USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=35 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 83 LYS NZ :NH3+ 163:sc= 0.0212 (180deg=-0.718) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.55 K(o=0.57,f=-4.2!) USER MOD Set 2.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 40 THR OG1 : rot 180:sc= 0 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= -1.04 X(o=-1,f=-1.5) USER MOD Single : A 26 SER OG : rot 140:sc= -1.5 USER MOD Single : A 27 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-7.9!) USER MOD Single : A 28 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.8!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -165:sc= -1.07 USER MOD Single : A 36 THR OG1 : rot 41:sc= 0.395 USER MOD Single : A 38 MET CE :methyl 161:sc= -0.905 (180deg=-1.66!) USER MOD Single : A 41 TYR OH : rot -142:sc= 1.8 USER MOD Single : A 43 SER OG : rot -124:sc= 1.02 USER MOD Single : A 44 GLN : amide:sc= -0.239 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= -5.23 K(o=-5.2,f=-13!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.119 F(o=-1.4,f=-0.12) USER MOD Single : A 53 MET CE :methyl -148:sc= -0.164 (180deg=-1.72) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -58:sc= -0.978 USER MOD Single : A 61 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 63 HIS : no HE2:sc= -0.355 K(o=-0.35,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -1.51 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -5.63 K(o=-5.6,f=-11!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 137:sc= -0.0992 (180deg=-0.855) USER MOD Single : A 97 TYR OH : rot -117:sc= 1.15 USER MOD Single : A 98 SER OG : rot -107:sc= -1.09 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 168:sc= 0.51 (180deg=0.432) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -61:sc= -2.84! USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -35:sc= 1.23 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= -2.11 USER MOD Single : A 135 LYS NZ :NH3+ -163:sc= -1.05 (180deg=-1.4) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.678 -3.620 7.132 1.00 0.00 N ATOM 107 CA PRO A 9 3.577 -4.038 6.195 1.00 0.00 C ATOM 108 C PRO A 9 3.095 -5.453 6.505 1.00 0.00 C ATOM 109 O PRO A 9 3.796 -6.217 7.176 1.00 0.00 O ATOM 110 CB PRO A 9 4.233 -3.977 4.811 1.00 0.00 C ATOM 111 CG PRO A 9 5.687 -4.181 5.072 1.00 0.00 C ATOM 112 CD PRO A 9 5.974 -3.491 6.401 1.00 0.00 C ATOM 0 HA PRO A 9 2.696 -3.402 6.276 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.837 -4.749 4.151 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.048 -3.018 4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.930 -5.242 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.291 -3.754 4.272 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.790 -3.973 6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.257 -2.448 6.261 1.00 0.00 H new ATOM 120 N THR A 10 1.869 -5.777 6.065 1.00 0.00 N ATOM 121 CA THR A 10 1.269 -7.078 6.355 1.00 0.00 C ATOM 122 C THR A 10 0.770 -7.770 5.089 1.00 0.00 C ATOM 123 O THR A 10 0.330 -7.113 4.144 1.00 0.00 O ATOM 124 CB THR A 10 0.109 -6.895 7.350 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.415 -8.164 7.713 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.007 -6.028 6.736 1.00 0.00 C ATOM 0 H THR A 10 1.280 -5.156 5.510 1.00 0.00 H new ATOM 0 HA THR A 10 2.038 -7.715 6.792 1.00 0.00 H new ATOM 0 HB THR A 10 0.491 -6.389 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.152 -8.044 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.816 -5.912 7.457 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.606 -5.047 6.480 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.389 -6.510 5.836 1.00 0.00 H new ATOM 134 N THR A 11 0.804 -9.109 5.109 1.00 0.00 N ATOM 135 CA THR A 11 0.314 -9.913 3.991 1.00 0.00 C ATOM 136 C THR A 11 -0.914 -10.719 4.436 1.00 0.00 C ATOM 137 O THR A 11 -0.831 -11.528 5.365 1.00 0.00 O ATOM 138 CB THR A 11 1.432 -10.859 3.490 1.00 0.00 C ATOM 139 OG1 THR A 11 2.558 -10.085 3.098 1.00 0.00 O ATOM 140 CG2 THR A 11 0.942 -11.675 2.282 1.00 0.00 C ATOM 0 H THR A 11 1.167 -9.655 5.890 1.00 0.00 H new ATOM 0 HA THR A 11 0.025 -9.255 3.171 1.00 0.00 H new ATOM 0 HB THR A 11 1.704 -11.541 4.295 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.270 -10.680 2.781 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.739 -12.335 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.077 -12.271 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.662 -10.998 1.475 1.00 0.00 H new ATOM 148 N VAL A 12 -2.052 -10.478 3.770 1.00 0.00 N ATOM 149 CA VAL A 12 -3.305 -11.170 4.105 1.00 0.00 C ATOM 150 C VAL A 12 -3.964 -11.751 2.841 1.00 0.00 C ATOM 151 O VAL A 12 -4.166 -11.042 1.859 1.00 0.00 O ATOM 152 CB VAL A 12 -4.272 -10.198 4.838 1.00 0.00 C ATOM 153 CG1 VAL A 12 -5.592 -10.907 5.191 1.00 0.00 C ATOM 154 CG2 VAL A 12 -3.617 -9.703 6.135 1.00 0.00 C ATOM 0 H VAL A 12 -2.131 -9.813 3.001 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.076 -12.001 4.773 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.482 -9.359 4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.254 -10.209 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.072 -11.258 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.386 -11.756 5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.296 -9.022 6.648 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.400 -10.554 6.781 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.690 -9.181 5.898 1.00 0.00 H new ATOM 164 N ALA A 13 -4.320 -13.036 2.903 1.00 0.00 N ATOM 165 CA ALA A 13 -4.986 -13.712 1.784 1.00 0.00 C ATOM 166 C ALA A 13 -6.489 -13.811 2.042 1.00 0.00 C ATOM 167 O ALA A 13 -6.918 -13.882 3.199 1.00 0.00 O ATOM 168 CB ALA A 13 -4.398 -15.109 1.583 1.00 0.00 C ATOM 0 H ALA A 13 -4.159 -13.631 3.716 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.822 -13.127 0.879 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.901 -15.599 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.333 -15.028 1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.540 -15.697 2.489 1.00 0.00 H new ATOM 174 N PHE A 14 -7.290 -13.807 0.960 1.00 0.00 N ATOM 175 CA PHE A 14 -8.747 -13.889 1.092 1.00 0.00 C ATOM 176 C PHE A 14 -9.366 -14.684 -0.064 1.00 0.00 C ATOM 177 O PHE A 14 -8.723 -14.890 -1.099 1.00 0.00 O ATOM 178 CB PHE A 14 -9.362 -12.469 1.191 1.00 0.00 C ATOM 179 CG PHE A 14 -9.193 -11.706 -0.114 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.230 -11.691 -1.053 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.004 -11.025 -0.378 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.078 -10.992 -2.254 1.00 0.00 C ATOM 183 CE2 PHE A 14 -7.852 -10.326 -1.583 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.888 -10.309 -2.519 1.00 0.00 C ATOM 0 H PHE A 14 -6.954 -13.749 -0.001 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.976 -14.424 2.013 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.421 -12.545 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.885 -11.919 2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.149 -12.220 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.202 -11.037 0.345 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.880 -10.980 -2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.932 -9.799 -1.788 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.770 -9.769 -3.447 1.00 0.00 H new ATOM 194 N ASP A 15 -10.601 -15.153 0.141 1.00 0.00 N ATOM 195 CA ASP A 15 -11.294 -15.956 -0.862 1.00 0.00 C ATOM 196 C ASP A 15 -12.309 -15.129 -1.642 1.00 0.00 C ATOM 197 O ASP A 15 -13.233 -14.555 -1.058 1.00 0.00 O ATOM 198 CB ASP A 15 -12.014 -17.131 -0.188 1.00 0.00 C ATOM 199 CG ASP A 15 -11.027 -17.948 0.642 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.882 -17.650 1.817 1.00 0.00 O ATOM 201 OD2 ASP A 15 -10.432 -18.859 0.092 1.00 0.00 O ATOM 0 H ASP A 15 -11.138 -14.989 0.993 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.544 -16.327 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.816 -16.758 0.450 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.477 -17.765 -0.944 1.00 0.00 H new ATOM 206 N VAL A 16 -12.179 -15.152 -2.975 1.00 0.00 N ATOM 207 CA VAL A 16 -13.137 -14.489 -3.853 1.00 0.00 C ATOM 208 C VAL A 16 -14.164 -15.522 -4.287 1.00 0.00 C ATOM 209 O VAL A 16 -13.860 -16.418 -5.079 1.00 0.00 O ATOM 210 CB VAL A 16 -12.408 -13.893 -5.091 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.417 -13.228 -6.047 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.396 -12.842 -4.628 1.00 0.00 C ATOM 0 H VAL A 16 -11.418 -15.624 -3.464 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.628 -13.669 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.900 -14.701 -5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.887 -12.817 -6.907 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.140 -13.970 -6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.939 -12.426 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.884 -12.423 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.916 -12.047 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.666 -13.307 -3.965 1.00 0.00 H new ATOM 222 N ARG A 17 -15.369 -15.406 -3.739 1.00 0.00 N ATOM 223 CA ARG A 17 -16.446 -16.350 -4.023 1.00 0.00 C ATOM 224 C ARG A 17 -17.492 -15.718 -4.970 1.00 0.00 C ATOM 225 O ARG A 17 -18.036 -14.655 -4.652 1.00 0.00 O ATOM 226 CB ARG A 17 -17.098 -16.802 -2.713 1.00 0.00 C ATOM 227 CG ARG A 17 -16.061 -17.581 -1.881 1.00 0.00 C ATOM 228 CD ARG A 17 -16.626 -17.881 -0.489 1.00 0.00 C ATOM 229 NE ARG A 17 -17.845 -18.714 -0.587 1.00 0.00 N ATOM 230 CZ ARG A 17 -19.106 -18.229 -0.411 1.00 0.00 C ATOM 231 NH1 ARG A 17 -19.333 -16.951 -0.160 1.00 0.00 N ATOM 232 NH2 ARG A 17 -20.119 -19.049 -0.489 1.00 0.00 N ATOM 0 H ARG A 17 -15.626 -14.662 -3.091 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.028 -17.222 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.458 -15.938 -2.154 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.964 -17.431 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.802 -18.512 -2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.143 -17.000 -1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.875 -18.396 0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.858 -16.947 0.024 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.735 -19.706 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.552 -16.298 -0.093 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -20.289 -16.618 -0.033 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.961 -20.038 -0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.069 -18.700 -0.359 1.00 0.00 H new ATOM 246 N PRO A 18 -17.744 -16.308 -6.166 1.00 0.00 N ATOM 247 CA PRO A 18 -18.680 -15.715 -7.164 1.00 0.00 C ATOM 248 C PRO A 18 -20.138 -16.086 -6.895 1.00 0.00 C ATOM 249 O PRO A 18 -20.432 -16.888 -6.004 1.00 0.00 O ATOM 250 CB PRO A 18 -18.195 -16.303 -8.470 1.00 0.00 C ATOM 251 CG PRO A 18 -17.761 -17.690 -8.111 1.00 0.00 C ATOM 252 CD PRO A 18 -17.184 -17.603 -6.688 1.00 0.00 C ATOM 0 HA PRO A 18 -18.674 -14.625 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.986 -16.315 -9.219 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.371 -15.723 -8.886 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.601 -18.383 -8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.013 -18.058 -8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -17.493 -18.451 -6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.094 -17.596 -6.696 1.00 0.00 H new ATOM 260 N GLY A 19 -21.045 -15.493 -7.681 1.00 0.00 N ATOM 261 CA GLY A 19 -22.485 -15.757 -7.541 1.00 0.00 C ATOM 262 C GLY A 19 -23.339 -14.488 -7.723 1.00 0.00 C ATOM 263 O GLY A 19 -24.532 -14.492 -7.403 1.00 0.00 O ATOM 0 H GLY A 19 -20.810 -14.829 -8.419 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.787 -16.503 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.679 -16.183 -6.557 1.00 0.00 H new ATOM 267 N GLY A 20 -22.727 -13.407 -8.244 1.00 0.00 N ATOM 268 CA GLY A 20 -23.444 -12.147 -8.469 1.00 0.00 C ATOM 269 C GLY A 20 -23.787 -11.448 -7.150 1.00 0.00 C ATOM 270 O GLY A 20 -24.771 -10.705 -7.072 1.00 0.00 O ATOM 0 H GLY A 20 -21.744 -13.385 -8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.833 -11.485 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.360 -12.344 -9.026 1.00 0.00 H new ATOM 274 N VAL A 21 -22.977 -11.702 -6.113 1.00 0.00 N ATOM 275 CA VAL A 21 -23.199 -11.110 -4.791 1.00 0.00 C ATOM 276 C VAL A 21 -22.067 -10.141 -4.461 1.00 0.00 C ATOM 277 O VAL A 21 -20.885 -10.490 -4.564 1.00 0.00 O ATOM 278 CB VAL A 21 -23.291 -12.221 -3.708 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.548 -11.606 -2.319 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.438 -13.185 -4.047 1.00 0.00 C ATOM 0 H VAL A 21 -22.163 -12.314 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.142 -10.563 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.344 -12.760 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.609 -12.400 -1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.731 -10.931 -2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.486 -11.051 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.498 -13.962 -3.285 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.378 -12.635 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.253 -13.644 -5.018 1.00 0.00 H new ATOM 290 N VAL A 22 -22.445 -8.926 -4.060 1.00 0.00 N ATOM 291 CA VAL A 22 -21.472 -7.900 -3.704 1.00 0.00 C ATOM 292 C VAL A 22 -20.855 -8.242 -2.355 1.00 0.00 C ATOM 293 O VAL A 22 -21.562 -8.369 -1.349 1.00 0.00 O ATOM 294 CB VAL A 22 -22.153 -6.503 -3.662 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.137 -5.414 -3.275 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.735 -6.174 -5.045 1.00 0.00 C ATOM 0 H VAL A 22 -23.418 -8.632 -3.975 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.684 -7.867 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 22 -22.947 -6.529 -2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.634 -4.444 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.725 -5.634 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.331 -5.391 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.212 -5.195 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -21.934 -6.165 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.472 -6.929 -5.318 1.00 0.00 H new ATOM 306 N HIS A 23 -19.536 -8.409 -2.354 1.00 0.00 N ATOM 307 CA HIS A 23 -18.800 -8.764 -1.144 1.00 0.00 C ATOM 308 C HIS A 23 -17.833 -7.664 -0.756 1.00 0.00 C ATOM 309 O HIS A 23 -17.168 -7.073 -1.614 1.00 0.00 O ATOM 310 CB HIS A 23 -18.023 -10.069 -1.344 1.00 0.00 C ATOM 311 CG HIS A 23 -18.972 -11.205 -1.635 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.851 -11.697 -0.682 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.177 -11.961 -2.761 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.538 -12.706 -1.251 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.165 -12.907 -2.517 1.00 0.00 N ATOM 0 H HIS A 23 -18.951 -8.303 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.529 -8.897 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.316 -9.957 -2.166 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.440 -10.293 -0.451 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.958 -11.357 0.274 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.650 -11.839 -3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.298 -13.282 -0.745 1.00 0.00 H new ATOM 323 N SER A 24 -17.751 -7.404 0.547 1.00 0.00 N ATOM 324 CA SER A 24 -16.851 -6.383 1.076 1.00 0.00 C ATOM 325 C SER A 24 -15.743 -7.016 1.910 1.00 0.00 C ATOM 326 O SER A 24 -16.011 -7.731 2.880 1.00 0.00 O ATOM 327 CB SER A 24 -17.630 -5.387 1.933 1.00 0.00 C ATOM 328 OG SER A 24 -18.595 -4.725 1.126 1.00 0.00 O ATOM 0 H SER A 24 -18.299 -7.888 1.258 