USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ -173:sc= -1.48 (180deg=-1.84) USER MOD Set 1.2: A 124 HIS : no HD1:sc= 0.198 K(o=-1.3,f=-3.3) USER MOD Set 2.1: A 95 MET CE :methyl -158:sc= -3.31 (180deg=-6.4!) USER MOD Set 2.2: A 97 TYR OH : rot -76:sc= 1.4 USER MOD Set 3.1: A 58 SER OG : rot 170:sc= -0.0813 USER MOD Set 3.2: A 62 GLN : amide:sc= 0 X(o=-0.081,f=-0.47) USER MOD Set 4.1: A 24 SER OG : rot -78:sc= 0.0278 USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0.03 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= -1.05 X(o=-1,f=-1.5) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -2.75 K(o=-2.8,f=-6.2!) USER MOD Single : A 28 ASN : amide:sc= -0.963 K(o=-0.96,f=-3.4!) USER MOD Single : A 34 LYS NZ :NH3+ -157:sc= -0.0311 (180deg=-0.363) USER MOD Single : A 35 TYR OH : rot 35:sc= -2.34! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 38 MET CE :methyl 175:sc= -1.61 (180deg=-1.74) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -123:sc= 1.83 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00785 USER MOD Single : A 48 ASN : amide:sc= -1.06 K(o=-1.1,f=-4!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.317 F(o=-1.6,f=-0.32) USER MOD Single : A 53 MET CE :methyl -129:sc= -1.34 (180deg=-4.76!) 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 61 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.54 F(o=-1.8,f=-0.54) USER MOD Single : A 65 THR OG1 : rot -53:sc= 1 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0796 K(o=-0.08,f=-1.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 160:sc= -0.863 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.289 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= -0.854 X(o=-0.85,f=-0.38) USER MOD Single : A 93 TYR OH : rot 171:sc= 1.21 USER MOD Single : A 98 SER OG : rot -40:sc= -2.15 USER MOD Single : A 99 LYS NZ :NH3+ 128:sc= 0.0342 (180deg=-0.158) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -31:sc= 0.344 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 39:sc= -1.84! USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 177:sc= 0.108 (180deg=0.105) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.940 -4.102 7.808 1.00 0.00 N ATOM 107 CA PRO A 9 3.518 -4.095 7.315 1.00 0.00 C ATOM 108 C PRO A 9 2.761 -5.368 7.683 1.00 0.00 C ATOM 109 O PRO A 9 3.367 -6.401 7.986 1.00 0.00 O ATOM 110 CB PRO A 9 3.668 -3.977 5.796 1.00 0.00 C ATOM 111 CG PRO A 9 4.988 -4.593 5.494 1.00 0.00 C ATOM 112 CD PRO A 9 5.893 -4.230 6.662 1.00 0.00 C ATOM 0 HA PRO A 9 2.939 -3.288 7.764 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.862 -4.496 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.635 -2.936 5.475 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.900 -5.674 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.391 -4.214 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.642 -5.001 6.845 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.431 -3.300 6.480 1.00 0.00 H new ATOM 120 N THR A 10 1.429 -5.273 7.655 1.00 0.00 N ATOM 121 CA THR A 10 0.561 -6.397 7.984 1.00 0.00 C ATOM 122 C THR A 10 -0.062 -6.966 6.701 1.00 0.00 C ATOM 123 O THR A 10 -0.588 -6.217 5.870 1.00 0.00 O ATOM 124 CB THR A 10 -0.536 -5.924 8.961 1.00 0.00 C ATOM 125 OG1 THR A 10 0.078 -5.411 10.137 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.460 -7.092 9.346 1.00 0.00 C ATOM 0 H THR A 10 0.929 -4.420 7.405 1.00 0.00 H new ATOM 0 HA THR A 10 1.142 -7.186 8.462 1.00 0.00 H new ATOM 0 HB THR A 10 -1.130 -5.151 8.474 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.614 -5.107 10.761 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.226 -6.738 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.935 -7.491 8.450 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.875 -7.876 9.826 1.00 0.00 H new ATOM 134 N THR A 11 0.045 -8.290 6.533 1.00 0.00 N ATOM 135 CA THR A 11 -0.462 -8.964 5.332 1.00 0.00 C ATOM 136 C THR A 11 -1.615 -9.898 5.675 1.00 0.00 C ATOM 137 O THR A 11 -1.519 -10.725 6.588 1.00 0.00 O ATOM 138 CB THR A 11 0.690 -9.736 4.637 1.00 0.00 C ATOM 139 OG1 THR A 11 1.727 -8.821 4.306 1.00 0.00 O ATOM 140 CG2 THR A 11 0.203 -10.421 3.341 1.00 0.00 C ATOM 0 H THR A 11 0.478 -8.915 7.213 1.00 0.00 H new ATOM 0 HA THR A 11 -0.845 -8.211 4.644 1.00 0.00 H new ATOM 0 HB THR A 11 1.051 -10.503 5.322 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.460 -9.302 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.033 -10.954 2.877 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.593 -11.126 3.579 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.175 -9.667 2.651 1.00 0.00 H new ATOM 148 N VAL A 12 -2.704 -9.754 4.919 1.00 0.00 N ATOM 149 CA VAL A 12 -3.895 -10.570 5.104 1.00 0.00 C ATOM 150 C VAL A 12 -4.396 -11.106 3.772 1.00 0.00 C ATOM 151 O VAL A 12 -4.108 -10.538 2.730 1.00 0.00 O ATOM 152 CB VAL A 12 -5.005 -9.761 5.793 1.00 0.00 C ATOM 153 CG1 VAL A 12 -4.556 -9.360 7.189 1.00 0.00 C ATOM 154 CG2 VAL A 12 -5.343 -8.495 4.981 1.00 0.00 C ATOM 0 H VAL A 12 -2.781 -9.071 4.166 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.627 -11.413 5.741 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.897 -10.385 5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.346 -8.786 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.345 -10.255 7.774 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.655 -8.751 7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.131 -7.938 5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.454 -7.870 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.683 -8.781 3.986 1.00 0.00 H new ATOM 164 N ALA A 13 -5.163 -12.195 3.825 1.00 0.00 N ATOM 165 CA ALA A 13 -5.718 -12.810 2.621 1.00 0.00 C ATOM 166 C ALA A 13 -7.229 -12.947 2.737 1.00 0.00 C ATOM 167 O ALA A 13 -7.766 -13.095 3.840 1.00 0.00 O ATOM 168 CB ALA A 13 -5.089 -14.186 2.390 1.00 0.00 C ATOM 0 H ALA A 13 -5.414 -12.670 4.692 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.489 -12.166 1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.512 -14.633 1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.011 -14.078 2.270 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.296 -14.829 3.246 1.00 0.00 H new ATOM 174 N PHE A 14 -7.911 -12.892 1.589 1.00 0.00 N ATOM 175 CA PHE A 14 -9.369 -13.009 1.552 1.00 0.00 C ATOM 176 C PHE A 14 -9.823 -13.863 0.367 1.00 0.00 C ATOM 177 O PHE A 14 -9.075 -14.047 -0.599 1.00 0.00 O ATOM 178 CB PHE A 14 -10.024 -11.607 1.504 1.00 0.00 C ATOM 179 CG PHE A 14 -9.647 -10.875 0.222 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.465 -10.980 -0.910 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.487 -10.097 0.176 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.121 -10.304 -2.088 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.143 -9.420 -1.003 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.959 -9.524 -2.133 1.00 0.00 C ATOM 0 H PHE A 14 -7.476 -12.767 0.675 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.693 -13.509 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -11.108 -11.705 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.707 -11.023 2.368 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.361 -11.582 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.855 -10.017 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.752 -10.384 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.247 -8.818 -1.038 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.693 -9.003 -3.041 1.00 0.00 H new ATOM 194 N ASP A 15 -11.045 -14.398 0.465 1.00 0.00 N ATOM 195 CA ASP A 15 -11.596 -15.255 -0.580 1.00 0.00 C ATOM 196 C ASP A 15 -12.581 -14.503 -1.454 1.00 0.00 C ATOM 197 O ASP A 15 -13.567 -13.944 -0.960 1.00 0.00 O ATOM 198 CB ASP A 15 -12.293 -16.468 0.039 1.00 0.00 C ATOM 199 CG ASP A 15 -11.327 -17.220 0.946 1.00 0.00 C ATOM 200 OD1 ASP A 15 -11.293 -16.913 2.126 1.00 0.00 O ATOM 201 OD2 ASP A 15 -10.636 -18.092 0.446 1.00 0.00 O ATOM 0 H ASP A 15 -11.668 -14.250 1.259 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.765 -15.587 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.163 -16.145 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.655 -17.130 -0.748 1.00 0.00 H new ATOM 206 N VAL A 16 -12.346 -14.556 -2.764 1.00 0.00 N ATOM 207 CA VAL A 16 -13.247 -13.953 -3.737 1.00 0.00 C ATOM 208 C VAL A 16 -14.202 -15.031 -4.234 1.00 0.00 C ATOM 209 O VAL A 16 -13.788 -15.962 -4.932 1.00 0.00 O ATOM 210 CB VAL A 16 -12.435 -13.356 -4.917 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.377 -12.720 -5.950 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.474 -12.281 -4.391 1.00 0.00 C ATOM 0 H VAL A 16 -11.533 -15.014 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.813 -13.143 -3.277 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.873 -14.160 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.791 -12.306 -6.771 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.058 -13.478 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.951 -11.924 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.905 -11.864 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.045 -11.488 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.789 -12.727 -3.670 1.00 0.00 H new ATOM 222 N ARG A 17 -15.464 -14.923 -3.827 1.00 0.00 N ATOM 223 CA ARG A 17 -16.481 -15.915 -4.178 1.00 0.00 C ATOM 224 C ARG A 17 -17.514 -15.326 -5.180 1.00 0.00 C ATOM 225 O ARG A 17 -18.203 -14.360 -4.844 1.00 0.00 O ATOM 226 CB ARG A 17 -17.188 -16.404 -2.903 1.00 0.00 C ATOM 227 CG ARG A 17 -16.158 -17.096 -1.984 1.00 0.00 C ATOM 228 CD ARG A 17 -16.795 -17.429 -0.632 1.00 0.00 C ATOM 229 NE ARG A 17 -17.935 -18.350 -0.808 1.00 0.00 N ATOM 230 CZ ARG A 17 -17.789 -19.696 -0.938 1.00 0.00 C ATOM 231 NH1 ARG A 17 -16.598 -20.264 -0.911 1.00 0.00 N ATOM 232 NH2 ARG A 17 -18.847 -20.441 -1.097 1.00 0.00 N ATOM 0 H ARG A 17 -15.810 -14.155 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.991 -16.759 -4.663 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.650 -15.564 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.988 -17.098 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.793 -18.008 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.296 -16.446 -1.838 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -16.052 -17.882 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.132 -16.513 -0.147 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.877 -17.959 -0.833 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.763 -19.691 -0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.513 -21.276 -1.010 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.773 -20.013 -1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.749 -21.451 -1.196 1.00 0.00 H new ATOM 246 N PRO A 18 -17.622 -15.870 -6.423 1.00 0.00 N ATOM 247 CA PRO A 18 -18.570 -15.336 -7.452 1.00 0.00 C ATOM 248 C PRO A 18 -20.013 -15.754 -7.188 1.00 0.00 C ATOM 249 O PRO A 18 -20.291 -16.522 -6.263 1.00 0.00 O ATOM 250 CB PRO A 18 -18.068 -15.946 -8.746 1.00 0.00 C ATOM 251 CG PRO A 18 -17.521 -17.270 -8.339 1.00 0.00 C ATOM 252 CD PRO A 18 -16.865 -17.040 -6.976 1.00 0.00 C ATOM 0 HA PRO A 18 -18.589 -14.246 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.873 -16.054 -9.473 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.302 -15.324 -9.208 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.311 -18.018 -8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.796 -17.636 -9.067 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.953 -17.916 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.801 -16.822 -7.073 1.00 0.00 H new ATOM 260 N GLY A 19 -20.923 -15.233 -8.014 1.00 0.00 N ATOM 261 CA GLY A 19 -22.355 -15.534 -7.891 1.00 0.00 C ATOM 262 C GLY A 19 -23.237 -14.288 -8.112 1.00 0.00 C ATOM 263 O GLY A 19 -24.448 -14.336 -7.875 1.00 0.00 O ATOM 0 H GLY A 19 -20.694 -14.598 -8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.626 -16.301 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.554 -15.946 -6.902 1.00 0.00 H new ATOM 267 N GLY A 20 -22.623 -13.180 -8.572 1.00 0.00 N ATOM 268 CA GLY A 20 -23.357 -11.938 -8.825 1.00 0.00 C ATOM 269 C GLY A 20 -23.815 -11.276 -7.522 1.00 0.00 C ATOM 270 O GLY A 20 -24.813 -10.550 -7.507 1.00 0.00 O ATOM 0 H GLY A 20 -21.625 -13.126 -8.773 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.723 -11.247 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.224 -12.149 -9.451 1.00 0.00 H new ATOM 274 N VAL A 21 -23.078 -11.535 -6.434 1.00 0.00 N ATOM 275 CA VAL A 21 -23.402 -10.969 -5.125 1.00 0.00 C ATOM 276 C VAL A 21 -22.314 -9.984 -4.714 1.00 0.00 C ATOM 277 O VAL A 21 -21.121 -10.309 -4.749 1.00 0.00 O ATOM 278 CB VAL A 21 -23.543 -12.097 -4.066 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.898 -11.507 -2.688 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.648 -13.076 -4.490 1.00 0.00 C ATOM 0 H VAL A 21 -22.253 -12.134 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.354 -10.443 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.590 -12.620 -3.996 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.992 -12.313 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -23.111 -10.823 -2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.842 -10.967 -2.756 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.742 -13.864 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.594 -12.542 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.393 -13.517 -5.454 1.00 0.00 H new ATOM 290 N VAL A 22 -22.738 -8.778 -4.337 1.00 0.00 N ATOM 291 CA VAL A 22 -21.806 -7.733 -3.928 1.00 0.00 C ATOM 292 C VAL A 22 -21.244 -8.064 -2.551 1.00 0.00 C ATOM 293 O VAL A 22 -21.992 -8.183 -1.575 1.00 0.00 O ATOM 294 CB VAL A 22 -22.520 -6.350 -3.914 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.550 -5.242 -3.463 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.030 -6.020 -5.323 1.00 0.00 C ATOM 0 H VAL A 22 -23.720 -8.503 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.984 -7.682 -4.642 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.354 -6.401 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.069 -4.283 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.188 -5.462 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.706 -5.196 -4.151 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.530 -5.051 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.189 -5.986 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.734 -6.788 -5.644 1.00 0.00 H new ATOM 306 N HIS A 23 -19.923 -8.209 -2.488 1.00 0.00 N ATOM 307 CA HIS A 23 -19.238 -8.527 -1.237 1.00 0.00 C ATOM 308 C HIS A 23 -18.287 -7.415 -0.856 1.00 0.00 C ATOM 309 O HIS A 23 -17.561 -6.885 -1.705 1.00 0.00 O ATOM 310 CB HIS A 23 -18.450 -9.842 -1.360 1.00 0.00 C ATOM 311 CG HIS A 23 -19.382 -10.980 -1.686 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.321 -11.455 -0.782 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.523 -11.750 -2.812 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.979 -12.468 -1.377 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.531 -12.688 -2.616 1.00 0.00 N ATOM 0 H HIS A 23 -19.303 -8.111 -3.292 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.998 -8.638 -0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.692 -9.749 -2.138 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.925 -10.048 -0.427 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.483 -11.102 0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.939 -11.644 -3.715 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.772 -13.033 -0.910 1.00 0.00 H new ATOM 323 N SER A 24 -18.277 -7.085 0.431 1.00 0.00 N ATOM 324 CA SER A 24 -17.392 -6.050 0.955 1.00 0.00 C ATOM 325 C SER A 24 -16.418 -6.644 1.960 1.00 0.00 C ATOM 326 O SER A 24 -16.825 -7.330 2.903 1.00 0.00 O ATOM 327 CB SER A 24 -18.210 -4.943 1.620 1.00 0.00 C ATOM 328 OG SER A 24 -19.038 -4.319 0.646 1.00 0.00 O ATOM 0 H SER A 24 -18.874 -7.521 1.133 1.00 0.00 H new ATOM 0 HA SER A 24 -16.827 -5.626 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.821 -5.358 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.546 -4.208 2.074 1.00 0.00 H new ATOM 0 