C ATOM 1886 CD ARG A 125 -15.814 6.765 -13.974 1.00 0.00 C ATOM 1887 NE ARG A 125 -15.568 7.875 -13.033 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.254 9.054 -13.088 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -17.192 9.260 -13.995 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -15.977 9.999 -12.234 1.00 0.00 N ATOM 0 H ARG A 125 -17.799 2.666 -13.172 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.425 4.985 -14.024 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.564 4.153 -14.664 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.422 5.379 -15.576 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.876 6.586 -13.346 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.798 5.438 -12.578 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -14.930 6.130 -14.035 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -15.992 7.161 -14.974 1.00 0.00 H new ATOM 0 HE ARG A 125 -14.856 7.756 -12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.416 8.531 -14.672 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.692 10.148 -14.018 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.252 9.855 -11.531 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.485 10.883 -12.269 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.886 4.046 -16.441 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.363 3.332 -17.672 1.00 0.00 C ATOM 1906 C PRO A 126 -19.194 2.723 -18.435 1.00 0.00 C ATOM 1907 O PRO A 126 -18.101 3.302 -18.472 1.00 0.00 O ATOM 1908 CB PRO A 126 -21.032 4.439 -18.501 1.00 0.00 C ATOM 1909 CG PRO A 126 -21.413 5.482 -17.506 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.308 5.477 -16.462 1.00 0.00 C ATOM 0 HA PRO A 126 -21.037 2.506 -17.443 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.350 4.838 -19.251 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.905 4.062 -19.033 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.501 6.460 -17.978 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -22.379 5.258 -17.054 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.486 6.138 -16.738 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.669 5.807 -15.488 1.00 0.00 H new ATOM 1918 N GLY A 127 -19.420 1.547 -19.027 1.00 0.00 N ATOM 1919 CA GLY A 127 -18.368 0.850 -19.773 1.00 0.00 C ATOM 1920 C GLY A 127 -17.440 0.038 -18.846 1.00 0.00 C ATOM 1921 O GLY A 127 -16.354 -0.378 -19.263 1.00 0.00 O ATOM 0 H GLY A 127 -20.316 1.060 -19.005 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.824 0.182 -20.504 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.777 1.577 -20.330 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.869 -0.171 -17.584 1.00 0.00 N ATOM 1926 CA ALA A 128 -17.072 -0.916 -16.602 1.00 0.00 C ATOM 1927 C ALA A 128 -16.538 -2.226 -17.197 1.00 0.00 C ATOM 1928 O ALA A 128 -17.186 -2.851 -18.040 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.913 -1.214 -15.358 1.00 0.00 C ATOM 0 H ALA A 128 -18.762 0.167 -17.227 1.00 0.00 H new ATOM 0 HA ALA A 128 -16.220 -0.297 -16.322 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.312 -1.767 -14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -18.246 -0.277 -14.911 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.781 -1.810 -15.640 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.327 -2.594 -16.778 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.640 -3.792 -17.285 1.00 0.00 C ATOM 1937 C PHE A 129 -15.145 -5.071 -16.629 1.00 0.00 C ATOM 1938 O PHE A 129 -15.510 -5.082 -15.451 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.116 -3.656 -17.081 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.483 -2.892 -18.252 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -12.832 -1.556 -18.501 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.545 -3.531 -19.078 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -12.248 -0.866 -19.570 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.963 -2.838 -20.146 1.00 0.00 C ATOM 1945 CZ PHE A 129 -11.315 -1.506 -20.392 1.00 0.00 C ATOM 0 H PHE A 129 -14.793 -2.076 -16.081 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.862 -3.866 -18.350 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.914 -3.133 -16.146 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.665 -4.645 -16.998 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -13.552 -1.059 -17.867 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.272 -4.559 -18.889 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -12.518 0.162 -19.760 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.242 -3.332 -20.781 1.00 0.00 H new ATOM 0 HZ PHE A 129 -10.866 -0.972 -21.217 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.135 -6.156 -17.413 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.560 -7.469 -16.937 1.00 0.00 C ATOM 1957 C LYS A 130 -14.648 -8.558 -17.473 1.00 0.00 C ATOM 1958 O LYS A 130 -13.952 -8.357 -18.474 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.006 -7.753 -17.330 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.918 -6.781 -16.595 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.373 -7.043 -16.987 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.287 -6.069 -16.240 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.704 -6.320 -16.627 1.00 0.00 N ATOM 0 H LYS A 130 -14.834 -6.145 -18.387 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.495 -7.464 -15.849 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.132 -7.646 -18.407 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.270 -8.780 -17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.795 -6.896 -15.518 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.644 -5.755 -16.840 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.498 -6.923 -18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.646 -8.071 -16.747 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.166 -6.193 -15.164 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.011 -5.041 -16.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -22.325 -5.658 -16.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.814 -6.181 -17.