1.00 0.00 H new ATOM 0 HA SER A 24 -16.399 -5.860 0.233 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.122 -5.905 2.756 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.949 -4.660 2.375 1.00 0.00 H new ATOM 0 HG SER A 24 -19.097 -4.087 1.674 1.00 0.00 H new ATOM 334 N PHE A 25 -14.501 -6.696 1.555 1.00 0.00 N ATOM 335 CA PHE A 25 -13.329 -7.167 2.292 1.00 0.00 C ATOM 336 C PHE A 25 -12.430 -5.993 2.592 1.00 0.00 C ATOM 337 O PHE A 25 -12.081 -5.234 1.684 1.00 0.00 O ATOM 338 CB PHE A 25 -12.553 -8.217 1.485 1.00 0.00 C ATOM 339 CG PHE A 25 -13.421 -9.430 1.244 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.099 -9.578 0.028 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.545 -10.408 2.238 1.00 0.00 C ATOM 342 CE1 PHE A 25 -14.900 -10.703 -0.194 1.00 0.00 C ATOM 343 CE2 PHE A 25 -14.349 -11.533 2.017 1.00 0.00 C ATOM 344 CZ PHE A 25 -15.024 -11.682 0.801 1.00 0.00 C ATOM 0 H PHE A 25 -14.278 -6.106 0.753 1.00 0.00 H new ATOM 0 HA PHE A 25 -13.664 -7.631 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.234 -7.793 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.650 -8.507 2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.004 -8.823 -0.739 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.021 -10.295 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.423 -10.817 -1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -14.448 -12.286 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.641 -12.552 0.629 1.00 0.00 H new ATOM 354 N SER A 26 -12.084 -5.816 3.868 1.00 0.00 N ATOM 355 CA SER A 26 -11.260 -4.679 4.273 1.00 0.00 C ATOM 356 C SER A 26 -10.225 -5.093 5.309 1.00 0.00 C ATOM 357 O SER A 26 -10.269 -6.212 5.830 1.00 0.00 O ATOM 358 CB SER A 26 -12.152 -3.554 4.805 1.00 0.00 C ATOM 359 OG SER A 26 -13.372 -3.545 4.071 1.00 0.00 O ATOM 0 H SER A 26 -12.358 -6.437 4.629 1.00 0.00 H new ATOM 0 HA SER A 26 -10.718 -4.313 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.352 -3.702 5.866 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.646 -2.594 4.707 1.00 0.00 H new ATOM 0 HG SER A 26 -14.119 -3.372 4.681 1.00 0.00 H new ATOM 365 N HIS A 27 -9.263 -4.198 5.567 1.00 0.00 N ATOM 366 CA HIS A 27 -8.173 -4.489 6.503 1.00 0.00 C ATOM 367 C HIS A 27 -7.709 -3.224 7.221 1.00 0.00 C ATOM 368 O HIS A 27 -7.689 -2.132 6.638 1.00 0.00 O ATOM 369 CB HIS A 27 -7.001 -5.131 5.747 1.00 0.00 C ATOM 370 CG HIS A 27 -5.972 -5.661 6.717 1.00 0.00 C ATOM 371 ND1 HIS A 27 -4.974 -4.855 7.249 1.00 0.00 N ATOM 372 CD2 HIS A 27 -5.755 -6.914 7.234 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.207 -5.628 8.040 1.00 0.00 C ATOM 374 NE2 HIS A 27 -4.640 -6.891 8.068 1.00 0.00 N ATOM 0 H HIS A 27 -9.218 -3.272 5.143 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.542 -5.184 7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.367 -5.942 5.117 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.541 -4.397 5.086 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.358 -7.786 7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.346 -5.270 8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.240 -7.672 8.589 1.00 0.00 H new ATOM 382 N ASN A 28 -7.344 -3.387 8.494 1.00 0.00 N ATOM 383 CA ASN A 28 -6.882 -2.281 9.324 1.00 0.00 C ATOM 384 C ASN A 28 -5.938 -2.786 10.411 1.00 0.00 C ATOM 385 O ASN A 28 -5.851 -3.994 10.657 1.00 0.00 O ATOM 386 CB ASN A 28 -8.076 -1.560 9.961 1.00 0.00 C ATOM 387 CG ASN A 28 -8.896 -2.535 10.806 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.340 -3.290 11.604 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.195 -2.563 10.677 1.00 0.00 N ATOM 0 H ASN A 28 -7.361 -4.287 8.974 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.341 -1.578 8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.723 -0.737 10.583 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.704 -1.125 9.183 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.749 -3.210 11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.655 -1.937 10.016 1.00 0.00 H new ATOM 396 N VAL A 29 -5.236 -1.855 11.060 1.00 0.00 N ATOM 397 CA VAL A 29 -4.291 -2.195 12.134 1.00 0.00 C ATOM 398 C VAL A 29 -4.605 -1.397 13.397 1.00 0.00 C ATOM 399 O VAL A 29 -5.288 -0.368 13.331 1.00 0.00 O ATOM 400 CB VAL A 29 -2.838 -1.938 11.682 1.00 0.00 C ATOM 401 CG1 VAL A 29 -2.495 -2.878 10.516 1.00 0.00 C ATOM 402 CG2 VAL A 29 -2.664 -0.460 11.231 1.00 0.00 C ATOM 0 H VAL A 29 -5.302 -0.857 10.862 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.398 -3.256 12.360 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.166 -2.129 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.469 -2.699 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.598 -3.913 10.841 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.174 -2.689 9.685 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.634 -0.295 10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.336 -0.252 10.399 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.900 0.204 12.062 1.00 0.00 H new ATOM 412 N GLY A 30 -4.156 -1.910 14.557 1.00 0.00 N ATOM 413 CA GLY A 30 -4.458 -1.271 15.842 1.00 0.00 C ATOM 414 C GLY A 30 -3.925 0.178 15.903 1.00 0.00 C ATOM 415 O GLY A 30 -4.700 1.095 16.194 1.00 0.00 O ATOM 0 H GLY A 30 -3.590 -2.755 14.627 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.536 -1.268 16.002 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.017 -1.855 16.650 1.00 0.00 H new ATOM 419 N PRO A 31 -2.632 0.428 15.585 1.00 0.00 N ATOM 420 CA PRO A 31 -2.079 1.827 15.567 1.00 0.00 C ATOM 421 C PRO A 31 -2.824 2.679 14.548 1.00 0.00 C ATOM 422 O PRO A 31 -3.227 3.811 14.828 1.00 0.00 O ATOM 423 CB PRO A 31 -0.615 1.629 15.135 1.00 0.00 C ATOM 424 CG PRO A 31 -0.303 0.214 15.487 1.00 0.00 C ATOM 425 CD PRO A 31 -1.586 -0.562 15.226 1.00 0.00 C ATOM 0 HA PRO A 31 -2.175 2.337 16.525 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.490 1.808 14.067 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.048 2.321 15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.518 -0.169 14.881 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.003 0.127 16.530 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.665 -0.879 14.186 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.649 -1.461 15.839 1.00 0.00 H new ATOM 433 N GLY A 32 -3.026 2.092 13.372 1.00 0.00 N ATOM 434 CA GLY A 32 -3.750 2.732 12.277 1.00 0.00 C ATOM 435 C GLY A 32 -5.232 2.355 12.291 1.00 0.00 C ATOM 436 O GLY A 32 -5.832 2.152 11.230 1.00 0.00 O ATOM 0 H GLY A 32 -2.691 1.155 13.150 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.648 3.814 12.355 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.307 2.438 11.325 1.00 0.00 H new ATOM 440 N ASP A 33 -5.808 2.237 13.493 1.00 0.00 N ATOM 441 CA ASP A 33 -7.220 1.848 13.634 1.00 0.00 C ATOM 442 C ASP A 33 -8.133 2.826 12.893 1.00 0.00 C ATOM 443 O ASP A 33 -9.142 2.419 12.304 1.00 0.00 O ATOM 444 CB ASP A 33 -7.607 1.798 15.116 1.00 0.00 C ATOM 445 CG ASP A 33 -9.051 1.328 15.269 1.00 0.00 C ATOM 446 OD1 ASP A 33 -9.315 0.176 14.967 1.00 0.00 O ATOM 447 OD2 ASP A 33 -9.872 2.130 15.683 1.00 0.00 O ATOM 0 H ASP A 33 -5.325 2.403 14.376 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.345 0.858 13.195 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.939 1.123 15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.489 2.785 15.564 1.00 0.00 H new ATOM 452 N LYS A 34 -7.758 4.107 12.903 1.00 0.00 N ATOM 453 CA LYS A 34 -8.528 5.145 12.212 1.00 0.00 C ATOM 454 C LYS A 34 -8.406 5.015 10.682 1.00 0.00 C ATOM 455 O LYS A 34 -9.236 5.549 9.945 1.00 0.00 O ATOM 456 CB LYS A 34 -8.052 6.541 12.655 1.00 0.00 C ATOM 457 CG LYS A 34 -8.281 6.739 14.173 1.00 0.00 C ATOM 458 CD LYS A 34 -9.785 6.824 14.488 1.00 0.00 C ATOM 459 CE LYS A 34 -9.976 7.101 15.980 1.00 0.00 C ATOM 460 NZ LYS A 34 -11.431 7.182 16.289 1.00 0.00 N ATOM 0 H LYS A 34 -6.926 4.451 13.382 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.576 5.014 12.481 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.994 6.661 12.423 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.590 7.308 12.098 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.835 5.911 14.724 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.782 7.649 14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.247 7.615 13.898 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.279 5.892 14.214 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.512 6.310 16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.483 8.034 16.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.560 7.370 17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.861 7.951 15.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.889 6.281 16.043 1.00 0.00 H new ATOM 474 N TYR A 35 -7.353 4.318 10.217 1.00 0.00 N ATOM 475 CA TYR A 35 -7.108 4.146 8.776 1.00 0.00 C ATOM 476 C TYR A 35 -7.460 2.728 8.339 1.00 0.00 C ATOM 477 O TYR A 35 -7.070 1.756 8.996 1.00 0.00 O ATOM 478 CB TYR A 35 -5.629 4.419 8.457 1.00 0.00 C ATOM 479 CG TYR A 35 -5.277 5.846 8.820 1.00 0.00 C ATOM 480 CD1 TYR A 35 -4.715 6.129 10.071 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.519 6.879 7.914 1.00 0.00 C ATOM 482 CE1 TYR A 35 -4.394 7.446 10.413 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.196 8.197 8.255 1.00 0.00 C ATOM 484 CZ TYR A 35 -4.634 8.480 9.504 1.00 0.00 C ATOM 485 OH TYR A 35 -4.319 9.781 9.840 1.00 0.00 O ATOM 0 H TYR A 35 -6.662 3.867 10.816 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.737 4.854 8.236 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.995 3.727 9.011 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.439 4.247 7.398 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.529 5.329 10.772 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.955 6.662 6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.961 7.664 11.378 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.381 8.997 7.553 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.759 10.396 9.216 1.00 0.00 H new ATOM 495 N THR A 36 -8.210 2.611 7.228 1.00 0.00 N ATOM 496 CA THR A 36 -8.618 1.290 6.720 1.00 0.00 C ATOM 497 C THR A 36 -8.860 1.292 5.202 1.00 0.00 C ATOM 498 O THR A 36 -9.245 2.313 4.623 1.00 0.00 O ATOM 499 CB THR A 36 -9.874 0.797 7.463 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.222 -0.498 6.995 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.047 1.764 7.234 1.00 0.00 C ATOM 0 H THR A 36 -8.541 3.401 6.674 1.00 0.00 H new ATOM 0 HA THR A 36 -7.792 0.604 6.910 1.00 0.00 H new ATOM 0 HB THR A 36 -9.660 0.756 8.531 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.409 -1.032 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.927 1.401 7.766 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.781 2.753 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.266 1.824 6.168 1.00 0.00 H new ATOM 509 N CYS A 37 -8.672 0.117 4.580 1.00 0.00 N ATOM 510 CA CYS A 37 -8.910 -0.057 3.138 1.00 0.00 C ATOM 511 C CYS A 37 -10.043 -1.045 2.895 1.00 0.00 C ATOM 512 O CYS A 37 -9.944 -2.206 3.270 1.00 0.00 O ATOM 513 CB CYS A 37 -7.642 -0.559 2.423 1.00 0.00 C ATOM 514 SG CYS A 37 -6.329 0.685 2.508 1.00 0.00 S ATOM 0 H CYS A 37 -8.355 -0.728 5.055 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.184 0.917 2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.302 -1.487 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.870 -0.784 1.381 1.00 0.00 H new ATOM 519 N MET A 38 -11.106 -0.571 2.238 1.00 0.00 N ATOM 520 CA MET A 38 -12.271 -1.387 1.921 1.00 0.00 C ATOM 521 C MET A 38 -12.284 -1.768 0.470 1.00 0.00 C ATOM 522 O MET A 38 -11.891 -0.979 -0.398 1.00 0.00 O ATOM 523 CB MET A 38 -13.559 -0.643 2.253 1.00 0.00 C ATOM 524 CG MET A 38 -13.612 -0.387 3.748 1.00 0.00 C ATOM 525 SD MET A 38 -15.146 0.469 4.171 1.00 0.00 S ATOM 526 CE MET A 38 -14.905 0.494 5.963 1.00 0.00 C ATOM 0 H MET A 38 -11.178 0.393 1.912 1.00 0.00 H new ATOM 0 HA MET A 38 -12.209 -2.291 2.526 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.600 0.300 1.708 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.423 -1.229 1.941 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.551 -1.331 4.290 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.755 0.212 4.054 1.00 0.00 H new ATOM 0 HE1 MET A 38 -15.547 1.255 6.406 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.159 -0.481 6.378 1.00 0.00 H new ATOM 0 HE3 MET A 38 -13.863 0.723 6.187 1.00 0.00 H new ATOM 536 N PHE A 39 -12.722 -2.990 0.210 1.00 0.00 N ATOM 537 CA PHE A 39 -12.780 -3.511 -1.151 1.00 0.00 C ATOM 538 C PHE A 39 -14.130 -4.153 -1.433 1.00 0.00 C ATOM 539 O PHE A 39 -14.463 -5.199 -0.868 1.00 0.00 O ATOM 540 CB PHE A 39 -11.649 -4.526 -1.368 1.00 0.00 C ATOM 541 CG PHE A 39 -10.318 -3.829 -1.181 1.00 0.00 C ATOM 542 CD1 PHE A 39 -9.732 -3.770 0.092 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.682 -3.236 -2.271 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.508 -3.115 0.270 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.458 -2.587 -2.097 1.00 0.00 C ATOM 546 CZ PHE A 39 -7.870 -2.524 -0.825 1.00 0.00 C ATOM 0 H PHE A 39 -13.044 -3.643 0.925 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.653 -2.680 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.744 -5.352 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.713 -4.953 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.226 -4.230 0.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.136 -3.279 -3.250 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.058 -3.066 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.963 -2.133 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.925 -2.019 -0.691 1.00 0.00 H new ATOM 556 N THR A 40 -14.892 -3.524 -2.325 1.00 0.00 N ATOM 557 CA THR A 40 -16.210 -4.029 -2.717 1.00 0.00 C ATOM 558 C THR A 40 -16.183 -4.444 -4.187 1.00 0.00 C ATOM 559 O THR A 40 -15.714 -3.690 -5.035 1.00 0.00 O ATOM 560 CB THR A 40 -17.279 -2.937 -2.492 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.270 -2.551 -1.126 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.677 -3.474 -2.851 1.00 0.00 C ATOM 0 H THR A 40 -14.620 -2.660 -2.793 1.00 0.00 H new ATOM 0 HA THR A 40 -16.461 -4.897 -2.106 1.00 0.00 H new ATOM 0 HB THR A 40 -17.051 -2.082 -3.128 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.946 -1.857 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.420 -2.693 -2.687 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.693 -3.776 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.909 -4.333 -2.222 1.00 0.00 H new ATOM 570 N TYR A 41 -16.668 -5.652 -4.475 1.00 0.00 N ATOM 571 CA TYR A 41 -16.689 -6.153 -5.855 1.00 0.00 C ATOM 572 C TYR A 41 -17.744 -7.232 -6.052 1.00 0.00 C ATOM 573 O TYR A 41 -18.163 -7.886 -5.092 1.00 0.00 O ATOM 574 CB TYR A 41 -15.298 -6.688 -6.260 1.00 0.00 C ATOM 575 CG TYR A 41 -14.867 -7.803 -5.322 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.296 -9.117 -5.551 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.040 -7.516 -4.230 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.897 -10.142 -4.686 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.641 -8.541 -3.367 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.069 -9.854 -3.594 1.00 0.00 C ATOM 581 OH TYR A 41 -13.675 -10.864 -2.743 1.00 0.00 O ATOM 0 H TYR A 41 -17.048 -6.297 -3.782 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.950 -5.313 -6.499 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.327 -7.057 -7.285 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.568 -5.879 -6.233 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.934 -9.338 -6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.710 -6.503 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.228 -11.155 -4.861 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.002 -8.319 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.661 -10.529 -1.822 1.00 0.00 