HG SER A 24 -18.503 -3.695 0.113 1.00 0.00 H new ATOM 334 N PHE A 25 -15.132 -6.367 1.754 1.00 0.00 N ATOM 335 CA PHE A 25 -14.078 -6.857 2.642 1.00 0.00 C ATOM 336 C PHE A 25 -13.197 -5.691 3.081 1.00 0.00 C ATOM 337 O PHE A 25 -12.815 -4.852 2.258 1.00 0.00 O ATOM 338 CB PHE A 25 -13.237 -7.932 1.928 1.00 0.00 C ATOM 339 CG PHE A 25 -12.244 -8.546 2.900 1.00 0.00 C ATOM 340 CD1 PHE A 25 -12.671 -9.527 3.803 1.00 0.00 C ATOM 341 CD2 PHE A 25 -10.904 -8.136 2.894 1.00 0.00 C ATOM 342 CE1 PHE A 25 -11.762 -10.098 4.702 1.00 0.00 C ATOM 343 CE2 PHE A 25 -9.994 -8.708 3.792 1.00 0.00 C ATOM 344 CZ PHE A 25 -10.423 -9.688 4.696 1.00 0.00 C ATOM 0 H PHE A 25 -14.793 -5.802 0.975 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.532 -7.309 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.889 -8.706 1.524 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.707 -7.490 1.085 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.703 -9.844 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.573 -7.380 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -12.093 -10.854 5.399 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.961 -8.393 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.721 -10.128 5.389 1.00 0.00 H new ATOM 354 N SER A 26 -12.914 -5.622 4.385 1.00 0.00 N ATOM 355 CA SER A 26 -12.120 -4.528 4.938 1.00 0.00 C ATOM 356 C SER A 26 -11.127 -5.038 5.972 1.00 0.00 C ATOM 357 O SER A 26 -11.242 -6.168 6.455 1.00 0.00 O ATOM 358 CB SER A 26 -13.038 -3.492 5.574 1.00 0.00 C ATOM 359 OG SER A 26 -13.663 -4.055 6.721 1.00 0.00 O ATOM 0 H SER A 26 -13.223 -6.309 5.073 1.00 0.00 H new ATOM 0 HA SER A 26 -11.560 -4.070 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.467 -2.607 5.855 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.793 -3.169 4.857 1.00 0.00 H new ATOM 0 HG SER A 26 -14.253 -3.389 7.132 1.00 0.00 H new ATOM 365 N HIS A 27 -10.140 -4.196 6.290 1.00 0.00 N ATOM 366 CA HIS A 27 -9.101 -4.552 7.253 1.00 0.00 C ATOM 367 C HIS A 27 -8.631 -3.316 8.021 1.00 0.00 C ATOM 368 O HIS A 27 -8.511 -2.221 7.453 1.00 0.00 O ATOM 369 CB HIS A 27 -7.920 -5.221 6.526 1.00 0.00 C ATOM 370 CG HIS A 27 -6.934 -5.774 7.527 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.722 -5.152 7.791 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.969 -6.887 8.330 1.00 0.00 C ATOM 373 CE1 HIS A 27 -5.082 -5.890 8.718 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.799 -6.959 9.081 1.00 0.00 N ATOM 0 H HIS A 27 -10.041 -3.262 5.892 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.516 -5.258 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.286 -6.023 5.885 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.425 -4.497 5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.781 -7.598 8.373 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.109 -5.648 9.119 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.543 -7.674 9.762 1.00 0.00 H new ATOM 382 N ASN A 28 -8.390 -3.503 9.320 1.00 0.00 N ATOM 383 CA ASN A 28 -7.956 -2.422 10.201 1.00 0.00 C ATOM 384 C ASN A 28 -7.095 -2.967 11.338 1.00 0.00 C ATOM 385 O ASN A 28 -7.029 -4.182 11.548 1.00 0.00 O ATOM 386 CB ASN A 28 -9.174 -1.671 10.769 1.00 0.00 C ATOM 387 CG ASN A 28 -10.074 -2.611 11.589 1.00 0.00 C ATOM 388 OD1 ASN A 28 -9.632 -3.662 12.062 1.00 0.00 O ATOM 389 ND2 ASN A 28 -11.325 -2.286 11.785 1.00 0.00 N ATOM 0 H ASN A 28 -8.490 -4.404 9.787 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.356 -1.725 9.617 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.836 -0.847 11.397 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.748 -1.234 9.952 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.933 -2.900 12.327 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.694 -1.418 11.396 1.00 0.00 H new ATOM 396 N VAL A 29 -6.421 -2.061 12.059 1.00 0.00 N ATOM 397 CA VAL A 29 -5.541 -2.454 13.173 1.00 0.00 C ATOM 398 C VAL A 29 -5.949 -1.750 14.467 1.00 0.00 C ATOM 399 O VAL A 29 -6.690 -0.767 14.436 1.00 0.00 O ATOM 400 CB VAL A 29 -4.065 -2.152 12.837 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.634 -2.991 11.631 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.888 -0.654 12.509 1.00 0.00 C ATOM 0 H VAL A 29 -6.466 -1.055 11.894 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.648 -3.529 13.321 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.448 -2.402 13.700 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.592 -2.778 11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.743 -4.050 11.866 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.260 -2.743 10.773 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.843 -0.454 12.274 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.509 -0.393 11.652 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.187 -0.055 13.369 1.00 0.00 H new ATOM 412 N GLY A 30 -5.509 -2.305 15.606 1.00 0.00 N ATOM 413 CA GLY A 30 -5.881 -1.772 16.920 1.00 0.00 C ATOM 414 C GLY A 30 -5.610 -0.255 17.025 1.00 0.00 C ATOM 415 O GLY A 30 -6.558 0.531 17.062 1.00 0.00 O ATOM 0 H GLY A 30 -4.897 -3.120 15.641 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.938 -1.965 17.104 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.321 -2.295 17.695 1.00 0.00 H new ATOM 419 N PRO A 31 -4.333 0.187 17.068 1.00 0.00 N ATOM 420 CA PRO A 31 -4.002 1.654 17.158 1.00 0.00 C ATOM 421 C PRO A 31 -4.620 2.435 15.999 1.00 0.00 C ATOM 422 O PRO A 31 -5.151 3.533 16.183 1.00 0.00 O ATOM 423 CB PRO A 31 -2.471 1.676 17.064 1.00 0.00 C ATOM 424 CG PRO A 31 -2.044 0.335 17.553 1.00 0.00 C ATOM 425 CD PRO A 31 -3.096 -0.636 17.041 1.00 0.00 C ATOM 0 HA PRO A 31 -4.388 2.117 18.066 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.139 1.848 16.040 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.048 2.474 17.675 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.054 0.076 17.176 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.986 0.314 18.641 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.866 -0.991 16.036 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.180 -1.516 17.678 1.00 0.00 H new ATOM 433 N GLY A 32 -4.547 1.842 14.809 1.00 0.00 N ATOM 434 CA GLY A 32 -5.095 2.445 13.593 1.00 0.00 C ATOM 435 C GLY A 32 -6.529 1.984 13.332 1.00 0.00 C ATOM 436 O GLY A 32 -6.916 1.783 12.174 1.00 0.00 O ATOM 0 H GLY A 32 -4.108 0.933 14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.072 3.531 13.683 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.467 2.182 12.741 1.00 0.00 H new ATOM 440 N ASP A 33 -7.310 1.801 14.407 1.00 0.00 N ATOM 441 CA ASP A 33 -8.703 1.339 14.273 1.00 0.00 C ATOM 442 C ASP A 33 -9.512 2.316 13.419 1.00 0.00 C ATOM 443 O ASP A 33 -10.364 1.902 12.626 1.00 0.00 O ATOM 444 CB ASP A 33 -9.355 1.195 15.662 1.00 0.00 C ATOM 445 CG ASP A 33 -10.739 0.518 15.568 1.00 0.00 C ATOM 446 OD1 ASP A 33 -11.327 0.517 14.490 1.00 0.00 O ATOM 447 OD2 ASP A 33 -11.188 0.009 16.582 1.00 0.00 O ATOM 0 H ASP A 33 -7.008 1.963 15.368 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.695 0.366 13.782 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.705 0.609 16.311 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.460 2.179 16.120 1.00 0.00 H new ATOM 452 N LYS A 34 -9.207 3.609 13.561 1.00 0.00 N ATOM 453 CA LYS A 34 -9.866 4.653 12.780 1.00 0.00 C ATOM 454 C LYS A 34 -9.587 4.477 11.286 1.00 0.00 C ATOM 455 O LYS A 34 -10.455 4.747 10.451 1.00 0.00 O ATOM 456 CB LYS A 34 -9.395 6.042 13.240 1.00 0.00 C ATOM 457 CG LYS A 34 -9.972 6.364 14.623 1.00 0.00 C ATOM 458 CD LYS A 34 -11.437 6.810 14.496 1.00 0.00 C ATOM 459 CE LYS A 34 -11.509 8.268 14.019 1.00 0.00 C ATOM 460 NZ LYS A 34 -11.059 9.177 15.113 1.00 0.00 N ATOM 0 H LYS A 34 -8.504 3.956 14.214 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.940 4.568 12.943 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.306 6.071 13.276 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.711 6.798 12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.906 5.486 15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.384 7.151 15.096 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.962 6.163 13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.940 6.709 15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.881 8.404 13.138 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.529 8.515 13.