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.963 -7.296 -16.380 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.617 -9.697 -16.772 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.733 -10.808 -17.152 1.00 0.00 C ATOM 1979 C ALA A 131 -12.273 -10.325 -17.284 1.00 0.00 C ATOM 1980 O ALA A 131 -11.454 -10.974 -17.940 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.206 -11.435 -18.479 1.00 0.00 C ATOM 0 H ALA A 131 -15.188 -9.874 -15.946 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.776 -11.564 -16.368 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.543 -12.257 -18.750 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.222 -11.812 -18.362 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.188 -10.680 -19.265 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.969 -9.177 -16.656 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.635 -8.593 -16.699 1.00 0.00 C ATOM 1989 C GLU A 132 -9.936 -8.817 -15.352 1.00 0.00 C ATOM 1990 O GLU A 132 -10.489 -8.498 -14.296 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.756 -7.084 -17.015 1.00 0.00 C ATOM 1992 CG GLU A 132 -9.525 -6.576 -17.794 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.258 -6.692 -16.951 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -7.599 -7.711 -17.048 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.969 -5.760 -16.221 1.00 0.00 O ATOM 0 H GLU A 132 -12.641 -8.638 -16.110 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.039 -9.068 -17.478 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -11.659 -6.903 -17.599 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.859 -6.523 -16.086 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.409 -7.151 -18.713 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.678 -5.537 -18.086 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.733 -9.400 -15.402 1.00 0.00 N ATOM 2003 CA LEU A 133 -7.965 -9.713 -14.185 1.00 0.00 C ATOM 2004 C LEU A 133 -6.896 -8.652 -13.974 1.00 0.00 C ATOM 2005 O LEU A 133 -6.205 -8.265 -14.925 1.00 0.00 O ATOM 2006 CB LEU A 133 -7.283 -11.117 -14.273 1.00 0.00 C ATOM 2007 CG LEU A 133 -8.240 -12.203 -14.864 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -8.280 -12.107 -16.416 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.736 -13.597 -14.460 1.00 0.00 C ATOM 0 H LEU A 133 -8.268 -9.666 -16.270 1.00 0.00 H new ATOM 0 HA LEU A 133 -8.661 -9.727 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -6.389 -11.047 -14.893 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -6.958 -11.424 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.244 -12.037 -14.472 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -8.951 -12.870 -16.811 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.639 -11.121 -16.710 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -7.278 -12.263 -16.816 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -8.401 -14.357 -14.870 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.729 -13.747 -14.850 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.720 -13.677 -13.373 1.00 0.00 H new ATOM 2021 N SER A 134 -6.790 -8.150 -12.737 1.00 0.00 N ATOM 2022 CA SER A 134 -5.830 -7.089 -12.427 1.00 0.00 C ATOM 2023 C SER A 134 -5.545 -6.998 -10.933 1.00 0.00 C ATOM 2024 O SER A 134 -6.257 -7.588 -10.115 1.00 0.00 O ATOM 2025 CB SER A 134 -6.367 -5.748 -12.924 1.00 0.00 C ATOM 2026 OG SER A 134 -5.414 -4.731 -12.658 1.00 0.00 O ATOM 0 H SER A 134 -7.352 -8.459 -11.944 1.00 0.00 H new ATOM 0 HA SER A 134 -4.895 -7.332 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.571 -5.799 -13.993 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.310 -5.516 -12.430 1.00 0.00 H new ATOM 0 HG SER A 134 -5.676 -4.240 -11.852 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.528 -6.198 -10.589 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.168 -5.949 -9.191 1.00 0.00 C ATOM 2034 C LYS A 135 -4.392 -4.484 -8.848 1.00 0.00 C ATOM 2035 O LYS A 135 -4.353 -3.619 -9.731 1.00 0.00 O ATOM 2036 CB LYS A 135 -2.703 -6.353 -8.909 1.00 0.00 C ATOM 2037 CG LYS A 135 -1.739 -5.576 -9.819 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.302 -6.021 -9.532 1.00 0.00 C ATOM 2039 CE LYS A 135 0.667 -5.254 -10.435 1.00 0.00 C ATOM 2040 NZ LYS A 135 2.063 -5.691 -10.146 1.00 0.00 N ATOM 0 H LYS A 135 -3.939 -5.711 -11.264 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.809 -6.564 -8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.462 -6.157 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -2.579 -7.424 -9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -1.985 -5.755 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.841 -4.505 -9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.058 -5.841 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.202 -7.093 -9.703 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.427 -5.436 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.567 -4.182 -10.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.723 -5.171 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.289 -5.496 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 2.152 -6.711 -10.328 1.00 0.00 H new ATOM 2054 N LEU A 136 -4.686 -4.223 -7.578 1.00 0.00 N ATOM 2055 CA LEU A 136 -4.993 -2.867 -7.117 1.00 0.00 C ATOM 2056 C LEU A 136 -3.912 -2.332 -6.185 1.00 0.00 C ATOM 2057 O LEU A 136 -3.459 -3.031 -5.280 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.338 -2.874 -6.386 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.483 -3.165 -7.371 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.747 -3.542 -6.584 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -7.780 -1.908 -8.217 1.00 0.00 C ATOM 0 H LEU A 136 -4.719 -4.932 -6.846 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.038 -2.215 -7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.327 -3.628 -5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.501 -1.911 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.190 -3.986 -8.026 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.560 -3.749 -7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.550 -4.429 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.029 -2.716 