H new ATOM 591 N ALA A 42 -18.129 -7.443 -7.314 1.00 0.00 N ATOM 592 CA ALA A 42 -19.095 -8.490 -7.664 1.00 0.00 C ATOM 593 C ALA A 42 -18.483 -9.434 -8.698 1.00 0.00 C ATOM 594 O ALA A 42 -17.815 -8.982 -9.638 1.00 0.00 O ATOM 595 CB ALA A 42 -20.382 -7.867 -8.202 1.00 0.00 C ATOM 0 H ALA A 42 -17.787 -6.904 -8.110 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.340 -9.061 -6.768 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.089 -8.656 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.819 -7.220 -7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.157 -7.279 -9.092 1.00 0.00 H new ATOM 601 N SER A 43 -18.662 -10.754 -8.489 1.00 0.00 N ATOM 602 CA SER A 43 -18.068 -11.754 -9.375 1.00 0.00 C ATOM 603 C SER A 43 -19.082 -12.793 -9.817 1.00 0.00 C ATOM 604 O SER A 43 -20.025 -13.112 -9.089 1.00 0.00 O ATOM 605 CB SER A 43 -16.909 -12.449 -8.672 1.00 0.00 C ATOM 606 OG SER A 43 -15.931 -11.486 -8.302 1.00 0.00 O ATOM 0 H SER A 43 -19.209 -11.142 -7.720 1.00 0.00 H new ATOM 0 HA SER A 43 -17.710 -11.232 -10.262 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.269 -12.975 -7.788 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.467 -13.197 -9.330 1.00 0.00 H new ATOM 0 HG SER A 43 -15.063 -11.740 -8.679 1.00 0.00 H new ATOM 612 N GLN A 44 -18.837 -13.357 -10.997 1.00 0.00 N ATOM 613 CA GLN A 44 -19.673 -14.416 -11.547 1.00 0.00 C ATOM 614 C GLN A 44 -18.793 -15.571 -12.007 1.00 0.00 C ATOM 615 O GLN A 44 -17.816 -15.366 -12.734 1.00 0.00 O ATOM 616 CB GLN A 44 -20.502 -13.885 -12.731 1.00 0.00 C ATOM 617 CG GLN A 44 -21.524 -14.945 -13.192 1.00 0.00 C ATOM 618 CD GLN A 44 -22.532 -15.248 -12.081 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.199 -14.340 -11.583 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.678 -16.475 -11.661 1.00 0.00 N ATOM 0 H GLN A 44 -18.055 -13.092 -11.596 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.357 -14.766 -10.774 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.022 -12.973 -12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.841 -13.624 -13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.049 -14.589 -14.078 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.003 -15.859 -13.476 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.124 -17.225 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.346 -16.684 -10.919 1.00 0.00 H new ATOM 629 N GLY A 45 -19.132 -16.778 -11.558 1.00 0.00 N ATOM 630 CA GLY A 45 -18.369 -17.970 -11.895 1.00 0.00 C ATOM 631 C GLY A 45 -18.854 -19.149 -11.081 1.00 0.00 C ATOM 632 O GLY A 45 -19.805 -19.022 -10.298 1.00 0.00 O ATOM 0 H GLY A 45 -19.937 -16.953 -10.956 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.470 -18.187 -12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.310 -17.798 -11.704 1.00 0.00 H new ATOM 636 N GLY A 46 -18.216 -20.302 -11.278 1.00 0.00 N ATOM 637 CA GLY A 46 -18.601 -21.521 -10.568 1.00 0.00 C ATOM 638 C GLY A 46 -17.559 -21.969 -9.529 1.00 0.00 C ATOM 639 O GLY A 46 -17.703 -23.052 -8.947 1.00 0.00 O ATOM 0 H GLY A 46 -17.433 -20.418 -11.921 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.556 -21.357 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.753 -22.323 -11.291 1.00 0.00 H new ATOM 643 N THR A 47 -16.501 -21.153 -9.304 1.00 0.00 N ATOM 644 CA THR A 47 -15.459 -21.528 -8.341 1.00 0.00 C ATOM 645 C THR A 47 -14.812 -20.316 -7.662 1.00 0.00 C ATOM 646 O THR A 47 -14.684 -19.242 -8.254 1.00 0.00 O ATOM 647 CB THR A 47 -14.389 -22.397 -9.026 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.418 -22.794 -8.069 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.711 -21.618 -10.162 1.00 0.00 C ATOM 0 H THR A 47 -16.355 -20.256 -9.767 1.00 0.00 H new ATOM 0 HA THR A 47 -15.946 -22.104 -7.554 1.00 0.00 H new ATOM 0 HB THR A 47 -14.869 -23.280 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.737 -23.349 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.957 -22.247 -10.635 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.458 -21.328 -10.901 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.236 -20.725 -9.757 1.00 0.00 H new ATOM 657 N ASN A 48 -14.378 -20.532 -6.417 1.00 0.00 N ATOM 658 CA ASN A 48 -13.706 -19.517 -5.621 1.00 0.00 C ATOM 659 C ASN A 48 -12.252 -19.346 -6.080 1.00 0.00 C ATOM 660 O ASN A 48 -11.692 -20.228 -6.739 1.00 0.00 O ATOM 661 CB ASN A 48 -13.752 -19.929 -4.143 1.00 0.00 C ATOM 662 CG ASN A 48 -12.966 -18.952 -3.267 1.00 0.00 C ATOM 663 OD1 ASN A 48 -13.395 -17.824 -3.055 1.00 0.00 O ATOM 664 ND2 ASN A 48 -11.824 -19.325 -2.755 1.00 0.00 N ATOM 0 H ASN A 48 -14.487 -21.425 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.215 -18.562 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.788 -19.969 -3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.341 -20.932 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.288 -18.677 -2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.468 -20.264 -2.932 1.00 0.00 H new ATOM 671 N GLU A 49 -11.655 -18.206 -5.719 1.00 0.00 N ATOM 672 CA GLU A 49 -10.270 -17.902 -6.082 1.00 0.00 C ATOM 673 C GLU A 49 -9.508 -17.374 -4.871 1.00 0.00 C ATOM 674 O GLU A 49 -10.088 -16.738 -3.993 1.00 0.00 O ATOM 675 CB GLU A 49 -10.234 -16.869 -7.212 1.00 0.00 C ATOM 676 CG GLU A 49 -8.792 -16.691 -7.739 1.00 0.00 C ATOM 677 CD GLU A 49 -8.262 -17.990 -8.377 1.00 0.00 C ATOM 678 OE1 GLU A 49 -9.068 -18.815 -8.794 1.00 0.00 O ATOM 679 OE2 GLU A 49 -7.054 -18.133 -8.445 1.00 0.00 O ATOM 0 H GLU A 49 -12.113 -17.476 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.792 -18.820 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.887 -17.187 -8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.616 -15.914 -6.851 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.768 -15.887 -8.474 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.138 -16.393 -6.920 1.00 0.00 H new ATOM 686 N GLN A 50 -8.209 -17.647 -4.842 1.00 0.00 N ATOM 687 CA GLN A 50 -7.349 -17.203 -3.745 1.00 0.00 C ATOM 688 C GLN A 50 -6.520 -15.991 -4.165 1.00 0.00 C ATOM 689 O GLN A 50 -5.815 -16.029 -5.174 1.00 0.00 O ATOM 690 CB GLN A 50 -6.430 -18.347 -3.303 1.00 0.00 C ATOM 691 CG GLN A 50 -7.277 -19.470 -2.698 1.00 0.00 C ATOM 692 CD GLN A 50 -6.389 -20.643 -2.292 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.289 -20.443 -1.775 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.806 -21.865 -2.494 1.00 0.00 N ATOM 0 H GLN A 50 -7.724 -18.176 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.981 -16.911 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.862 -18.722 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.707 -17.986 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.819 -19.098 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.022 -19.802 -3.421 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.717 -22.029 -2.922 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.220 -22.655 -2.223 1.00 0.00 H new ATOM 703 N TRP A 51 -6.635 -14.909 -3.389 1.00 0.00 N ATOM 704 CA TRP A 51 -5.920 -13.659 -3.669 1.00 0.00 C ATOM 705 C TRP A 51 -5.102 -13.209 -2.460 1.00 0.00 C ATOM 706 O TRP A 51 -5.532 -13.379 -1.315 1.00 0.00 O ATOM 707 CB TRP A 51 -6.918 -12.560 -4.038 1.00 0.00 C ATOM 708 CG TRP A 51 -7.556 -12.861 -5.359 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.493 -13.815 -5.571 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.341 -12.204 -6.643 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.854 -13.792 -6.910 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.169 -12.817 -7.611 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.505 -11.149 -7.060 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.174 -12.399 -8.945 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.508 -10.724 -8.402 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.339 -11.349 -9.343 1.00 0.00 C ATOM 0 H TRP A 51 -7.221 -14.874 -2.555 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.241 -13.840 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.684 -12.480 -3.266 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.409 -11.597 -4.083 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.893 -14.483 -4.822 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.542 -14.419 -7.327 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.858 -10.663 -6.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.818 -12.883 -9.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.866 -9.911 -8.709 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.335 -11.021 -10.372 1.00 0.00 H new ATOM 727 N GLN A 52 -3.939 -12.599 -2.727 1.00 0.00 N ATOM 728 CA GLN A 52 -3.074 -12.078 -1.657 1.00 0.00 C ATOM 729 C GLN A 52 -3.248 -10.575 -1.533 1.00 0.00 C ATOM 730 O GLN A 52 -3.532 -9.892 -2.524 1.00 0.00 O ATOM 731 CB GLN A 52 -1.592 -12.379 -1.934 1.00 0.00 C ATOM 732 CG GLN A 52 -1.370 -13.885 -2.076 1.00 0.00 C ATOM 733 CD GLN A 52 0.122 -14.176 -2.179 1.00 0.00 C ATOM 734 OE1 GLN A 52 0.643 -14.467 -3.338 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 0.838 -14.110 -1.181 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.576 -12.454 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.367 -12.572 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.276 -11.871 -2.845 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.978 -11.990 -1.122 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.794 -14.407 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.885 -14.256 -2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.430 -13.882 -0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.840 -14.283 -1.260 1.00 0.00 H new ATOM 744 N MET A 53 -3.056 -10.059 -0.316 1.00 0.00 N ATOM 745 CA MET A 53 -3.171 -8.621 -0.067 1.00 0.00 C ATOM 746 C MET A 53 -1.935 -8.139 0.656 1.00 0.00 C ATOM 747 O MET A 53 -1.379 -8.862 1.479 1.00 0.00 O ATOM 748 CB MET A 53 -4.409 -8.306 0.790 1.00 0.00 C ATOM 749 CG MET A 53 -5.670 -8.829 0.094 1.00 0.00 C ATOM 750 SD MET A 53 -7.146 -8.230 0.956 1.00 0.00 S ATOM 751 CE MET A 53 -6.981 -9.253 2.439 1.00 0.00 C ATOM 0 H MET A 53 -2.821 -10.613 0.508 1.00 0.00 H new ATOM 0 HA MET A 53 -3.273 -8.113 -1.026 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.308 -8.766 1.773 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.489 -7.230 0.948 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.686 -8.498 -0.945 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.663 -9.919 0.082 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.971 -9.495 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.454 -10.174 2.189 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.418 -8.707 3.197 1.00 0.00 H new ATOM 761 N SER A 54 -1.519 -6.913 0.357 1.00 0.00 N ATOM 762 CA SER A 54 -0.353 -6.321 1.000 1.00 0.00 C ATOM 763 C SER A 54 -0.599 -4.857 1.285 1.00 0.00 C ATOM 764 O SER A 54 -0.935 -4.091 0.374 1.00 0.00 O ATOM 765 CB SER A 54 0.879 -6.479 0.114 1.00 0.00 C ATOM 766 OG SER A 54 1.991 -5.846 0.735 1.00 0.00 O ATOM 0 H SER A 54 -1.974 -6.309 -0.328 1.00 0.00 H new ATOM 0 HA SER A 54 -0.177 -6.840 1.942 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.091 -7.536 -0.047 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.695 -6.038 -0.866 1.00 0.00 H new ATOM 0 HG SER A 54 2.784 -5.948 0.168 1.00 0.00 H new ATOM 772 N LEU A 55 -0.435 -4.465 2.552 1.00 0.00 N ATOM 773 CA LEU A 55 -0.647 -3.073 2.945 1.00 0.00 C ATOM 774 C LEU A 55 0.342 -2.659 4.012 1.00 0.00 C ATOM 775 O LEU A 55 0.749 -3.475 4.845 1.00 0.00 O ATOM 776 CB LEU A 55 -2.095 -2.863 3.438 1.00 0.00 C ATOM 777 CG LEU A 55 -2.425 -3.835 4.622 1.00 0.00 C ATOM 778 CD1 LEU A 55 -2.178 -3.136 5.970 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.903 -4.286 4.540 1.00 0.00 C ATOM 0 H LEU A 55 -0.159 -5.085 3.313 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.486 -2.444 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.228 -1.831 3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.792 -3.032 2.617 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.775 -4.707 4.547 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.411 -3.822 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.133 -2.835 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.815 -2.255 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.124 -4.961 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.554 -3.414 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.074 -4.801 3.595 1.00 0.00 H new ATOM 791 N GLY A 56 0.743 -1.389 3.964 1.00 0.00 N ATOM 792 CA GLY A 56 1.712 -0.859 4.912 1.00 0.00 C ATOM 793 C GLY A 56 1.508 0.626 5.137 1.00 0.00 C ATOM 794 O GLY A 56 0.795 1.293 4.376 1.00 0.00 O ATOM 0 H GLY A 56 0.410 -0.712 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.623 -1.388 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.721 -1.037 4.541 1.00 0.00 H new ATOM 798 N THR A 57 2.139 1.135 6.191 1.00 0.00 N ATOM 799 CA THR A 57 2.040 2.546 6.550 1.00 0.00 C ATOM 800 C THR A 57 3.436 3.122 6.754 1.00 0.00 C ATOM 801 O THR A 57 4.381 2.380 7.049 1.00 0.00 O ATOM 802 CB THR A 57 1.222 2.708 7.850 1.00 0.00 C ATOM 803 OG1 THR A 57 1.904 2.060 8.915 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.175 2.083 7.685 1.00 0.00 C ATOM 0 H THR A 57 2.729 0.586 6.816 1.00 0.00 H new ATOM 0 HA THR A 57 1.538 3.081 5.744 1.00 0.00 H new ATOM 0 HB THR A 57 1.110 3.770 8.069 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.389 2.162 9.743 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.740 2.205 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.702 2.579 6.870 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.074 1.021 7.459 1.00 0.00 H new ATOM 812 N SER A 58 3.558 4.445 6.612 1.00 0.00 N ATOM 813 CA SER A 58 4.844 5.116 6.800 1.00 0.00 C ATOM 814 C SER A 58 5.226 5.115 8.279 1.00 0.00 C ATOM 815 O SER A 58 4.370 4.902 9.146 1.00 0.00 O ATOM 816 CB SER A 58 4.763 6.549 6.295 1.00 0.00 C ATOM 817 OG SER A 58 3.947 7.298 7.170 1.00 0.00 O ATOM 0 H SER A 58 2.787 5.067 6.369 1.00 0.00 H new ATOM 0 HA SER A 58 5.605 4.578 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 58 5.760 6.987 6.242 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.352 6.570 5.286 1.00 0.00 H new ATOM 0 HG SER A 58 3.058 6.888 7.220 1.00 0.00 H new ATOM 823 N GLU A 59 6.512 5.353 8.563 1.00 0.00 N ATOM 824 CA GLU A 59 7.003 5.378 9.951 1.00 0.00 C ATOM 825 C GLU A 59 6.294 6.460 10.780 1.00 0.00 C ATOM 826 O GLU A 59 6.112 6.301 11.991 1.00 0.00 O ATOM 827 CB GLU A 59 8.531 5.589 9.978 1.00 0.00 C ATOM 828 CG GLU A 59 8.898 6.929 9.314 1.00 0.00 C ATOM 829 CD GLU A 59 10.412 7.114 9.308 1.00 0.00 C ATOM 830 OE1 GLU A 59 11.023 6.883 10.339 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.939 7.484 8.271 1.00 0.00 O ATOM 0 H GLU A 59 7.228 5.530 7.859 1.00 0.00 H new ATOM 0 HA GLU A 59 6.774 4.413 10.403 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.888 5.576 11.