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.457 10.126 14.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.386 8.807 16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.021 9.233 15.113 1.00 0.00 H new ATOM 474 N TYR A 35 -8.354 4.055 10.957 1.00 0.00 N ATOM 475 CA TYR A 35 -7.946 3.884 9.558 1.00 0.00 C ATOM 476 C TYR A 35 -8.290 2.486 9.060 1.00 0.00 C ATOM 477 O TYR A 35 -7.805 1.487 9.603 1.00 0.00 O ATOM 478 CB TYR A 35 -6.439 4.125 9.421 1.00 0.00 C ATOM 479 CG TYR A 35 -6.125 5.563 9.758 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.777 5.916 11.067 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.185 6.540 8.763 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.486 7.251 11.377 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.896 7.873 9.071 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.546 8.229 10.379 1.00 0.00 C ATOM 485 OH TYR A 35 -5.258 9.545 10.683 1.00 0.00 O ATOM 0 H TYR A 35 -7.629 3.828 11.638 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.487 4.611 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.891 3.457 10.086 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.115 3.900 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.733 5.160 11.837 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.455 6.266 7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.215 7.525 12.386 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.943 8.628 8.300 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.552 9.577 11.361 1.00 0.00 H new ATOM 495 N THR A 36 -9.149 2.425 8.036 1.00 0.00 N ATOM 496 CA THR A 36 -9.589 1.147 7.469 1.00 0.00 C ATOM 497 C THR A 36 -9.593 1.191 5.932 1.00 0.00 C ATOM 498 O THR A 36 -10.155 2.117 5.335 1.00 0.00 O ATOM 499 CB THR A 36 -11.004 0.810 7.997 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.984 0.791 9.417 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.461 -0.565 7.482 1.00 0.00 C ATOM 0 H THR A 36 -9.552 3.246 7.584 1.00 0.00 H new ATOM 0 HA THR A 36 -8.888 0.371 7.778 1.00 0.00 H new ATOM 0 HB THR A 36 -11.699 1.570 7.640 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.880 0.579 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.458 -0.784 7.864 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.484 -0.556 6.392 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.765 -1.331 7.824 1.00 0.00 H new ATOM 509 N CYS A 37 -9.051 0.134 5.303 1.00 0.00 N ATOM 510 CA CYS A 37 -9.094 0.007 3.840 1.00 0.00 C ATOM 511 C CYS A 37 -10.228 -0.934 3.448 1.00 0.00 C ATOM 512 O CYS A 37 -10.379 -2.011 4.033 1.00 0.00 O ATOM 513 CB CYS A 37 -7.754 -0.511 3.272 1.00 0.00 C ATOM 514 SG CYS A 37 -6.442 0.704 3.573 1.00 0.00 S ATOM 0 H CYS A 37 -8.583 -0.636 5.781 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.269 0.996 3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.495 -1.461 3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.851 -0.697 2.202 1.00 0.00 H new ATOM 519 N MET A 38 -11.053 -0.496 2.491 1.00 0.00 N ATOM 520 CA MET A 38 -12.215 -1.272 2.058 1.00 0.00 C ATOM 521 C MET A 38 -12.115 -1.664 0.604 1.00 0.00 C ATOM 522 O MET A 38 -11.597 -0.910 -0.226 1.00 0.00 O ATOM 523 CB MET A 38 -13.498 -0.474 2.268 1.00 0.00 C ATOM 524 CG MET A 38 -13.731 -0.262 3.758 1.00 0.00 C ATOM 525 SD MET A 38 -15.264 0.669 4.004 1.00 0.00 S ATOM 526 CE MET A 38 -15.347 0.502 5.805 1.00 0.00 C ATOM 0 H MET A 38 -10.936 0.392 2.003 1.00 0.00 H new ATOM 0 HA MET A 38 -12.237 -2.178 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.427 0.488 1.761 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.344 -1.004 1.829 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.791 -1.224 4.268 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.891 0.278 4.195 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.184 1.087 6.186 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.487 -0.547 6.067 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.419 0.865 6.247 1.00 0.00 H new ATOM 536 N PHE A 39 -12.650 -2.844 0.299 1.00 0.00 N ATOM 537 CA PHE A 39 -12.674 -3.355 -1.063 1.00 0.00 C ATOM 538 C PHE A 39 -14.042 -3.990 -1.365 1.00 0.00 C ATOM 539 O PHE A 39 -14.378 -5.049 -0.829 1.00 0.00 O ATOM 540 CB PHE A 39 -11.535 -4.384 -1.249 1.00 0.00 C ATOM 541 CG PHE A 39 -11.480 -4.870 -2.691 1.00 0.00 C ATOM 542 CD1 PHE A 39 -11.096 -3.991 -3.711 1.00 0.00 C ATOM 543 CD2 PHE A 39 -11.808 -6.199 -3.001 1.00 0.00 C ATOM 544 CE1 PHE A 39 -11.040 -4.439 -5.038 1.00 0.00 C ATOM 545 CE2 PHE A 39 -11.750 -6.643 -4.327 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.367 -5.764 -5.345 1.00 0.00 C ATOM 0 H PHE A 39 -13.075 -3.467 0.986 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.520 -2.534 -1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.582 -3.932 -0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.690 -5.231 -0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.843 -2.968 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.105 -6.879 -2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -10.744 -3.760 -5.824 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.001 -7.666 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.324 -6.108 -6.368 1.00 0.00 H new ATOM 556 N THR A 40 -14.817 -3.328 -2.234 1.00 0.00 N ATOM 557 CA THR A 40 -16.150 -3.818 -2.624 1.00 0.00 C ATOM 558 C THR A 40 -16.105 -4.317 -4.072 1.00 0.00 C ATOM 559 O THR A 40 -15.566 -3.635 -4.947 1.00 0.00 O ATOM 560 CB THR A 40 -17.194 -2.686 -2.469 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.200 -2.242 -1.118 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.599 -3.199 -2.829 1.00 0.00 C ATOM 0 H THR A 40 -14.546 -2.452 -2.681 1.00 0.00 H new ATOM 0 HA THR A 40 -16.441 -4.644 -1.975 1.00 0.00 H new ATOM 0 HB THR A 40 -16.930 -1.868 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.858 -1.524 -1.013 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.322 -2.391 -2.715 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.605 -3.548 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.867 -4.022 -2.166 1.00 0.00 H new ATOM 570 N TYR A 41 -16.615 -5.540 -4.303 1.00 0.00 N ATOM 571 CA TYR A 41 -16.552 -6.148 -5.641 1.00 0.00 C ATOM 572 C TYR A 41 -17.726 -7.099 -5.927 1.00 0.00 C ATOM 573 O TYR A 41 -18.338 -7.653 -5.012 1.00 0.00 O ATOM 574 CB TYR A 41 -15.213 -6.907 -5.800 1.00 0.00 C ATOM 575 CG TYR A 41 -15.116 -8.022 -4.763 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.588 -9.305 -5.064 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.564 -7.759 -3.502 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.509 -10.325 -4.106 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.482 -8.777 -2.544 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.954 -10.060 -2.844 1.00 0.00 C ATOM 581 OH TYR A 41 -14.875 -11.063 -1.891 1.00 0.00 O ATOM 0 H TYR A 41 -17.067 -6.117 -3.594 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.621 -5.336 -6.365 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.140 -7.326 -6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.378 -6.216 -5.682 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.013 -9.509 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.201 -6.769 -3.269 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.875 -11.314 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.055 -8.572 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.463 -10.708 -1.076 1.00 0.00 H new ATOM 591 N ALA A 42 -17.951 -7.341 -7.222 1.00 0.00 N ATOM 592 CA ALA A 42 -18.957 -8.292 -7.691 1.00 0.00 C ATOM 593 C ALA A 42 -18.319 -9.184 -8.751 1.00 0.00 C ATOM 594 O ALA A 42 -17.596 -8.681 -9.630 1.00 0.00 O ATOM 595 CB ALA A 42 -20.159 -7.550 -8.282 1.00 0.00 C ATOM 0 H ALA A 42 -17.438 -6.881 -7.974 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.310 -8.897 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.899 -8.272 -8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.603 -6.911 -7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.831 -6.937 -9.122 1.00 0.00 H new ATOM 601 N SER A 43 -18.515 -10.514 -8.631 1.00 0.00 N ATOM 602 CA SER A 43 -17.866 -11.456 -9.548 1.00 0.00 C ATOM 603 C SER A 43 -18.813 -12.532 -10.060 1.00 0.00 C ATOM 604 O SER A 43 -19.803 -12.876 -9.411 1.00 0.00 O ATOM 605 CB SER A 43 -16.674 -12.114 -8.862 1.00 0.00 C ATOM 606 OG SER A 43 -15.756 -11.111 -8.447 1.00 0.00 O ATOM 0 H SER A 43 -19.106 -10.947 -7.921 1.00 0.00 H new ATOM 0 HA SER A 43 -17.536 -10.877 -10.411 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.010 -12.694 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.186 -12.810 -9.545 1.00 0.00 H new ATOM 0 HG SER A 43 -14.877 -11.288 -8.843 1.00 0.00 H new ATOM 612 N GLN A 44 -18.455 -13.087 -11.217 1.00 0.00 N ATOM 613 CA GLN A 44 -19.203 -14.170 -11.842 1.00 0.00 C ATOM 614 C GLN A 44 -18.247 -15.320 -12.198 1.00 0.00 C ATOM 615 O GLN A 44 -17.206 -15.103 -12.824 1.00 0.00 O ATOM 616 CB GLN A 44 -19.937 -13.644 -13.102 1.00 0.00 C ATOM 617 CG GLN A 44 -20.673 -14.784 -13.821 1.00 0.00 C ATOM 618 CD GLN A 44 -21.644 -14.212 -14.847 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.774 -13.864 -14.504 1.00 0.00 O ATOM 620 NE2 GLN A 44 -21.266 -14.080 -16.089 1.00 0.00 N ATOM 0 H GLN A 44 -17.634 -12.795 -11.747 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.952 -14.548 -11.146 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.648 -12.869 -12.817 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.219 -13.184 -13.781 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -19.954 -15.438 -14.314 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.214 -15.393 -13.096 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -20.329 -14.369 -16.370 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -21.907 -13.688 -16.778 1.00 0.00 H new ATOM 629 N GLY A 45 -18.613 -16.535 -11.781 1.00 0.00 N ATOM 630 CA GLY A 45 -17.805 -17.721 -12.031 1.00 0.00 C ATOM 631 C GLY A 45 -18.345 -18.901 -11.238 1.00 0.00 C ATOM 632 O GLY A 45 -19.316 -18.758 -10.487 1.00 0.00 O ATOM 0 H GLY A 45 -19.473 -16.719 -11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.810 -17.956 -13.095 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.769 -17.530 -11.752 1.00 0.00 H new ATOM 636 N GLY A 46 -17.720 -20.068 -11.415 1.00 0.00 N ATOM 637 CA GLY A 46 -18.151 -21.285 -10.719 1.00 0.00 C ATOM 638 C GLY A 46 -17.191 -21.702 -9.588 1.00 0.00 C ATOM 639 O GLY A 46 -17.351 -22.785 -9.012 1.00 0.00 O ATOM 0 H GLY A 46 -16.917 -20.197 -12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.146 -21.127 -10.304 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.232 -22.100 -11.439 1.00 0.00 H new ATOM 643 N THR A 47 -16.190 -20.853 -9.283 1.00 0.00 N ATOM 644 CA THR A 47 -15.215 -21.167 -8.230 1.00 0.00 C ATOM 645 C THR A 47 -14.666 -19.902 -7.567 1.00 0.00 C ATOM 646 O THR A 47 -14.631 -18.833 -8.181 1.00 0.00 O ATOM 647 CB THR A 47 -14.064 -22.015 -8.804 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.154 -22.344 -7.763 1.00 0.00 O ATOM 649 CG2 THR A 47 -13.328 -21.246 -9.915 1.00 0.00 C ATOM 0 H THR A 47 -16.039 -19.957 -9.746 1.00 0.00 H new ATOM 0 HA THR A 47 -15.733 -21.741 -7.462 1.00 0.00 H new ATOM 0 HB THR A 47 -14.478 -22.928 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.422 -22.885 -8.127 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.518 -21.861 -10.308 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.026 -21.009 -10.718 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.917 -20.322 -9.507 1.00 0.00 H new ATOM 657 N ASN A 48 -14.226 -20.046 -6.309 1.00 0.00 N ATOM 658 CA ASN A 48 -13.661 -18.929 -5.560 1.00 0.00 C ATOM 659 C ASN A 48 -12.182 -18.738 -5.898 1.00 0.00 C ATOM 660 O ASN A 48 -11.615 -19.501 -6.686 1.00 0.00 O ATOM 661 CB ASN A 48 -13.838 -19.155 -4.049 1.00 0.00 C ATOM 662 CG ASN A 48 -13.072 -20.405 -3.572 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.183 -20.912 -4.267 1.00 0.00 O ATOM 664 ND2 ASN A 48 -13.371 -20.934 -2.417 1.00 0.00 N ATOM 0 H ASN A 48 -14.253 -20.926 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.196 -18.023 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.483 -18.280 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.897 -19.266 -3.818 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.872 -21.762 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.103 -20.519 -1.840 1.00 0.00 H new ATOM 671 N GLU A 49 -11.567 -17.713 -5.295 1.00 0.00 N ATOM 672 CA GLU A 49 -10.158 -17.410 -5.527 1.00 0.00 C ATOM 673 C GLU A 49 -9.530 -16.837 -4.262 1.00 0.00 C ATOM 674 O GLU A 49 -10.207 -16.194 -3.461 1.00 0.00 O ATOM 675 CB GLU A 49 -10.020 -16.415 -6.690 1.00 0.00 C ATOM 676 CG GLU A 49 -8.533 -16.172 -7.031 1.00 0.00 C ATOM 677 CD GLU A 49 -7.843 -17.469 -7.507 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.536 -18.365 -7.978 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.632 -17.543 -7.390 1.00 0.00 O ATOM 0 H GLU A 49 -12.029 -17.080 -4.642 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.635 -18.330 -5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.541 -16.799 -7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.496 -15.471 -6.425 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.456 -15.411 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.016 -15.784 -6.153 1.00 0.00 H new ATOM 686 N GLN A 50 -8.231 -17.067 -4.101 1.00 0.00 N ATOM 687 CA GLN A 50 -7.495 -16.561 -2.944 1.00 0.00 C ATOM 688 C GLN A 50 -6.654 -15.358 -3.334 1.00 0.00 C ATOM 689 O GLN A 50 -5.889 -15.412 -4.297 1.00 0.00 O ATOM 690 CB GLN A 50 -6.608 -17.660 -2.356 1.00 0.00 C ATOM 691 CG GLN A 50 -7.493 -18.770 -1.786 1.00 0.00 C ATOM 692 CD GLN A 50 -6.629 -19.870 -1.180 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.635 -19.584 -0.512 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.952 -21.121 -1.372 1.00 0.00 N ATOM 0 H GLN A 50 -7.663 -17.602 -4.758 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.214 -16.250 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.949 -18.063 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.970 -17.249 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.159 -18.361 -1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.123 -19.184 -2.573 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.776 -21.356 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.380 -21.863 -0.968 1.00 0.00 H new ATOM 703 N TRP A 51 -6.826 -14.263 -2.590 1.00 0.00 N ATOM 704 CA TRP A 51 -6.105 -13.016 -2.854 1.00 0.00 C ATOM 705 C TRP A 51 -5.321 -12.567 -1.631 1.00 0.00 C ATOM 706 O TRP A 51 -5.765 -12.750 -0.493 1.00 0.00 O ATOM 707 CB TRP A 51 -7.086 -11.922 -3.281 1.00 0.00 C ATOM 708 CG TRP A 51 -7.631 -12.230 -4.645 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.518 -13.216 -4.928 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.351 -11.554 -5.908 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.788 -13.193 -6.290 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.091 -12.184 -6.935 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.527 -10.466 -6.257 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.021 -11.750 -8.266 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.453 -10.026 -7.594 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.198 -10.669 -8.594 1.00 0.00 C ATOM 0 H TRP A 51 -7.463 -14.215 -1.795 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.397 -13.198 -3.663 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.902 -11.851 -2.561 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.584 -10.954 -3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.944 -13.905 -4.213 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.422 -13.840 -6.759 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.948 -9.966 -5.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.598 -12.247 -9.