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.592 -2.121 -8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.070 -1.088 -7.560 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.888 -1.627 -8.776 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.551 -1.063 -6.384 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.577 -0.391 -5.529 1.00 0.00 C ATOM 2075 C VAL A 137 -3.084 1.015 -5.188 1.00 0.00 C ATOM 2076 O VAL A 137 -3.336 1.830 -6.080 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.190 -0.351 -6.227 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.265 0.427 -7.543 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.148 0.297 -5.306 1.00 0.00 C ATOM 0 H VAL A 137 -3.922 -0.480 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.457 -0.944 -4.598 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.892 -1.377 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.282 0.442 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -1.980 -0.055 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.587 1.449 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.819 0.318 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.456 1.315 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.066 -0.281 -4.386 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.307 1.253 -3.890 1.00 0.00 N ATOM 2090 CA ILE A 138 -3.873 2.524 -3.419 1.00 0.00 C ATOM 2091 C ILE A 138 -2.986 3.166 -2.348 1.00 0.00 C ATOM 2092 O ILE A 138 -2.677 2.543 -1.328 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.308 2.301 -2.848 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.214 1.602 -3.905 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -5.938 3.658 -2.461 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.017 0.076 -3.858 1.00 0.00 C ATOM 0 H ILE A 138 -3.105 0.584 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 138 -3.924 3.200 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.231 1.665 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.259 1.846 -3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -5.975 1.975 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -6.940 3.494 -2.063 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.322 4.142 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -5.998 4.296 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -6.657 -0.397 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -4.975 -0.163 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.279 -0.294 -2.867 1.00 0.00 H new ATOM 2108 N VAL A 139 -2.665 4.445 -2.552 1.00 0.00 N ATOM 2109 CA VAL A 139 -1.902 5.224 -1.572 1.00 0.00 C ATOM 2110 C VAL A 139 -2.783 6.372 -1.071 1.00 0.00 C ATOM 2111 O VAL A 139 -3.238 7.206 -1.866 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.601 5.780 -2.214 1.00 0.00 C ATOM 2113 CG1 VAL A 139 0.205 6.591 -1.183 1.00 0.00 C ATOM 2114 CG2 VAL A 139 0.263 4.617 -2.723 1.00 0.00 C ATOM 0 H VAL A 139 -2.922 4.966 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.616 4.586 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 139 -0.876 6.430 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.113 6.973 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.398 7.426 -0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.471 5.949 -0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.175 5.011 -3.173 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.522 3.964 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.294 4.049 -3.469 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.045 6.389 0.241 1.00 0.00 N ATOM 2125 CA ALA A 140 -3.906 7.409 0.842 1.00 0.00 C ATOM 2126 C ALA A 140 -3.189 8.170 1.943 1.00 0.00 C ATOM 2127 O ALA A 140 -2.475 7.583 2.759 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.176 6.763 1.399 1.00 0.00 C ATOM 0 H ALA A 140 -2.673 5.709 0.904 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.171 8.121 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.810 7.530 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.717 6.269 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -4.908 6.029 2.159 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.399 9.484 1.957 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.799 10.362 2.942 1.00 0.00 C ATOM 2136 C LYS A 141 -3.879 10.868 3.898 1.00 0.00 C ATOM 2137 O LYS A 141 -4.971 11.248 3.456 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.161 11.551 2.239 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.301 12.322 3.229 1.00 0.00 C ATOM 2140 CD LYS A 141 -0.665 13.519 2.526 1.00 0.00 C ATOM 2141 CE LYS A 141 0.214 14.274 3.511 1.00 0.00 C ATOM 2142 NZ LYS A 141 0.838 15.442 2.827 1.00 0.00 N ATOM 0 H LYS A 141 -3.993 9.965 1.281 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.040 9.814 3.500 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.553 11.209 1.402 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.933 12.201 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.908 12.660 4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.527 11.673 3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.072 13.182 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.439 14.178 2.133 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.380 14.611 4.360 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.987 13.614 3.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 1.439 15.958 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.418 15.109 2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 0.093 16.075 2.472 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.578 10.867 5.202 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.542 11.324 6.202 1.00 0.00 C ATOM 2158 C ALA A 142 -4.910 12.788 5.970 1.00 0.00 C ATOM 2159 O ALA A 142 -4.079 13.682 6.153 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.962 11.159 7.606 1.00 0.00 C ATOM 0 H ALA A 142 -2.684 10.558 5.584 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.442 10.717 6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.688 11.502 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.734 10.108 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.049 11.749 7.694 1.00 0.00 H new