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.027 4.770 9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.517 6.954 8.293 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.426 7.751 9.851 1.00 0.00 H new ATOM 838 N ASP A 60 5.861 7.533 10.111 1.00 0.00 N ATOM 839 CA ASP A 60 5.132 8.620 10.777 1.00 0.00 C ATOM 840 C ASP A 60 3.616 8.541 10.497 1.00 0.00 C ATOM 841 O ASP A 60 2.866 9.445 10.877 1.00 0.00 O ATOM 842 CB ASP A 60 5.671 9.978 10.313 1.00 0.00 C ATOM 843 CG ASP A 60 5.318 11.066 11.329 1.00 0.00 C ATOM 844 OD1 ASP A 60 5.434 10.808 12.519 1.00 0.00 O ATOM 845 OD2 ASP A 60 4.935 12.143 10.902 1.00 0.00 O ATOM 0 H ASP A 60 6.002 7.673 9.111 1.00 0.00 H new ATOM 0 HA ASP A 60 5.286 8.512 11.851 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.753 9.924 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.251 10.230 9.339 1.00 0.00 H new ATOM 850 N HIS A 61 3.177 7.462 9.817 1.00 0.00 N ATOM 851 CA HIS A 61 1.763 7.282 9.474 1.00 0.00 C ATOM 852 C HIS A 61 1.241 8.459 8.629 1.00 0.00 C ATOM 853 O HIS A 61 0.047 8.765 8.638 1.00 0.00 O ATOM 854 CB HIS A 61 0.930 7.117 10.752 1.00 0.00 C ATOM 855 CG HIS A 61 1.319 5.830 11.435 1.00 0.00 C ATOM 856 ND1 HIS A 61 0.482 4.724 11.459 1.00 0.00 N ATOM 857 CD2 HIS A 61 2.461 5.452 12.100 1.00 0.00 C ATOM 858 CE1 HIS A 61 1.127 3.744 12.122 1.00 0.00 C ATOM 859 NE2 HIS A 61 2.335 4.135 12.534 1.00 0.00 N ATOM 0 H HIS A 61 3.785 6.707 9.498 1.00 0.00 H new ATOM 0 HA HIS A 61 1.667 6.378 8.873 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.096 7.962 11.420 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.133 7.107 10.509 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.324 6.081 12.261 1.00 0.00 H new ATOM 0 HE1 HIS A 61 0.716 2.761 12.299 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.019 3.587 13.055 1.00 0.00 H new ATOM 867 N GLN A 62 2.152 9.082 7.871 1.00 0.00 N ATOM 868 CA GLN A 62 1.813 10.182 6.968 1.00 0.00 C ATOM 869 C GLN A 62 1.235 9.664 5.637 1.00 0.00 C ATOM 870 O GLN A 62 0.419 10.341 5.003 1.00 0.00 O ATOM 871 CB GLN A 62 3.050 11.069 6.709 1.00 0.00 C ATOM 872 CG GLN A 62 4.190 10.227 6.116 1.00 0.00 C ATOM 873 CD GLN A 62 5.357 11.123 5.718 1.00 0.00 C ATOM 874 OE1 GLN A 62 5.182 12.069 4.951 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.547 10.880 6.197 1.00 0.00 N ATOM 0 H GLN A 62 3.142 8.836 7.868 1.00 0.00 H new ATOM 0 HA GLN A 62 1.044 10.783 7.453 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.791 11.877 6.025 1.00 0.00 H new ATOM 0 HB3 GLN A 62 3.376 11.532 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.522 9.488 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.831 9.678 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.690 10.095 6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.333 11.475 5.935 1.00 0.00 H new ATOM 884 N HIS A 63 1.658 8.451 5.231 1.00 0.00 N ATOM 885 CA HIS A 63 1.173 7.835 3.988 1.00 0.00 C ATOM 886 C HIS A 63 0.685 6.409 4.222 1.00 0.00 C ATOM 887 O HIS A 63 1.266 5.659 5.011 1.00 0.00 O ATOM 888 CB HIS A 63 2.265 7.834 2.912 1.00 0.00 C ATOM 889 CG HIS A 63 2.609 9.245 2.527 1.00 0.00 C ATOM 890 ND1 HIS A 63 1.711 10.061 1.860 1.00 0.00 N ATOM 891 CD2 HIS A 63 3.749 9.991 2.684 1.00 0.00 C ATOM 892 CE1 HIS A 63 2.320 11.237 1.640 1.00 0.00 C ATOM 893 NE2 HIS A 63 3.566 11.248 2.123 1.00 0.00 N ATOM 0 H HIS A 63 2.331 7.883 5.745 1.00 0.00 H new ATOM 0 HA HIS A 63 0.332 8.436 3.642 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.153 7.323 3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.923 7.282 2.036 1.00 0.00 H new ATOM 0 HD1 HIS A 63 0.760 9.814 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.652 9.652 3.170 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.859 12.073 1.134 1.00 0.00 H new ATOM 901 N PHE A 64 -0.390 6.048 3.520 1.00 0.00 N ATOM 902 CA PHE A 64 -0.988 4.707 3.623 1.00 0.00 C ATOM 903 C PHE A 64 -1.176 4.099 2.239 1.00 0.00 C ATOM 904 O PHE A 64 -1.585 4.793 1.305 1.00 0.00 O ATOM 905 CB PHE A 64 -2.348 4.797 4.325 1.00 0.00 C ATOM 906 CG PHE A 64 -2.152 5.276 5.743 1.00 0.00 C ATOM 907 CD1 PHE A 64 -1.973 6.637 5.993 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.154 4.365 6.804 1.00 0.00 C ATOM 909 CE1 PHE A 64 -1.792 7.087 7.300 1.00 0.00 C ATOM 910 CE2 PHE A 64 -1.974 4.818 8.115 1.00 0.00 C ATOM 911 CZ PHE A 64 -1.793 6.180 8.362 1.00 0.00 C ATOM 0 H PHE A 64 -0.871 6.668 2.868 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.316 4.073 4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.003 5.482 3.786 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.835 3.822 4.323 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.975 7.341 5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.295 3.312 6.611 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.651 8.140 7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.975 4.115 8.935 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.654 6.532 9.373 1.00 0.00 H new ATOM 921 N THR A 65 -0.888 2.795 2.111 1.00 0.00 N ATOM 922 CA THR A 65 -1.052 2.102 0.826 1.00 0.00 C ATOM 923 C THR A 65 -1.620 0.691 0.996 1.00 0.00 C ATOM 924 O THR A 65 -1.188 -0.066 1.870 1.00 0.00 O ATOM 925 CB THR A 65 0.286 2.052 0.064 1.00 0.00 C ATOM 926 OG1 THR A 65 0.099 1.391 -1.178 1.00 0.00 O ATOM 927 CG2 THR A 65 1.349 1.311 0.890 1.00 0.00 C ATOM 0 H THR A 65 -0.545 2.207 2.870 1.00 0.00 H new ATOM 0 HA THR A 65 -1.774 2.674 0.244 1.00 0.00 H new ATOM 0 HB THR A 65 0.630 3.072 -0.111 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.950 1.361 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.287 1.285 0.336 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.500 1.829 1.837 1.00 0.00 H new ATOM 0 HG23 THR A 65 1.014 0.292 1.084 1.00 0.00 H new ATOM 935 N CYS A 66 -2.551 0.335 0.104 1.00 0.00 N ATOM 936 CA CYS A 66 -3.150 -1.002 0.086 1.00 0.00 C ATOM 937 C CYS A 66 -3.109 -1.580 -1.335 1.00 0.00 C ATOM 938 O CYS A 66 -3.441 -0.883 -2.299 1.00 0.00 O ATOM 939 CB CYS A 66 -4.596 -0.951 0.594 1.00 0.00 C ATOM 940 SG CYS A 66 -4.614 -0.385 2.323 1.00 0.00 S ATOM 0 H CYS A 66 -2.907 0.960 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.574 -1.649 0.748 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.187 -0.277 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.054 -1.937 0.519 1.00 0.00 H new ATOM 945 N THR A 67 -2.660 -2.841 -1.463 1.00 0.00 N ATOM 946 CA THR A 67 -2.532 -3.482 -2.788 1.00 0.00 C ATOM 947 C THR A 67 -3.086 -4.918 -2.778 1.00 0.00 C ATOM 948 O THR A 67 -2.796 -5.695 -1.865 1.00 0.00 O ATOM 949 CB THR A 67 -1.053 -3.493 -3.209 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.542 -2.166 -3.163 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.903 -4.040 -4.640 1.00 0.00 C ATOM 0 H THR A 67 -2.383 -3.431 -0.679 1.00 0.00 H new ATOM 0 HA THR A 67 -3.118 -2.906 -3.504 1.00 0.00 H new ATOM 0 HB THR A 67 -0.498 -4.135 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.401 -2.169 -3.429 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.150 -4.040 -4.921 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.290 -5.058 -4.683 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.463 -3.410 -5.331 1.00 0.00 H new ATOM 959 N ILE A 68 -3.868 -5.264 -3.817 1.00 0.00 N ATOM 960 CA ILE A 68 -4.442 -6.622 -3.935 1.00 0.00 C ATOM 961 C ILE A 68 -4.158 -7.227 -5.327 1.00 0.00 C ATOM 962 O ILE A 68 -4.494 -6.628 -6.348 1.00 0.00 O ATOM 963 CB ILE A 68 -5.973 -6.598 -3.693 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.268 -5.960 -2.315 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.525 -8.053 -3.719 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.773 -5.717 -2.161 1.00 0.00 C ATOM 0 H ILE A 68 -4.116 -4.633 -4.579 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.967 -7.241 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.455 -6.012 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.914 -6.615 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.727 -5.018 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.602 -8.037 -3.549 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.318 -8.503 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.043 -8.639 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.971 -5.268 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.115 -5.045 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.304 -6.666 -2.238 1.00 0.00 H new ATOM 978 N TRP A 69 -3.626 -8.456 -5.338 1.00 0.00 N ATOM 979 CA TRP A 69 -3.388 -9.199 -6.591 1.00 0.00 C ATOM 980 C TRP A 69 -3.436 -10.715 -6.318 1.00 0.00 C ATOM 981 O TRP A 69 -3.333 -11.142 -5.162 1.00 0.00 O ATOM 982 CB TRP A 69 -2.028 -8.789 -7.228 1.00 0.00 C ATOM 983 CG TRP A 69 -0.876 -9.244 -6.374 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.119 -10.341 -6.614 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.372 -8.661 -5.148 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.832 -10.452 -5.618 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.714 -9.442 -4.688 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.743 -7.537 -4.399 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.407 -9.121 -3.528 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.048 -7.209 -3.222 1.00 0.00 C ATOM 991 CH2 TRP A 69 1.027 -8.003 -2.790 1.00 0.00 C ATOM 0 H TRP A 69 -3.351 -8.960 -4.495 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.174 -8.949 -7.303 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.942 -9.225 -8.223 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.990 -7.706 -7.349 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.239 -11.018 -7.447 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.535 -11.190 -5.576 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.566 -6.920 -4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.234 -9.734 -3.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.342 -6.343 -2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.559 -7.746 -1.886 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.591 -11.514 -7.380 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.651 -12.973 -7.232 1.00 0.00 C ATOM 1004 C ARG A 70 -2.222 -13.596 -7.174 1.00 0.00 C ATOM 1005 O ARG A 70 -1.269 -12.996 -7.674 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.484 -13.595 -8.365 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.800 -13.353 -9.702 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.744 -13.706 -10.844 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.261 -13.115 -12.103 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.338 -11.783 -12.375 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.856 -10.933 -11.508 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -3.890 -11.336 -13.516 1.00 0.00 N ATOM 0 H ARG A 70 -3.676 -11.181 -8.340 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.142 -13.198 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.603 -14.665 -8.196 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.484 -13.161 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.496 -12.309 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.894 -13.955 -9.770 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.815 -14.789 -10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.747 -13.340 -10.623 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.850 -13.732 -12.804 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.209 -11.270 -10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.903 -9.939 -11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.487 -11.983 -14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.943 -10.340 -13.730 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.060 -14.781 -6.556 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.718 -15.458 -6.432 1.00 0.00 C ATOM 1028 C PRO A 71 -0.232 -16.125 -7.729 1.00 0.00 C ATOM 1029 O PRO A 71 0.965 -16.114 -8.033 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.985 -16.529 -5.381 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.412 -16.895 -5.601 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.123 -15.602 -5.910 1.00 0.00 C ATOM 0 HA PRO A 71 0.064 -14.740 -6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.327 -17.389 -5.510 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.820 -16.150 -4.373 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.512 -17.603 -6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.834 -17.372 -4.717 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.973 -15.758 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.507 -15.127 -5.007 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.161 -16.764 -8.441 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.834 -17.516 -9.658 1.00 0.00 C ATOM 1042 C GLN A 72 -0.351 -16.614 -10.780 1.00 0.00 C ATOM 1043 O GLN A 72 0.502 -17.007 -11.583 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.047 -18.330 -10.119 1.00 0.00 C ATOM 1045 CG GLN A 72 -2.291 -19.483 -9.139 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.493 -20.315 -9.583 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -3.688 -20.538 -10.780 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -4.309 -20.797 -8.685 1.00 0.00 N ATOM 0 H GLN A 72 -2.151 -16.777 -8.196 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.015 -18.192 -9.411 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.928 -17.691 -10.172 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.876 -18.721 -11.122 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.404 -20.115 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.464 -19.087 -8.138 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.146 -20.611 -7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.110 -21.359 -8.973 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.961 -15.450 -10.874 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.677 -14.501 -11.953 1.00 0.00 C ATOM 1059 C GLY A 73 -1.742 -14.592 -13.064 1.00 0.00 C ATOM 1060 O GLY A 73 -1.870 -13.677 -13.882 1.00 0.00 O ATOM 0 H GLY A 73 -1.667 -15.128 -10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.650 -13.488 -11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.309 -14.705 -12.372 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.537 -15.688 -13.056 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.621 -15.871 -14.027 1.00 0.00 C ATOM 1066 C LYS A 74 -4.854 -16.507 -13.366 1.00 0.00 C ATOM 1067 O LYS A 74 -4.793 -17.637 -12.876 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.156 -16.754 -15.214 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.492 -18.061 -14.705 1.00 0.00 C ATOM 1070 CD LYS A 74 -1.949 -18.878 -15.890 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.110 -19.538 -16.645 1.00 0.00 C ATOM 1072 NZ LYS A 74 -2.568 -20.438 -17.702 1.00 0.00 N ATOM 0 H LYS A 74 -2.442 -16.452 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.893 -14.884 -14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.009 -16.998 -15.847 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.449 -16.199 -15.831 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.681 -17.821 -14.017 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.218 -18.653 -14.148 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.388 -18.230 -16.563 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.257 -19.640 -15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.732 -20.106 -15.953 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.747 -18.775 -17.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.355 -20.886 -18.