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.820 -9.190 -7.850 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.136 -10.329 -9.617 1.00 0.00 H new ATOM 727 N GLN A 52 -4.148 -11.979 -1.878 1.00 0.00 N ATOM 728 CA GLN A 52 -3.281 -11.495 -0.801 1.00 0.00 C ATOM 729 C GLN A 52 -3.365 -9.982 -0.685 1.00 0.00 C ATOM 730 O GLN A 52 -3.576 -9.283 -1.681 1.00 0.00 O ATOM 731 CB GLN A 52 -1.816 -11.911 -1.048 1.00 0.00 C ATOM 732 CG GLN A 52 -1.700 -13.447 -1.147 1.00 0.00 C ATOM 733 CD GLN A 52 -2.131 -14.108 0.167 1.00 0.00 C ATOM 734 OE1 GLN A 52 -3.123 -14.957 0.167 1.00 0.00 O flip ATOM 735 NE2 GLN A 52 -1.550 -13.836 1.219 1.00 0.00 N flip ATOM 0 H GLN A 52 -3.776 -11.826 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.625 -11.945 0.130 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.452 -11.453 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.186 -11.544 -0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.322 -13.812 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.672 -13.725 -1.380 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.775 -13.173 1.217 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.844 -14.274 2.092 1.00 0.00 H new ATOM 744 N MET A 53 -3.195 -9.491 0.536 1.00 0.00 N ATOM 745 CA MET A 53 -3.241 -8.062 0.815 1.00 0.00 C ATOM 746 C MET A 53 -2.043 -7.656 1.642 1.00 0.00 C ATOM 747 O MET A 53 -1.611 -8.404 2.519 1.00 0.00 O ATOM 748 CB MET A 53 -4.517 -7.705 1.583 1.00 0.00 C ATOM 749 CG MET A 53 -5.746 -8.016 0.734 1.00 0.00 C ATOM 750 SD MET A 53 -7.243 -7.570 1.660 1.00 0.00 S ATOM 751 CE MET A 53 -7.095 -5.763 1.530 1.00 0.00 C ATOM 0 H MET A 53 -3.022 -10.070 1.358 1.00 0.00 H new ATOM 0 HA MET A 53 -3.231 -7.530 -0.136 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.558 -8.267 2.516 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.507 -6.648 1.848 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.705 -7.461 -0.203 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.766 -9.075 0.476 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.188 -5.318 2.521 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.124 -5.507 1.107 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.884 -5.379 0.884 1.00 0.00 H new ATOM 761 N SER A 54 -1.533 -6.454 1.384 1.00 0.00 N ATOM 762 CA SER A 54 -0.403 -5.920 2.138 1.00 0.00 C ATOM 763 C SER A 54 -0.585 -4.435 2.388 1.00 0.00 C ATOM 764 O SER A 54 -0.861 -3.672 1.458 1.00 0.00 O ATOM 765 CB SER A 54 0.905 -6.167 1.392 1.00 0.00 C ATOM 766 OG SER A 54 1.979 -5.588 2.120 1.00 0.00 O ATOM 0 H SER A 54 -1.885 -5.831 0.657 1.00 0.00 H new ATOM 0 HA SER A 54 -0.361 -6.435 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.070 -7.237 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.854 -5.735 0.393 1.00 0.00 H new ATOM 0 HG SER A 54 2.820 -5.747 1.643 1.00 0.00 H new ATOM 772 N LEU A 55 -0.414 -4.027 3.647 1.00 0.00 N ATOM 773 CA LEU A 55 -0.546 -2.620 4.022 1.00 0.00 C ATOM 774 C LEU A 55 0.572 -2.208 4.969 1.00 0.00 C ATOM 775 O LEU A 55 1.029 -3.010 5.786 1.00 0.00 O ATOM 776 CB LEU A 55 -1.936 -2.358 4.656 1.00 0.00 C ATOM 777 CG LEU A 55 -2.101 -3.144 6.000 1.00 0.00 C ATOM 778 CD1 LEU A 55 -1.645 -2.266 7.184 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.583 -3.527 6.199 1.00 0.00 C ATOM 0 H LEU A 55 -0.184 -4.650 4.421 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.462 -2.012 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.061 -1.291 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.719 -2.656 3.959 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.489 -4.045 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.763 -2.821 8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.597 -1.995 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.252 -1.361 7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.695 -4.074 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.191 -2.623 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.911 -4.155 5.371 1.00 0.00 H new ATOM 791 N GLY A 56 1.008 -0.953 4.849 1.00 0.00 N ATOM 792 CA GLY A 56 2.077 -0.425 5.689 1.00 0.00 C ATOM 793 C GLY A 56 1.794 1.013 6.070 1.00 0.00 C ATOM 794 O GLY A 56 1.080 1.726 5.353 1.00 0.00 O ATOM 0 H GLY A 56 0.634 -0.284 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.174 -1.033 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.027 -0.486 5.159 1.00 0.00 H new ATOM 798 N THR A 57 2.327 1.429 7.218 1.00 0.00 N ATOM 799 CA THR A 57 2.102 2.785 7.724 1.00 0.00 C ATOM 800 C THR A 57 3.407 3.434 8.166 1.00 0.00 C ATOM 801 O THR A 57 4.385 2.749 8.474 1.00 0.00 O ATOM 802 CB THR A 57 1.115 2.759 8.906 1.00 0.00 C ATOM 803 OG1 THR A 57 1.673 2.001 9.969 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.216 2.128 8.471 1.00 0.00 C ATOM 0 H THR A 57 2.917 0.849 7.815 1.00 0.00 H new ATOM 0 HA THR A 57 1.680 3.375 6.910 1.00 0.00 H new ATOM 0 HB THR A 57 0.931 3.781 9.239 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.047 1.985 10.723 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.906 2.115 9.315 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.648 2.713 7.659 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.041 1.108 8.130 1.00 0.00 H new ATOM 812 N SER A 58 3.393 4.765 8.229 1.00 0.00 N ATOM 813 CA SER A 58 4.551 5.541 8.676 1.00 0.00 C ATOM 814 C SER A 58 4.825 5.281 10.152 1.00 0.00 C ATOM 815 O SER A 58 3.934 4.838 10.882 1.00 0.00 O ATOM 816 CB SER A 58 4.311 7.034 8.447 1.00 0.00 C ATOM 817 OG SER A 58 5.411 7.771 8.963 1.00 0.00 O ATOM 0 H SER A 58 2.585 5.333 7.974 1.00 0.00 H new ATOM 0 HA SER A 58 5.419 5.230 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.191 7.236 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.388 7.345 8.937 1.00 0.00 H new ATOM 0 HG SER A 58 5.341 8.706 8.678 1.00 0.00 H new ATOM 823 N GLU A 59 6.069 5.531 10.582 1.00 0.00 N ATOM 824 CA GLU A 59 6.454 5.312 11.984 1.00 0.00 C ATOM 825 C GLU A 59 5.549 6.115 12.940 1.00 0.00 C ATOM 826 O GLU A 59 5.270 5.673 14.058 1.00 0.00 O ATOM 827 CB GLU A 59 7.934 5.685 12.198 1.00 0.00 C ATOM 828 CG GLU A 59 8.162 7.185 11.880 1.00 0.00 C ATOM 829 CD GLU A 59 9.652 7.582 12.025 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.463 6.732 12.388 1.00 0.00 O ATOM 831 OE2 GLU A 59 9.955 8.735 11.770 1.00 0.00 O ATOM 0 H GLU A 59 6.820 5.881 9.987 1.00 0.00 H new ATOM 0 HA GLU A 59 6.325 4.254 12.210 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.223 5.477 13.228 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.567 5.070 11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.826 7.397 10.865 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.556 7.795 12.550 1.00 0.00 H new ATOM 838 N ASP A 60 5.054 7.265 12.460 1.00 0.00 N ATOM 839 CA ASP A 60 4.130 8.102 13.237 1.00 0.00 C ATOM 840 C ASP A 60 2.653 7.788 12.894 1.00 0.00 C ATOM 841 O ASP A 60 1.738 8.420 13.426 1.00 0.00 O ATOM 842 CB ASP A 60 4.421 9.592 12.981 1.00 0.00 C ATOM 843 CG ASP A 60 5.786 10.007 13.573 1.00 0.00 C ATOM 844 OD1 ASP A 60 6.286 9.311 14.452 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.309 11.019 13.134 1.00 0.00 O ATOM 0 H ASP A 60 5.279 7.636 11.537 1.00 0.00 H new ATOM 0 HA ASP A 60 4.286 7.877 14.292 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.413 9.787 11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.631 10.200 13.422 1.00 0.00 H new ATOM 850 N HIS A 61 2.435 6.808 11.991 1.00 0.00 N ATOM 851 CA HIS A 61 1.087 6.408 11.565 1.00 0.00 C ATOM 852 C HIS A 61 0.342 7.565 10.886 1.00 0.00 C ATOM 853 O HIS A 61 -0.893 7.599 10.867 1.00 0.00 O ATOM 854 CB HIS A 61 0.286 5.881 12.765 1.00 0.00 C ATOM 855 CG HIS A 61 0.944 4.630 13.288 1.00 0.00 C ATOM 856 ND1 HIS A 61 0.408 3.369 13.079 1.00 0.00 N ATOM 857 CD2 HIS A 61 2.110 4.432 13.982 1.00 0.00 C ATOM 858 CE1 HIS A 61 1.245 2.475 13.640 1.00 0.00 C ATOM 859 NE2 HIS A 61 2.298 3.072 14.204 1.00 0.00 N ATOM 0 H HIS A 61 3.184 6.280 11.544 1.00 0.00 H new ATOM 0 HA HIS A 61 1.192 5.610 10.830 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.241 6.638 13.548 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.741 5.669 12.467 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.781 5.214 14.307 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.084 1.407 13.634 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.074 2.626 14.693 1.00 0.00 H new ATOM 867 N GLN A 62 1.109 8.483 10.287 1.00 0.00 N ATOM 868 CA GLN A 62 0.544 9.618 9.554 1.00 0.00 C ATOM 869 C GLN A 62 0.162 9.233 8.107 1.00 0.00 C ATOM 870 O GLN A 62 -0.742 9.832 7.520 1.00 0.00 O ATOM 871 CB GLN A 62 1.518 10.814 9.570 1.00 0.00 C ATOM 872 CG GLN A 62 2.843 10.421 8.924 1.00 0.00 C ATOM 873 CD GLN A 62 3.797 11.607 8.912 1.00 0.00 C ATOM 874 OE1 GLN A 62 3.398 12.724 8.583 1.00 0.00 O ATOM 875 NE2 GLN A 62 5.044 11.430 9.253 1.00 0.00 N ATOM 0 H GLN A 62 2.129 8.460 10.297 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.374 9.915 10.061 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.080 11.657 9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.688 11.141 10.596 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.290 9.591 9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.670 10.074 7.905 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.372 10.503 9.525 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.691 12.218 9.247 1.00 0.00 H new ATOM 884 N HIS A 63 0.837 8.201 7.560 1.00 0.00 N ATOM 885 CA HIS A 63 0.544 7.706 6.203 1.00 0.00 C ATOM 886 C HIS A 63 0.025 6.268 6.245 1.00 0.00 C ATOM 887 O HIS A 63 0.570 5.424 6.962 1.00 0.00 O ATOM 888 CB HIS A 63 1.796 7.759 5.311 1.00 0.00 C ATOM 889 CG HIS A 63 2.140 9.183 4.960 1.00 0.00 C ATOM 890 ND1 HIS A 63 3.125 10.028 5.405 1.00 0.00 N flip ATOM 891 CD2 HIS A 63 1.442 9.892 3.997 1.00 0.00 C flip ATOM 892 CE1 HIS A 63 3.044 11.240 4.730 1.00 0.00 C flip ATOM 893 NE2 HIS A 63 2.014 11.105 3.893 1.00 0.00 N flip ATOM 0 H HIS A 63 1.585 7.697 8.036 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.224 8.356 5.783 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.636 7.293 5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.624 7.186 4.400 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.593 9.536 3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.678 12.105 4.856 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.699 11.833 3.252 1.00 0.00 H new ATOM 901 N PHE A 64 -1.021 5.995 5.450 1.00 0.00 N ATOM 902 CA PHE A 64 -1.605 4.649 5.370 1.00 0.00 C ATOM 903 C PHE A 64 -1.659 4.170 3.925 1.00 0.00 C ATOM 904 O PHE A 64 -2.213 4.853 3.060 1.00 0.00 O ATOM 905 CB PHE A 64 -3.017 4.640 5.976 1.00 0.00 C ATOM 906 CG PHE A 64 -2.941 4.981 7.447 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.055 6.312 7.865 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.752 3.966 8.389 1.00 0.00 C ATOM 909 CE1 PHE A 64 -2.979 6.624 9.227 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.677 4.279 9.750 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.789 5.607 10.169 1.00 0.00 C ATOM 0 H PHE A 64 -1.478 6.687 4.856 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.970 3.970 5.940 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.650 5.360 5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.474 3.660 5.843 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.201 7.097 7.138 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.664 2.939 8.066 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.067 7.650 9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.532 3.494 10.477 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.729 5.849 11.220 1.00 0.00 H new ATOM 921 N THR A 65 -1.089 2.981 3.670 1.00 0.00 N ATOM 922 CA THR A 65 -1.085 2.405 2.318 1.00 0.00 C ATOM 923 C THR A 65 -1.669 0.992 2.321 1.00 0.00 C ATOM 924 O THR A 65 -1.348 0.182 3.197 1.00 0.00 O ATOM 925 CB THR A 65 0.349 2.360 1.763 1.00 0.00 C ATOM 926 OG1 THR A 65 1.162 1.563 2.617 1.00 0.00 O ATOM 927 CG2 THR A 65 0.929 3.777 1.680 1.00 0.00 C ATOM 0 H THR A 65 -0.629 2.406 4.376 1.00 0.00 H new ATOM 0 HA THR A 65 -1.704 3.040 1.684 1.00 0.00 H new ATOM 0 HB THR A 65 0.330 1.926 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.078 1.882 3.540 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.944 3.732 1.286 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.310 4.385 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.945 4.222 2.675 1.00 0.00 H new ATOM 935 N CYS A 66 -2.490 0.692 1.302 1.00 0.00 N ATOM 936 CA CYS A 66 -3.085 -0.644 1.150 1.00 0.00 C ATOM 937 C CYS A 66 -2.930 -1.154 -0.286 1.00 0.00 C ATOM 938 O CYS A 66 -3.224 -0.433 -1.241 1.00 0.00 O ATOM 939 CB CYS A 66 -4.569 -0.627 1.552 1.00 0.00 C ATOM 940 SG CYS A 66 -4.713 -0.335 3.343 1.00 0.00 S ATOM 0 H CYS A 66 -2.756 1.355 0.574 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.552 -1.325 1.814 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.096 0.153 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.038 -1.575 1.289 1.00 0.00 H new ATOM 945 N THR A 67 -2.457 -2.400 -0.426 1.00 0.00 N ATOM 946 CA THR A 67 -2.247 -3.010 -1.749 1.00 0.00 C ATOM 947 C THR A 67 -2.941 -4.381 -1.831 1.00 0.00 C ATOM 948 O THR A 67 -2.809 -5.207 -0.924 1.00 0.00 O ATOM 949 CB THR A 67 -0.735 -3.156 -2.015 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.116 -1.882 -1.900 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.484 -3.707 -3.430 1.00 0.00 C ATOM 0 H THR A 67 -2.213 -3.005 0.358 1.00 0.00 H new ATOM 0 HA THR A 67 -2.684 -2.364 -2.510 1.00 0.00 H new ATOM 0 HB THR A 67 -0.317 -3.850 -1.286 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.846 -1.969 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.589 -3.803 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.955 -4.685 -3.529 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.907 -3.024 -4.167 1.00 0.00 H new ATOM 959 N ILE A 68 -3.691 -4.599 -2.922 1.00 0.00 N ATOM 960 CA ILE A 68 -4.424 -5.863 -3.121 1.00 0.00 C ATOM 961 C ILE A 68 -4.025 -6.519 -4.464 1.00 0.00 C ATOM 962 O ILE A 68 -4.181 -5.909 -5.520 1.00 0.00 O ATOM 963 CB ILE A 68 -5.958 -5.589 -3.106 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.354 -4.924 -1.767 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.728 -6.923 -3.254 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.779 -4.354 -1.861 1.00 0.00 C ATOM 0 H ILE A 68 -3.807 -3.923 -3.677 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.167 -6.545 -2.311 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.209 -4.927 -3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.298 -5.654 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.650 -4.127 -1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.800 -6.727 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.455 -7.398 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.472 -7.585 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.048 -3.888 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.821 -3.610 -2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.479 -5.160 -2.081 1.00 0.00 H new ATOM 978 N TRP A 69 -3.583 -7.789 -4.411 1.00 0.00 N ATOM 979 CA TRP A 69 -3.246 -8.547 -5.637 1.00 0.00 C ATOM 980 C TRP A 69 -3.398 -10.062 -5.400 1.00 0.00 C ATOM 981 O TRP A 69 -3.465 -10.507 -4.249 1.00 0.00 O ATOM 982 CB TRP A 69 -1.810 -8.199 -6.139 1.00 0.00 C ATOM 983 CG TRP A 69 -0.761 -8.760 -5.218 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.077 -9.909 -5.431 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.291 -8.235 -3.956 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.791 -10.113 -4.379 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.696 -9.108 -3.441 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.620 -7.095 -3.216 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.332 -8.858 -2.234 1.00 0.00 C ATOM 990 CZ3 TRP A 69 0.020 -6.836 -1.993 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.997 -7.722 -1.506 1.00 0.00 C ATOM 0 H TRP A 69 -3.451 -8.310 -3.544 1.00 0.00 H new ATOM 0 HA TRP A 69 -3.948 -8.254 -6.418 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.667 -8.597 -7.143 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.698 -7.117 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.192 -10.560 -6.285 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.425 -10.909 -4.304 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.369 -6.411 -3.