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.992 -19.884 -18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.978 -21.173 -17.263 1.00 0.00 H new ATOM 1086 N SER A 75 -5.983 -15.786 -13.403 1.00 0.00 N ATOM 1087 CA SER A 75 -7.255 -16.298 -12.866 1.00 0.00 C ATOM 1088 C SER A 75 -8.314 -16.381 -13.960 1.00 0.00 C ATOM 1089 O SER A 75 -8.388 -15.499 -14.822 1.00 0.00 O ATOM 1090 CB SER A 75 -7.763 -15.411 -11.728 1.00 0.00 C ATOM 1091 OG SER A 75 -6.894 -15.527 -10.613 1.00 0.00 O ATOM 0 H SER A 75 -6.043 -14.848 -13.798 1.00 0.00 H new ATOM 0 HA SER A 75 -7.068 -17.299 -12.478 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.813 -14.373 -12.057 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.774 -15.706 -11.447 1.00 0.00 H new ATOM 0 HG SER A 75 -7.219 -14.958 -9.885 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.165 -17.423 -13.900 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.256 -17.575 -14.873 1.00 0.00 C ATOM 1099 C TYR A 76 -11.628 -17.461 -14.189 1.00 0.00 C ATOM 1100 O TYR A 76 -12.252 -18.467 -13.827 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.136 -18.924 -15.610 1.00 0.00 C ATOM 1102 CG TYR A 76 -9.059 -18.844 -16.674 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.717 -19.068 -16.338 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -9.410 -18.550 -17.997 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -6.728 -18.997 -17.331 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -8.424 -18.479 -18.986 1.00 0.00 C ATOM 1107 CZ TYR A 76 -7.081 -18.701 -18.654 1.00 0.00 C ATOM 1108 OH TYR A 76 -6.105 -18.633 -19.633 1.00 0.00 O ATOM 0 H TYR A 76 -9.117 -18.161 -13.197 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.172 -16.768 -15.601 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.898 -19.715 -14.899 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.091 -19.183 -16.067 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.445 -19.295 -15.318 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -10.445 -18.378 -18.254 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.693 -19.171 -17.075 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.698 -18.253 -20.006 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.520 -18.419 -20.494 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.104 -16.222 -14.072 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.422 -15.926 -13.508 1.00 0.00 C ATOM 1120 C LEU A 77 -14.079 -14.784 -14.271 1.00 0.00 C ATOM 1121 O LEU A 77 -13.386 -13.892 -14.776 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.324 -15.584 -12.011 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.114 -16.867 -11.180 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.688 -16.487 -9.763 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.432 -17.653 -11.105 1.00 0.00 C ATOM 0 H LEU A 77 -11.587 -15.394 -14.366 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.039 -16.819 -13.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.497 -14.894 -11.842 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.233 -15.077 -11.687 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.345 -17.479 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.539 -17.391 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.757 -15.922 -9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.464 -15.877 -9.301 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.282 -18.559 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.197 -17.037 -10.633 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.753 -17.922 -12.111 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.417 -14.789 -14.324 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.156 -13.722 -14.989 1.00 0.00 C ATOM 1139 C TYR A 78 -16.607 -12.708 -13.953 1.00 0.00 C ATOM 1140 O TYR A 78 -17.653 -12.873 -13.316 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.363 -14.300 -15.733 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.970 -13.241 -16.629 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.415 -12.990 -17.889 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -19.091 -12.517 -16.202 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.977 -12.015 -18.722 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.653 -11.540 -17.034 1.00 0.00 C ATOM 1147 CZ TYR A 78 -19.096 -11.289 -18.295 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.650 -10.329 -19.117 1.00 0.00 O ATOM 0 H TYR A 78 -16.002 -15.518 -13.915 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.511 -13.230 -15.717 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -17.057 -15.161 -16.328 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.106 -14.654 -15.019 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.552 -13.549 -18.219 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.522 -12.712 -15.231 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.547 -11.823 -19.694 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.516 -10.980 -16.703 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.420 -9.920 -18.670 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.781 -11.682 -13.757 1.00 0.00 N ATOM 1159 CA PHE A 79 -16.049 -10.658 -12.755 1.00 0.00 C ATOM 1160 C PHE A 79 -17.094 -9.677 -13.250 1.00 0.00 C ATOM 1161 O PHE A 79 -17.071 -9.279 -14.406 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.758 -9.913 -12.412 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.795 -10.857 -11.722 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.787 -11.497 -12.459 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.905 -11.084 -10.346 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.893 -12.363 -11.817 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.012 -11.950 -9.705 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.006 -12.589 -10.441 1.00 0.00 C ATOM 0 H PHE A 79 -14.918 -11.540 -14.282 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.433 -11.147 -11.860 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.305 -9.514 -13.319 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.977 -9.064 -11.765 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.701 -11.322 -13.521 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.680 -10.591 -9.778 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.117 -12.856 -12.384 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.098 -12.126 -8.643 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.317 -13.257 -9.946 1.00 0.00 H new ATOM 1178 N THR A 80 -18.026 -9.306 -12.366 1.00 0.00 N ATOM 1179 CA THR A 80 -19.075 -8.354 -12.717 1.00 0.00 C ATOM 1180 C THR A 80 -18.513 -6.926 -12.749 1.00 0.00 C ATOM 1181 O THR A 80 -18.905 -6.112 -13.589 1.00 0.00 O ATOM 1182 CB THR A 80 -20.234 -8.457 -11.712 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.705 -9.797 -11.685 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.389 -7.529 -12.127 1.00 0.00 C ATOM 0 H THR A 80 -18.072 -9.651 -11.407 1.00 0.00 H new ATOM 0 HA THR A 80 -19.452 -8.594 -13.711 1.00 0.00 H new ATOM 0 HB THR A 80 -19.876 -8.159 -10.726 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.443 -9.871 -11.045 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.201 -7.614 -11.405 1.00 0.00 H new ATOM 0 HG22 THR A 80 -21.035 -6.498 -12.156 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.750 -7.816 -13.115 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.666 -6.605 -11.755 1.00 0.00 N ATOM 1193 CA GLN A 81 -17.116 -5.241 -11.598 1.00 0.00 C ATOM 1194 C GLN A 81 -16.192 -5.171 -10.384 1.00 0.00 C ATOM 1195 O GLN A 81 -16.150 -6.106 -9.578 1.00 0.00 O ATOM 1196 CB GLN A 81 -18.260 -4.218 -11.434 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.184 -4.639 -10.255 1.00 0.00 C ATOM 1198 CD GLN A 81 -18.612 -4.160 -8.925 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -17.819 -3.228 -8.886 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -18.978 -4.750 -7.820 1.00 0.00 N ATOM 0 H GLN A 81 -17.346 -7.268 -11.049 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.544 -5.000 -12.494 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.848 -3.226 -11.248 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.838 -4.155 -12.356 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -20.180 -4.221 -10.400 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -19.292 -5.724 -10.241 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.639 -5.527 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -18.603 -4.435 -6.925 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.451 -4.054 -10.253 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.528 -3.886 -9.107 1.00 0.00 C ATOM 1211 C PHE A 82 -14.633 -2.492 -8.479 1.00 0.00 C ATOM 1212 O PHE A 82 -14.781 -1.496 -9.193 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.086 -4.090 -9.541 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.893 -5.453 -10.172 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.695 -5.562 -11.557 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.902 -6.599 -9.375 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.504 -6.816 -12.137 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -12.714 -7.854 -9.960 1.00 0.00 C ATOM 1219 CZ PHE A 82 -12.513 -7.959 -11.343 1.00 0.00 C ATOM 0 H PHE A 82 -15.469 -3.271 -10.907 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.819 -4.636 -8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.804 -3.314 -10.252 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -12.426 -3.988 -8.680 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.691 -4.675 -12.174 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.054 -6.516 -8.309 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.349 -6.900 -13.203 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.724 -8.743 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.365 -8.929 -11.794 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.489 -2.423 -7.136 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.500 -1.130 -6.426 1.00 0.00 C ATOM 1231 C LYS A 83 -13.547 -1.162 -5.233 1.00 0.00 C ATOM 1232 O LYS A 83 -13.428 -2.187 -4.552 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.909 -0.789 -5.935 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.854 -0.761 -7.119 1.00 0.00 C ATOM 1235 CD LYS A 83 -18.262 -0.442 -6.650 1.00 0.00 C ATOM 1236 CE LYS A 83 -19.186 -0.473 -7.848 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.580 -0.167 -7.414 1.00 0.00 N ATOM 0 H LYS A 83 -14.366 -3.236 -6.532 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.172 -0.365 -7.130 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.242 -1.528 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.908 0.178 -5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.524 -0.014 -7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.841 -1.724 -7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.586 -1.167 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.290 0.539 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.858 0.254 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.149 -1.453 -8.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.152 0.094 -8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.994 -1.005 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.568 0.624 -6.738 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.905 -0.025 -4.959 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.994 0.101 -3.813 1.00 0.00 C ATOM 1253 C ALA A 84 -12.094 1.492 -3.211 1.00 0.00 C ATOM 1254 O ALA A 84 -12.187 2.484 -3.943 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.555 -0.173 -4.251 1.00 0.00 C ATOM 0 H ALA A 84 -12.998 0.825 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.281 -0.632 -3.059 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.889 -0.077 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.484 -1.183 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.265 0.545 -5.018 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.073 1.564 -1.873 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.161 2.850 -1.181 1.00 0.00 C ATOM 1263 C GLU A 85 -11.479 2.776 0.176 1.00 0.00 C ATOM 1264 O GLU A 85 -11.307 1.690 0.719 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.638 3.275 -1.034 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.426 2.218 -0.216 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.914 2.613 -0.059 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.294 3.691 -0.506 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.650 1.823 0.510 1.00 0.00 O ATOM 0 H GLU A 85 -11.997 0.755 -1.257 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.644 3.603 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.697 4.245 -0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.089 3.392 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.356 1.249 -0.710 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.972 2.107 0.769 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.089 3.938 0.718 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.422 3.986 2.023 1.00 0.00 C ATOM 1278 C VAL A 86 -11.069 5.004 2.944 1.00 0.00 C ATOM 1279 O VAL A 86 -11.841 5.860 2.496 1.00 0.00 O ATOM 1280 CB VAL A 86 -8.929 4.291 1.881 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.240 3.193 1.046 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -8.717 5.660 1.203 1.00 0.00 C ATOM 0 H VAL A 86 -11.223 4.848 0.277 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.533 2.997 2.467 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.490 4.318 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.178 3.420 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.362 2.229 1.540 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.692 3.152 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.649 5.859 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.171 5.649 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.181 6.440 1.806 1.00 0.00 H new ATOM 1292 N ARG A 87 -10.771 4.884 4.241 1.00 0.00 N ATOM 1293 CA ARG A 87 -11.348 5.776 5.245 1.00 0.00 C ATOM 1294 C ARG A 87 -10.316 6.259 6.240 1.00 0.00 C ATOM 1295 O ARG A 87 -9.293 5.601 6.477 1.00 0.00 O ATOM 1296 CB ARG A 87 -12.466 5.061 5.963 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.638 4.861 4.997 1.00 0.00 C ATOM 1298 CD ARG A 87 -14.562 3.823 5.564 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.701 3.602 4.654 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.856 4.317 4.718 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.029 5.264 5.620 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.812 4.063 3.868 1.00 0.00 N ATOM 0 H ARG A 87 -10.136 4.180 4.617 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.735 6.656 4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.118 4.098 6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -12.787 5.640 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.171 5.801 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.272 4.547 4.020 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.022 2.889 5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.925 4.143 6.541 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.619 2.877 3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.288 5.473 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.904 5.787 5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.689 3.334 3.165 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.683 4.593 3.906 1.00 0.00 H new ATOM 1316 N GLY A 88 -10.608 7.419 6.822 1.00 0.00 N ATOM 1317 CA GLY A 88 -9.728 8.045 7.811 1.00 0.00 C ATOM 1318 C GLY A 88 -8.573 8.833 7.154 1.00 0.00 C ATOM 1319 O GLY A 88 -7.721 9.383 7.856 1.00 0.00 O ATOM 0 H GLY A 88 -11.456 7.951 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.312 8.717 8.439 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.315 7.276 8.464 1.00 0.00 H new ATOM 1323 N ALA A 89 -8.548 8.871 5.807 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.491 9.564 5.068 1.00 0.00 C ATOM 1325 C ALA A 89 -8.012 10.091 3.728 1.00 0.00 C ATOM 1326 O ALA A 89 -9.140 9.789 3.328 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.298 8.615 4.840 1.00 0.00 C ATOM 0 H ALA A 89 -9.251 8.428 5.215 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.161 10.417 5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.516 9.139 4.290 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.906 8.286 5.802 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.627 7.748 4.267 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.170 10.869 3.038 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.524 11.437 1.732 1.00 0.00 C ATOM 1335 C GLU A 90 -6.836 10.668 0.619 1.00 0.00 C ATOM 1336 O GLU A 90 -5.890 9.913 0.861 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.163 12.935 1.667 1.00 0.00 C ATOM 1338 CG GLU A 90 -5.665 13.140 1.935 1.00 0.00 C ATOM 1339 CD GLU A 90 -5.331 14.628 1.903 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -5.743 15.285 0.962 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -4.672 15.086 2.820 1.00 0.00 O ATOM 0 H GLU A 90 -6.236 11.120 3.363 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.602 11.347 1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.421 13.335 0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.749 13.488 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.399 12.719 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.077 12.610 1.186 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.407 10.766 -0.569 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.960 9.980 -1.724 1.00 0.00 C ATOM 1350 C ILE A 91 -5.857 10.692 -2.505 1.00 0.00 C ATOM 1351 O ILE A 91 -6.084 11.759 -3.084 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.170 9.709 -2.664 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.403 9.142 -1.856 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.769 8.735 -3.796 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.093 7.786 -1.185 1.00 0.00 C ATOM 0 H ILE A 91 -8.191 11.388 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.551 9.041 -1.352 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.468 10.657 -3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.697 9.863 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.253 9.026 -2.529 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.627 8.557 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.958 9.170 -4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.439 7.791 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.972 7.439 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.826 7.055 -1.948 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.262 7.905 -0.490 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.691 10.040 -2.588 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.579 10.552 -3.388 1.00 0.00 C ATOM 1369 C GLU A 92 -3.701 10.051 -4.823 1.00 0.00 C ATOM 1370 O GLU A 92 -3.516 10.810 -5.777 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.242 10.089 -2.810 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.055 10.658 -1.409 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.705 10.223 -0.852 1.00 0.00 C ATOM 1374 OE1 GLU A 92 0.298 10.537 -1.470 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.695 9.581 0.185 1.00 0.00 O ATOM 0 H GLU A 92 -4.496 9.160 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.617 11.641 -3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.208 9.000 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.426 10.413 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.114 11.746 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.857 10.313 -0.756 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.023 8.757 -4.958 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.185 8.122 -6.266 1.00 0.00 C ATOM 1384 C TYR A 93 -4.667 6.676 -6.093 1.00 0.00 C ATOM 1385 O TYR A 93 -4.241 5.978 -5.167 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.840 8.148 -7.051 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.937 9.062 -8.270 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.286 10.304 -8.275 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -3.678 8.657 -9.385 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.378 11.138 -9.396 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -3.770 9.491 -10.507 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.120 10.732 -10.512 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.210 11.553 -11.616 1.00 0.00 O ATOM 0 H TYR A 93 -4.177 8.129 -4.169 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.931 8.678 -6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.039 8.492 -6.397 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.580 7.138 -7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.714 10.617 -7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.180 7.701 -9.381 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.877 12.095 -9.400 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.342 9.177 -11.368 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.761 11.120 -12.301 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.536 6.236 -7.005 1.00 0.00 N ATOM 1404 CA ALA A 94 -6.060 4.868 -6.983 1.00 0.00 C ATOM 1405 C ALA A 94 -6.285 4.365 -8.403 1.00 0.00 C ATOM 1406 O ALA A 94 -6.818 5.093 -9.248 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.374 4.818 -6.199 1.00 0.00 C ATOM 0 H ALA A 94 -5.893 6.808 -7.770 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.329 4.225 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.754 3.796 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.200 5.150 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.106 5.472 -6.673 1.00 0.00 H new ATOM 1413 N MET A 95 -5.865 3.122 -8.664 1.00 0.00 N ATOM 1414 CA MET A 95 -6.011 2.525 -9.994 1.00 0.00 C ATOM 1415 C MET A 95 -5.776 1.011 -9.967 1.00 0.00 C ATOM 1416 O MET A 95 -5.264 0.468 -8.985 1.00 0.00 O ATOM 1417 CB MET A 95 -5.054 3.204 -10.998 1.00 0.00 C ATOM 1418 CG MET A 95 -3.595 3.014 -10.554 1.00 0.00 C ATOM 1419 SD MET A 95 -2.495 3.869 -11.710 1.00 0.00 S ATOM 1420 CE MET A 95 -2.887 5.557 -11.189 1.00 0.00 C ATOM 0 H MET A 95 -5.424 2.513 -7.975 1.00 0.00 H new ATOM 0 HA MET A 95 -7.038 2.691 -10.318 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.197 2.780 -11.992 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.284 4.267 -11.069 1.00 0.00 H new ATOM 0 HG2 MET A 95 -3.457 3.406 -9.546 1.00 0.00 H new ATOM 0 HG3 MET A 95 -3.350 1.953 -10.520 1.00 0.00 H new ATOM 0 HE1 MET A 95 -1.968 6.140 -11.123 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.556 6.016 -11.917 1.00 0.00 H new ATOM 0 HE3 MET A 95 -3.373 5.533 -10.214 1.00 0.00 H new ATOM 1430 N ALA A 96 -6.132 0.353 -11.070 1.00 0.00 N ATOM 1431 CA ALA A 96 -5.943 -1.091 -11.220 1.00 0.00 C ATOM 1432 C ALA A 96 -5.010 -1.368 -12.388 1.00 0.00 C ATOM 1433 O ALA A 96 -5.076 -0.676 -13.400 1.00 0.00 O ATOM 1434 CB ALA A 96 -7.288 -1.771 -11.478 1.00 0.00 C ATOM 0 H ALA A 96 -6.557 0.802 -11.881 1.00 0.00 H new ATOM 0 HA ALA A 96 -5.508 -1.486 -10.302 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.138 -2.845 -11.588 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.958 -1.583 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.729 -1.371 -12.391 1.00 0.00 H new ATOM 1440 N TYR A 97 -4.140 -2.384 -12.251 1.00 0.00 N ATOM 1441 CA TYR A 97 -3.203 -2.727 -13.340 1.00 0.00 C ATOM 1442 C TYR A 97 -3.583 -4.042 -14.004 1.00 0.00 C ATOM 1443 O TYR A 97 -3.378 -5.116 -13.435 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.769 -2.827 -12.812 1.00 0.00 C ATOM 1445 CG TYR A 97 -1.258 -1.462 -12.353 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.892 -1.265 -11.014 1.00 0.00 C ATOM 1447 CD2 TYR A 97 -1.138 -0.402 -13.271 1.00 0.00 C ATOM 1448 CE1 TYR A 97 -0.411 -0.020 -10.595 1.00 0.00 C ATOM 1449 CE2 TYR A 97 -0.659 0.843 -12.844 1.00 0.00 C ATOM 1450 CZ TYR A 97 -0.296 1.032 -11.508 1.00 0.00 C ATOM 1451 OH TYR A 97 0.181 2.258 -11.090 1.00 0.00 O ATOM 0 H TYR A 97 -4.064 -2.970 -11.420 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.263 -1.928 -14.079 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.732 -3.531 -11.981 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -1.117 -3.220 -13.592 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.981 -2.075 -10.305 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -1.415 -0.549 -14.304 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.128 0.129 -9.563 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -0.570 1.657 -13.548 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.518 2.936 -11.201 1.00 0.00 H new ATOM 1461 N SER A 98 -4.105 -3.952 -15.231 1.00 0.00 N ATOM 1462 CA SER A 98 -4.479 -5.142 -16.003 1.00 0.00 C ATOM 1463 C SER A 98 -3.250 -5.983 -16.318 1.00 0.00 C ATOM 1464 O SER A 98 -3.295 -7.216 -16.258 1.00 0.00 O ATOM 1465 CB SER A 98 -5.161 -4.730 -17.303 1.00 0.00 C ATOM 1466 OG SER A 98 -6.396 -4.095 -17.004 1.00 0.00 O ATOM 0 H SER A 98 -4.278 -3.069 -15.711 1.00 0.00 H new ATOM 0 HA SER A 98 -5.170 -5.736 -15.404 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.518 -4.054 -17.866 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.331 -5.605 -17.931 1.00 0.00 H new ATOM 0 HG SER A 98 -7.136 -4.698 -17.226 1.00 0.00 H new ATOM 1472 N LYS A 99 -2.155 -5.299 -16.661 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.899 -5.958 -16.998 1.00 0.00 C ATOM 1474 C LYS A 99 0.249 -5.401 -16.159 1.00 0.00 C ATOM 1475 O LYS A 99 0.443 -4.183 -16.074 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.606 -5.809 -18.523 1.00 0.00 C ATOM 1477 CG LYS A 99 0.839 -6.271 -18.868 1.00 0.00 C ATOM 1478 CD LYS A 99 1.005 -6.400 -20.385 1.00 0.00 C ATOM 1479 CE LYS A 99 0.299 -7.666 -20.880 1.00 0.00 C ATOM 1480 NZ LYS A 99 0.591 -7.861 -22.327 1.00 0.00 N ATOM 0 H LYS A 99 -2.118 -4.281 -16.712 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.990 -7.020 -16.769 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.324 -6.398 -19.093 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.739 -4.769 -18.821 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.561 -5.555 -18.475 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.047 -7.228 -18.389 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.589 -5.523 -20.881 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.064 -6.439 -20.642 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.637 -8.531 -20.310 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.776 -7.581 -20.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.112 -8.720 -22.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.248 -7.039 -22.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.617 -7.960 -22.464 1.00 0.00 H new ATOM 1494 N ALA A 100 1.046 -6.317 -15.614 1.00 0.00 N ATOM 1495 CA ALA A 100 2.230 -5.955 -14.861 1.00 0.00 C ATOM 1496 C ALA A 100 3.405 -5.820 -15.814 1.00 0.00 C ATOM 1497 O ALA A 100 3.698 -6.738 -16.586 1.00 0.00 O ATOM 1498 CB ALA A 100 2.536 -7.017 -13.803 1.00 0.00 C ATOM 0 H ALA A 100 0.886 -7.322 -15.685 1.00 0.00 H new ATOM 0 HA ALA A 100 2.056 -5.005 -14.355 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.428 -6.730 -13.247 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.692 -7.102 -13.118 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.706 -7.977 -14.290 1.00 0.00 H new ATOM 1599 N ASP A 107 3.691 -1.440 -18.341 1.00 0.00 N ATOM 1600 CA ASP A 107 2.607 -1.556 -17.364 1.00 0.00 C ATOM 1601 C ASP A 107 1.347 -0.875 -17.901 1.00 0.00 C ATOM 1602 O ASP A 107 1.344 0.344 -18.110 1.00 0.00 O ATOM 1603 CB ASP A 107 3.019 -0.899 -16.048 1.00 0.00 C ATOM 1604 CG ASP A 107 1.927 -1.083 -15.004 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.710 -2.212 -14.595 1.00 0.00 O ATOM 1606 OD2 ASP A 107 1.324 -0.094 -14.629 1.00 0.00 O ATOM 0 HA ASP A 107 2.401 -2.612 -17.190 1.00 0.00 H new ATOM 0 HB2 ASP A 107 3.951 -1.337 -15.691 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.206 0.163 -16.206 1.00 0.00 H new ATOM 1611 N VAL A 108 0.286 -1.664 -18.149 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.961 -1.105 -18.691 1.00 0.00 C ATOM 1613 C VAL A 108 -1.987 -0.854 -17.540 1.00 0.00 C ATOM 1614 O VAL A 108 -2.562 -1.813 -17.015 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.564 -2.084 -19.739 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.846 -1.491 -20.344 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.551 -2.330 -20.869 1.00 0.00 C ATOM 0 H VAL A 108 0.267 -2.671 -17.986 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.741 -0.153 -19.175 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.797 -3.024 -19.239 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.258 -2.186 -21.076 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.577 -1.321 -19.553 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.614 -0.545 -20.833 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.980 -3.016 -21.599 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.313 -1.385 -21.356 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.359 -2.764 -20.454 1.00 0.00 H new ATOM 1627 N PRO A 109 -2.262 0.423 -17.161 1.00 0.00 N ATOM 1628 CA PRO A 109 -3.260 0.748 -16.099 1.00 0.00 C ATOM 1629 C PRO A 109 -4.679 0.891 -16.654 1.00 0.00 C ATOM 1630 O PRO A 109 -4.874 1.444 -17.742 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.761 2.087 -15.581 1.00 0.00 C ATOM 1632 CG PRO A 109 -2.234 2.775 -16.797 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.647 1.678 -17.693 1.00 0.00 C ATOM 0 HA PRO A 109 -3.332 -0.033 -15.342 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -3.564 2.659 -15.116 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.984 1.958 -14.828 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -3.028 3.315 -17.313 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -1.472 3.507 -16.530 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.902 1.837 -18.741 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.559 1.649 -17.631 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.668 0.460 -15.862 1.00 0.00 N ATOM 1642 CA LEU A 110 -7.080 0.613 -16.236 1.00 0.00 C ATOM 1643 C LEU A 110 -7.547 2.044 -15.984 1.00 0.00 C ATOM 1644 O LEU A 110 -7.022 2.728 -15.099 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.964 -0.386 -15.475 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.738 -1.807 -16.028 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -8.343 -2.839 -15.057 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.407 -1.956 -17.436 1.00 0.00 C ATOM 0 H LEU A 110 -5.518 0.004 -14.962 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.173 0.400 -17.301 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.728 -0.358 -14.411 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.013 -0.109 -15.577 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.667 -1.981 -16.128 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.183 -3.844 -15.448 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.862 -2.748 -14.083 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.412 -2.656 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.239 -2.965 -17.814 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.478 -1.774 -17.351 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.970 -1.233 -18.125 1.00 0.00 H new ATOM 1660 N LYS A 111 -8.484 2.509 -16.815 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.969 3.889 -16.742 1.00 0.00 C ATOM 1662 C LYS A 111 -9.776 4.161 -15.460 1.00 0.00 C ATOM 1663 O LYS A 111 -10.489 3.287 -14.959 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.808 4.227 -18.005 1.00 0.00 C ATOM 1665 CG LYS A 111 -11.165 3.484 -17.996 1.00 0.00 C ATOM 1666 CD LYS A 111 -11.914 3.773 -19.303 1.00 0.00 C ATOM 1667 CE LYS A 111 -13.265 3.054 -19.288 1.00 0.00 C ATOM 1668 NZ LYS A 111 -13.991 3.334 -20.560 1.00 0.00 N ATOM 0 H LYS A 111 -8.922 1.949 -17.547 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.096 4.541 -16.706 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -9.980 5.302 -18.052 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.248 3.954 -18.900 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -11.004 2.412 -17.886 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.762 3.806 -17.143 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -12.063 4.847 -19.419 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -11.322 3.439 -20.155 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.116 1.981 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -13.858 3.389 -18.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -14.807 2.694 -20.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -14.323 4.320 -20.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -13.351 3.184 -21.366 1.00 0.00 H new ATOM 1682 N THR A 112 -9.708 5.411 -14.996 1.00 0.00 N ATOM 1683 CA THR A 112 -10.481 5.863 -13.834 1.00 0.00 C ATOM 1684 C THR A 112 -11.984 5.769 -14.153 1.00 0.00 C ATOM 1685 O THR A 112 -12.795 5.416 -13.294 1.00 0.00 O ATOM 1686 CB THR A 112 -10.090 7.315 -13.477 1.00 0.00 C ATOM 1687 OG1 THR A 112 -8.698 7.366 -13.204 1.00 0.00 O ATOM 1688 CG2 THR A 112 -10.860 7.783 -12.231 1.00 0.00 C ATOM 0 H THR A 112 -9.121 6.134 -15.411 1.00 0.00 H new ATOM 0 HA THR A 112 -10.262 5.227 -12.977 1.00 0.00 H new ATOM 0 HB THR A 112 -10.337 7.966 -14.316 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.442 8.285 -12.978 1.00 0.00 H new ATOM 0 HG21 THR A 112 -10.575 8.807 -11.991 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.931 7.741 -12.428 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.620 7.133 -11.390 1.00 0.00 H new ATOM 1696 N GLU A 113 -12.329 6.101 -15.401 1.00 0.00 N ATOM 1697 CA GLU A 113 -13.710 6.083 -15.879 1.00 0.00 C ATOM 1698 C GLU A 113 -14.380 4.715 -15.647 1.00 0.00 C ATOM 1699 O GLU A 113 -15.597 4.606 -15.730 1.00 0.00 O ATOM 1700 CB GLU A 113 -13.724 6.406 -17.368 1.00 0.00 C ATOM 1701 CG GLU A 113 -15.155 6.672 -17.838 1.00 0.00 C ATOM 1702 CD GLU A 113 -15.162 7.054 -19.314 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -14.756 6.231 -20.121 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -15.573 8.161 -19.618 1.00 0.00 O ATOM 0 H GLU A 113 -11.654 6.390 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 113 -14.273 6.829 -15.318 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -13.101 7.279 -17.564 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.297 5.576 -17.931 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -15.768 5.784 -17.682 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -15.597 7.473 -17.245 1.00 0.00 H new ATOM 1711 N GLU A 114 -13.574 3.680 -15.372 1.00 0.00 N ATOM 1712 CA GLU A 114 -14.094 2.333 -15.131 1.00 0.00 C ATOM 1713 C GLU A 114 -14.989 2.320 -13.882 1.00 0.00 C ATOM 1714 O GLU A 114 -16.009 1.624 -13.845 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.918 1.353 -14.935 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.447 -0.088 -14.728 1.00 0.00 C ATOM 1717 CD GLU A 114 -12.293 -1.104 -14.560 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -11.135 -0.703 -14.618 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.593 -2.270 -14.377 1.00 0.00 O ATOM 0 H GLU A 114 -12.558 3.753 -15.312 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.688 2.026 -15.992 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.261 1.385 -15.804 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.323 1.656 -14.074 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.088 -0.117 -13.847 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.063 -0.375 -15.580 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.570 3.061 -12.861 1.00 0.00 N ATOM 1727 CA PHE A 115 -15.300 3.111 -11.582 1.00 0.00 C ATOM 1728 C PHE A 115 -15.068 4.436 -10.853 1.00 0.00 C ATOM 1729 O PHE A 115 -14.144 5.183 -11.184 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.907 1.914 -10.689 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.418 1.939 -10.391 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.946 2.597 -9.256 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.520 1.300 -11.256 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.573 2.622 -8.978 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -11.146 1.324 -10.982 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.673 1.985 -9.842 1.00 0.00 C ATOM 0 H PHE A 115 -13.729 3.638 -12.886 1.00 0.00 H new ATOM 0 HA PHE A 115 -16.365 3.044 -11.803 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.471 1.947 -9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -15.169 0.980 -11.187 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.640 3.088 -8.590 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.887 0.789 -12.134 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.209 3.132 -8.098 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.453 0.833 -11.649 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.614 2.004 -9.629 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.948 4.736 -9.891 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.886 5.994 -9.144 1.00 0.00 C ATOM 1748 C GLU A 116 -15.552 5.751 -7.659 1.00 0.00 C ATOM 1749 O GLU A 116 -16.217 4.962 -6.982 1.00 0.00 O ATOM 1750 CB GLU A 116 -17.237 6.727 -9.281 1.00 0.00 C ATOM 1751 CG GLU A 116 -17.195 8.095 -8.557 1.00 0.00 C ATOM 1752 CD GLU A 116 -16.155 9.038 -9.198 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -15.805 8.829 -10.355 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -15.727 9.954 -8.518 1.00 0.00 O ATOM 0 H GLU A 116 -16.713 4.122 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.088 6.610 -9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.470 6.875 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.034 6.113 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.181 8.559 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -16.953 7.945 -7.505 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.534 6.469 -7.165 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.117 6.375 -5.757 1.00 0.00 C ATOM 1763 C VAL A 117 -14.057 7.782 -5.142 1.00 0.00 C ATOM 1764 O VAL A 117 -13.423 8.684 -5.700 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.732 5.683 -5.645 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.302 5.567 -4.170 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -12.807 4.281 -6.251 1.00 0.00 C ATOM 0 H VAL A 117 -13.982 7.123 -7.720 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.846 5.775 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.001 6.286 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.329 5.079 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.236 6.562 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.037 4.977 -3.622 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.833 3.798 -6.171 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.550 3.692 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.091 4.353 -7.301 1.00 0.00 H new ATOM 1777 N THR A 118 -14.703 7.946 -3.987 1.00 0.00 N ATOM 1778 CA THR A 118 -14.713 9.227 -3.278 1.00 0.00 C ATOM 1779 C THR A 118 -14.427 9.028 -1.805 1.00 0.00 C ATOM 1780 O THR A 118 -14.483 7.904 -1.294 1.00 0.00 O ATOM 1781 CB THR A 118 -16.050 9.966 -3.462 1.00 0.00 C ATOM 1782 OG1 THR A 118 -17.106 9.196 -2.923 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.305 10.227 -4.949 1.00 0.00 C ATOM 0 H THR A 118 -15.228 7.206 -3.521 1.00 0.00 H new ATOM 0 HA THR A 118 -13.925 9.843 -3.711 1.00 0.00 H new ATOM 0 HB THR A 118 -16.000 10.920 -2.937 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.162 8.340 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.254 10.750 -5.069 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.499 10.839 -5.354 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.344 9.278 -5.484 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.104 10.123 -1.134 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.779 10.102 0.291 1.00 0.00 C ATOM 1793 C LYS A 119 -14.920 9.517 1.136 1.00 0.00 C ATOM 1794 O LYS A 119 -14.689 9.085 2.272 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.450 11.528 0.771 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.676 12.454 0.565 1.00 0.00 C ATOM 1797 CD LYS A 119 -14.385 13.885 1.118 1.00 0.00 C ATOM 1798 CE LYS A 119 -15.193 14.142 2.402 1.00 0.00 C ATOM 1799 NZ LYS A 119 -14.522 13.474 3.552 1.00 0.00 N ATOM 0 H LYS A 119 -14.059 11.050 -1.557 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.911 9.456 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.170 11.510 1.824 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.594 11.917 0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.921 12.511 -0.496 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.545 12.033 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.320 13.992 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.640 14.631 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.273 15.213 2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -16.208 13.761 2.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -15.067 13.647 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.468 12.451 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.562 13.857 3.664 1.00 0.00 H new ATOM 1813 N THR A 120 -16.153 9.550 0.600 1.00 0.00 N ATOM 1814 CA THR A 120 -17.316 9.062 1.355 1.00 0.00 C ATOM 1815 C THR A 120 -18.375 8.386 0.467 1.00 0.00 C ATOM 1816 O THR A 120 -19.529 8.236 0.887 1.00 0.00 O ATOM 1817 CB THR A 120 -17.945 10.215 2.157 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.039 9.720 2.918 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.434 11.321 1.209 1.00 0.00 C ATOM 0 H THR A 120 -16.366 9.902 -0.333 1.00 0.00 H new ATOM 0 HA THR A 120 -16.950 8.294 2.037 1.00 0.00 H new ATOM 0 HB THR A 120 -17.192 10.634 2.825 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.494 9.012 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.876 12.130 1.791 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.592 11.706 0.634 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.181 10.913 0.528 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.979 7.967 -0.744 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.907 7.291 -1.660 1.00 0.00 C ATOM 1829 C ALA A 121 -18.157 6.426 -2.674 1.00 0.00 C ATOM 1830 O ALA A 121 -17.007 6.704 -3.013 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.797 8.320 -2.380 1.00 0.00 C ATOM 0 H ALA A 121 -17.033 8.083 -1.108 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.543 6.633 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.479 7.802 -3.055 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.372 8.882 -1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.171 9.005 -2.952 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.829 5.378 -3.150 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.254 4.470 -4.138 1.00 0.00 C ATOM 1839 C VAL A 122 -19.358 3.937 -5.071 1.00 0.00 C ATOM 1840 O VAL A 122 -20.422 3.522 -4.601 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.515 3.317 -3.417 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -18.500 2.487 -2.574 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -16.814 2.417 -4.442 1.00 0.00 C ATOM 0 H VAL A 122 -19.778 5.137 -2.864 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.530 5.006 -4.752 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.767 3.749 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -17.962 1.681 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -18.969 3.127 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -19.267 2.064 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.297 1.609 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -17.554 1.996 -5.123 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.092 3.005 -5.009 1.00 0.00 H new ATOM 1853 N ALA A 123 -19.102 3.971 -6.389 1.00 0.00 N ATOM 1854 CA ALA A 123 -20.089 3.507 -7.374 1.00 0.00 C ATOM 1855 C ALA A 123 -19.424 3.079 -8.682 1.00 0.00 C ATOM 1856 O ALA A 123 -18.349 3.568 -9.032 1.00 0.00 O ATOM 1857 CB ALA A 123 -21.108 4.610 -7.654 1.00 0.00 C ATOM 0 H ALA A 123 -18.229 4.311 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.593 2.638 -6.951 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.835 4.257 -8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.622 4.874 -6.730 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.595 5.488 -8.047 1.00 0.00 H new ATOM 1863 N HIS A 124 -20.100 2.182 -9.411 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.610 1.699 -10.706 1.00 0.00 C ATOM 1865 C HIS A 124 -19.898 2.713 -11.811 1.00 0.00 C ATOM 1866 O HIS A 124 -20.814 3.533 -11.694 1.00 0.00 O ATOM 1867 CB HIS A 124 -20.247 0.331 -11.060 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.756 0.452 -11.139 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.555 0.475 -10.007 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.611 0.567 -12.205 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.832 0.600 -10.416 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.921 0.660 -11.747 1.00 0.00 N ATOM 0 H HIS A 124 -20.990 1.776 -9.124 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.530 1.571 -10.626 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.854 -0.024 -12.013 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.975 -0.409 -10.308 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -22.312 0.583 -13.243 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.680 0.646 -9.749 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.768 0.754 -12.308 1.00 0.00 H new ATOM 1880 N ARG A 125 -19.119 2.630 -12.887 1.00 0.00 N ATOM 1881 CA ARG A 125 -19.283 3.517 -14.037 1.00 0.00 C ATOM 1882 C ARG A 125 -19.711 2.717 -15.292 1.00 0.00 C ATOM 1883 O ARG A 125 -19.347 1.543 -15.417 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.971 4.240 -14.321 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.591 5.144 -13.133 1.00 0.00 C ATOM 1886 CD ARG A 125 -18.443 6.415 -13.153 1.00 0.00 C ATOM 1887 NE ARG A 125 -18.112 7.233 -14.334 1.00 0.00 N ATOM 1888 CZ ARG A 125 -18.815 8.339 -14.694 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -19.857 8.748 -13.995 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -18.451 9.011 -15.752 1.00 0.00 N ATOM 0 H ARG A 125 -18.363 1.953 -12.987 1.00 0.00 H new ATOM 0 HA ARG A 125 -20.062 4.243 -13.802 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -17.179 3.513 -14.502 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -18.067 4.839 -15.227 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.742 4.609 -12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.534 5.404 -13.186 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -19.501 6.152 -13.169 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.271 6.991 -12.243 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.317 6.955 -14.909 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -20.150 8.231 -13.166 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -20.370 9.581 -14.284 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.647 8.704 -16.299 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -18.971 9.843 -16.032 1.00 0.00 H new ATOM 1904 N PRO A 126 -20.436 3.334 -16.254 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.837 2.634 -17.524 1.00 0.00 C ATOM 1906 C PRO A 126 -19.608 2.132 -18.284 1.00 0.00 C ATOM 1907 O PRO A 126 -18.561 2.788 -18.278 1.00 0.00 O ATOM 1908 CB PRO A 126 -21.559 3.726 -18.329 1.00 0.00 C ATOM 1909 CG PRO A 126 -22.028 4.706 -17.308 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.949 4.734 -16.237 1.00 0.00 C ATOM 0 HA PRO A 126 -21.458 1.757 -17.341 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.888 4.195 -19.049 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -22.395 3.313 -18.894 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -22.168 5.693 -17.748 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -22.988 4.405 -16.889 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -20.166 5.455 -16.470 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -21.353 5.006 -15.262 1.00 0.00 H new ATOM 1918 N GLY A 127 -19.740 0.966 -18.928 1.00 0.00 N ATOM 1919 CA GLY A 127 -18.624 0.380 -19.685 1.00 0.00 C ATOM 1920 C GLY A 127 -17.646 -0.397 -18.777 1.00 0.00 C ATOM 1921 O GLY A 127 -16.527 -0.710 -19.192 1.00 0.00 O ATOM 0 H GLY A 127 -20.598 0.414 -18.942 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -19.018 -0.290 -20.449 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -18.084 1.172 -20.204 1.00 0.00 H new ATOM 1925 N ALA A 128 -18.076 -0.689 -17.536 1.00 0.00 N ATOM 1926 CA ALA A 128 -17.242 -1.408 -16.573 1.00 0.00 C ATOM 1927 C ALA A 128 -16.689 -2.701 -17.177 1.00 0.00 C ATOM 1928 O ALA A 128 -17.294 -3.293 -18.075 1.00 0.00 O ATOM 1929 CB ALA A 128 -18.046 -1.726 -15.311 1.00 0.00 C ATOM 0 H ALA A 128 -18.998 -0.435 -17.182 1.00 0.00 H new ATOM 0 HA ALA A 128 -16.401 -0.765 -16.312 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.414 -2.261 -14.602 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -18.394 -0.798 -14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.904 -2.346 -15.572 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.522 -3.115 -16.678 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.845 -4.329 -17.157 1.00 0.00 C ATOM 1937 C PHE A 129 -15.377 -5.562 -16.464 1.00 0.00 C ATOM 1938 O PHE A 129 -15.718 -5.517 -15.277 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.338 -4.230 -16.919 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.718 -3.266 -17.909 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -12.677 -1.899 -17.633 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -12.184 -3.753 -19.102 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -12.100 -1.014 -18.551 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.608 -2.872 -20.022 1.00 0.00 C ATOM 1945 CZ PHE A 129 -11.564 -1.502 -19.747 1.00 0.00 C ATOM 0 H PHE A 129 -15.021 -2.625 -15.937 1.00 0.00 H new ATOM 0 HA PHE A 129 -15.042 -4.414 -18.226 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -13.144 -3.893 -15.901 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.880 -5.214 -17.022 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -13.091 -1.523 -16.709 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.216 -4.811 -19.315 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -12.069 0.044 -18.336 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -11.197 -3.250 -20.946 1.00 0.00 H new ATOM 0 HZ PHE A 129 -11.117 -0.822 -20.457 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.435 -6.677 -17.211 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.917 -7.942 -16.653 1.00 0.00 C ATOM 1957 C LYS A 130 -15.012 -9.108 -17.051 1.00 0.00 C ATOM 1958 O LYS A 130 -14.427 -9.775 -16.194 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.348 -8.220 -17.122 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.276 -7.120 -16.616 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.700 -7.392 -17.092 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.623 -6.282 -16.597 1.00 0.00 C ATOM 1963 NZ LYS A 130 -22.005 -6.530 -17.084 1.00 0.00 N ATOM 0 H LYS A 130 -15.157 -6.724 -18.191 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.902 -7.850 -15.567 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.382 -8.266 -18.210 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.681 -9.189 -16.751 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.247 -7.079 -15.527 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.939 -6.150 -16.981 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.727 -7.444 -18.180 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -20.042 -8.357 -16.718 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.612 -6.244 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.269 -5.315 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -22.633 -5.773 -16.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -22.009 -6.545 -18.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -22.341 -7.446 -16.723 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.908 -9.342 -18.362 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.088 -10.428 -18.903 1.00 0.00 C ATOM 1979 C ALA A 131 -12.621 -10.254 -18.525 1.00 0.00 C ATOM 1980 O ALA A 131 -11.912 -11.241 -18.291 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.236 -10.501 -20.424 1.00 0.00 C ATOM 0 H ALA A 131 -15.386 -8.788 -19.073 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.441 -11.363 -18.467 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.620 -11.313 -20.811 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.280 -10.683 -20.680 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.913 -9.559 -20.867 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.165 -8.998 -18.491 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.771 -8.696 -18.163 1.00 0.00 C ATOM 1989 C GLU A 132 -10.527 -8.816 -16.659 1.00 0.00 C ATOM 1990 O GLU A 132 -11.345 -8.375 -15.849 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.405 -7.283 -18.638 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.891 -7.067 -18.497 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.510 -5.682 -18.995 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.215 -5.558 -20.172 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -8.516 -4.765 -18.194 1.00 0.00 O ATOM 0 H GLU A 132 -12.739 -8.178 -18.686 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.139 -9.421 -18.677 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.706 -7.148 -19.677 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.945 -6.540 -18.051 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.596 -7.180 -17.454 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.353 -7.826 -19.065 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.376 -9.396 -16.303 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.979 -9.558 -14.900 1.00 0.00 C ATOM 2004 C LEU A 133 -7.814 -8.618 -14.581 1.00 0.00 C ATOM 2005 O LEU A 133 -7.105 -8.183 -15.496 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.582 -11.025 -14.613 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.447 -11.499 -15.584 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.542 -12.536 -14.877 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -8.068 -12.137 -16.863 1.00 0.00 C ATOM 0 H LEU A 133 -8.699 -9.763 -16.972 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.826 -9.304 -14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.245 -11.119 -13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.454 -11.670 -14.724 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.848 -10.634 -15.869 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -5.756 -12.859 -15.560 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -6.091 -12.083 -13.994 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -7.140 -13.397 -14.578 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -7.271 -12.463 -17.531 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.679 -12.995 -16.582 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.689 -11.400 -17.372 1.00 0.00 H new ATOM 2021 N SER A 134 -7.652 -8.247 -13.287 1.00 0.00 N ATOM 2022 CA SER A 134 -6.604 -7.292 -12.908 1.00 0.00 C ATOM 2023 C SER A 134 -6.380 -7.229 -11.391 1.00 0.00 C ATOM 2024 O SER A 134 -7.084 -7.876 -10.614 1.00 0.00 O ATOM 2025 CB SER A 134 -6.972 -5.902 -13.448 1.00 0.00 C ATOM 2026 OG SER A 134 -5.960 -4.972 -13.108 1.00 0.00 O ATOM 0 H SER A 134 -8.222 -8.589 -12.513 1.00 0.00 H new ATOM 0 HA SER A 134 -5.667 -7.635 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.093 -5.943 -14.531 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.927 -5.582 -13.033 1.00 0.00 H new ATOM 0 HG SER A 134 -6.198 -4.087 -13.456 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.405 -6.394 -10.990 1.00 0.00 N ATOM 2033 CA LYS A 135 -5.079 -6.175 -9.578 1.00 0.00 C ATOM 2034 C LYS A 135 -5.403 -4.735 -9.199 1.00 0.00 C ATOM 2035 O LYS A 135 -5.502 -3.864 -10.073 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.579 -6.464 -9.294 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.673 -5.631 -10.226 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.223 -6.192 -10.209 1.00 0.00 C ATOM 2039 CE LYS A 135 -1.024 -7.193 -11.359 1.00 0.00 C ATOM 2040 NZ LYS A 135 -1.773 -8.444 -11.061 1.00 0.00 N ATOM 0 H LYS A 135 -4.826 -5.857 -11.635 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.677 -6.862 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.350 -6.231 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.376 -7.525 -9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -3.067 -5.652 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.671 -4.589 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.508 -5.374 -10.302 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.026 -6.680 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.374 -6.761 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.036 -7.412 -11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -1.422 -9.212 -11.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.635 -8.702 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -2.786 -8.294 -11.243 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.620 -4.502 -7.905 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.999 -3.170 -7.411 1.00 0.00 C ATOM 2056 C LEU A 136 -4.901 -2.565 -6.543 1.00 0.00 C ATOM 2057 O LEU A 136 -4.266 -3.266 -5.757 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.293 -3.269 -6.584 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.457 -3.811 -7.438 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.643 -4.133 -6.525 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.896 -2.752 -8.459 1.00 0.00 C ATOM 0 H LEU A 136 -5.541 -5.213 -7.178 1.00 0.00 H new ATOM 0 HA LEU A 136 -6.153 -2.526 -8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.131 -3.923 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.553 -2.286 -6.191 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.127 -4.708 -7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.469 -4.517 -7.124 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.345 -4.884 -5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.960 -3.228 -6.007 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.718 -3.143 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -9.224 -1.855 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.058 -2.505 -9.111 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.723 -1.241 -6.656 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.747 -0.520 -5.835 1.00 0.00 C ATOM 2075 C VAL A 137 -4.287 0.868 -5.455 1.00 0.00 C ATOM 2076 O VAL A 137 -4.704 1.646 -6.317 1.00 0.00 O ATOM 2077 CB VAL A 137 -2.382 -0.423 -6.568 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -2.533 0.324 -7.899 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -1.343 0.300 -5.681 1.00 0.00 C ATOM 0 H VAL A 137 -5.242 -0.651 -7.307 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.585 -1.076 -4.912 1.00 0.00 H new ATOM 0 HB VAL A 137 -2.035 -1.436 -6.770 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.565 0.381 -8.396 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -3.238 -0.209 -8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.904 1.332 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.392 0.360 -6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.696 1.306 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -1.208 -0.255 -4.753 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.318 1.136 -4.148 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.837 2.410 -3.627 1.00 0.00 C ATOM 2091 C ILE A 138 -3.832 3.061 -2.675 1.00 0.00 C ATOM 2092 O ILE A 138 -3.375 2.432 -1.714 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.200 2.195 -2.906 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.201 1.473 -3.859 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.790 3.560 -2.488 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -7.016 -0.049 -3.773 1.00 0.00 C ATOM 0 H ILE A 138 -3.991 0.491 -3.429 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.992 3.079 -4.473 1.00 0.00 H new ATOM 0 HB ILE A 138 -6.037 1.580 -2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.224 1.737 -3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -7.043 1.808 -4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.744 3.405 -1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.099 4.063 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.944 4.176 -3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.721 -0.540 -4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.998 -0.309 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.197 -0.380 -2.750 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.524 4.334 -2.931 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.607 5.099 -2.079 1.00 0.00 C ATOM 2110 C VAL A 139 -3.344 6.315 -1.504 1.00 0.00 C ATOM 2111 O VAL A 139 -3.908 7.121 -2.251 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.363 5.550 -2.897 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.393 6.348 -2.006 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.632 4.317 -3.448 1.00 0.00 C ATOM 0 H VAL A 139 -3.896 4.859 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.264 4.469 -1.258 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.700 6.183 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.472 6.656 -2.594 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.900 7.231 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.063 5.723 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.239 4.636 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.310 3.685 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.305 3.754 -4.095 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.346 6.425 -0.171 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.034 7.526 0.513 1.00 0.00 C ATOM 2126 C ALA A 140 -3.129 8.185 1.543 1.00 0.00 C ATOM 2127 O ALA A 140 -2.246 7.543 2.105 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.303 7.017 1.188 1.00 0.00 C ATOM 0 H ALA A 140 -2.880 5.767 0.454 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.299 8.272 -0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.804 7.844 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.969 6.592 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.044 6.250 1.918 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.349 9.484 1.762 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.550 10.263 2.703 1.00 0.00 C ATOM 2136 C LYS A 141 -3.333 10.529 3.984 1.00 0.00 C ATOM 2137 O LYS A 141 -4.530 10.811 3.934 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.168 11.593 2.072 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.063 12.251 2.906 1.00 0.00 C ATOM 2140 CD LYS A 141 -0.598 13.561 2.246 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.664 14.651 2.417 1.00 0.00 C ATOM 2142 NZ LYS A 141 -1.139 15.937 1.878 1.00 0.00 N ATOM 0 H LYS A 141 -4.081 10.019 1.295 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.654 9.693 2.946 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.824 11.438 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.038 12.247 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.430 12.454 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.219 11.568 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 141 0.341 13.888 2.693 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.406 13.394 1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -2.577 14.369 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.922 14.762 3.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -1.858 16.680 1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -0.279 16.205 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.914 15.824 0.869 1.00 0.00 H new ATOM 2156 N ALA A 142 -2.645 10.453 5.130 1.00 0.00 N ATOM 2157 CA ALA A 142 -3.286 10.700 6.423 1.00 0.00 C ATOM 2158 C ALA A 142 -3.868 12.113 6.479 1.00 0.00 C ATOM 2159 O ALA A 142 -3.235 13.073 6.027 1.00 0.00 O ATOM 2160 CB ALA A 142 -2.281 10.492 7.572 1.00 0.00 C ATOM 0 H ALA A 142 -1.653 10.224 5.186 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.102 9.987 6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -2.775 10.680 8.526 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -1.911 9.467 7.551 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -1.445 11.182 7.454 1.00 0.00 H new