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.082 -9.541 -1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.239 -5.954 -1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.488 -7.520 -0.565 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.435 -10.841 -6.494 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.561 -12.299 -6.383 1.00 0.00 C ATOM 1004 C ARG A 70 -2.151 -12.962 -6.165 1.00 0.00 C ATOM 1005 O ARG A 70 -1.149 -12.436 -6.655 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.280 -12.873 -7.639 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.345 -12.866 -8.850 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.129 -13.163 -10.125 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.977 -12.007 -10.478 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.495 -10.909 -11.131 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -3.234 -10.838 -11.514 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -5.290 -9.903 -11.372 1.00 0.00 N ATOM 0 H ARG A 70 -3.380 -10.490 -7.450 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.171 -12.537 -5.511 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.615 -13.891 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.169 -12.281 -7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.855 -11.896 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.560 -13.610 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.441 -13.383 -10.942 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.748 -14.049 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.964 -12.030 -10.223 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.599 -11.613 -11.323 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.895 -10.008 -12.001 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.265 -9.940 -11.073 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.937 -9.079 -11.859 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.060 -14.090 -5.433 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.742 -14.781 -5.158 1.00 0.00 C ATOM 1028 C PRO A 71 -0.208 -15.605 -6.347 1.00 0.00 C ATOM 1029 O PRO A 71 1.001 -15.651 -6.588 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.094 -15.715 -4.013 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.513 -16.087 -4.282 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.180 -14.825 -4.792 1.00 0.00 C ATOM 0 HA PRO A 71 0.047 -14.058 -4.950 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.446 -16.592 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.986 -15.222 -3.047 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.575 -16.887 -5.019 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.001 -16.449 -3.377 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.975 -15.048 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.629 -14.250 -3.982 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.116 -16.302 -7.032 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.757 -17.196 -8.144 1.00 0.00 C ATOM 1042 C GLN A 72 -0.164 -16.433 -9.320 1.00 0.00 C ATOM 1043 O GLN A 72 0.723 -16.933 -10.019 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.992 -17.975 -8.603 1.00 0.00 C ATOM 1045 CG GLN A 72 -2.388 -18.994 -7.524 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.742 -19.631 -7.857 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.603 -18.993 -8.472 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -3.981 -20.858 -7.488 1.00 0.00 N ATOM 0 H GLN A 72 -2.116 -16.266 -6.836 1.00 0.00 H new ATOM 0 HA GLN A 72 0.004 -17.886 -7.780 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.818 -17.289 -8.791 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.783 -18.487 -9.542 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.624 -19.768 -7.449 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.440 -18.502 -6.553 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.271 -21.385 -6.980 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.878 -21.291 -7.707 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.712 -15.259 -9.561 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.319 -14.421 -10.695 1.00 0.00 C ATOM 1059 C GLY A 73 -1.364 -14.488 -11.823 1.00 0.00 C ATOM 1060 O GLY A 73 -1.437 -13.581 -12.657 1.00 0.00 O ATOM 0 H GLY A 73 -1.444 -14.851 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.202 -13.389 -10.365 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.650 -14.747 -11.073 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.208 -15.543 -11.808 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.282 -15.686 -12.796 1.00 0.00 C ATOM 1066 C LYS A 74 -4.558 -16.254 -12.169 1.00 0.00 C ATOM 1067 O LYS A 74 -4.566 -17.374 -11.653 1.00 0.00 O ATOM 1068 CB LYS A 74 -2.847 -16.573 -13.987 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.210 -17.897 -13.502 1.00 0.00 C ATOM 1070 CD LYS A 74 -1.992 -18.840 -14.698 1.00 0.00 C ATOM 1071 CE LYS A 74 -0.818 -18.348 -15.556 1.00 0.00 C ATOM 1072 NZ LYS A 74 -0.593 -19.299 -16.682 1.00 0.00 N ATOM 0 H LYS A 74 -2.161 -16.299 -11.125 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.495 -14.684 -13.167 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.711 -16.792 -14.614 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.133 -16.029 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.259 -17.694 -13.009 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.856 -18.373 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.793 -19.851 -14.342 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.898 -18.888 -15.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.030 -17.352 -15.944 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.083 -18.268 -14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.202 -18.966 -17.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.373 -20.242 -16.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.451 -19.353 -17.267 1.00 0.00 H new ATOM 1086 N SER A 75 -5.648 -15.487 -12.274 1.00 0.00 N ATOM 1087 CA SER A 75 -6.964 -15.924 -11.787 1.00 0.00 C ATOM 1088 C SER A 75 -7.955 -16.008 -12.949 1.00 0.00 C ATOM 1089 O SER A 75 -7.930 -15.159 -13.845 1.00 0.00 O ATOM 1090 CB SER A 75 -7.485 -14.957 -10.719 1.00 0.00 C ATOM 1091 OG SER A 75 -6.714 -15.100 -9.535 1.00 0.00 O ATOM 0 H SER A 75 -5.646 -14.557 -12.693 1.00 0.00 H new ATOM 0 HA SER A 75 -6.859 -16.913 -11.341 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.426 -13.931 -11.082 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.535 -15.161 -10.509 1.00 0.00 H new ATOM 0 HG SER A 75 -6.815 -14.299 -8.980 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.824 -17.042 -12.939 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.813 -17.207 -14.021 1.00 0.00 C ATOM 1099 C TYR A 76 -11.250 -17.081 -13.491 1.00 0.00 C ATOM 1100 O TYR A 76 -11.918 -18.082 -13.199 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.619 -18.573 -14.711 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.251 -18.631 -15.352 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.164 -19.137 -14.629 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -8.071 -18.181 -16.665 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -5.895 -19.191 -15.218 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -6.802 -18.236 -17.255 1.00 0.00 C ATOM 1107 CZ TYR A 76 -5.713 -18.740 -16.531 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.460 -18.794 -17.112 1.00 0.00 O ATOM 0 H TYR A 76 -8.860 -17.757 -12.213 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.653 -16.411 -14.748 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.724 -19.377 -13.983 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.391 -18.723 -15.465 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.304 -19.486 -13.617 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.910 -17.792 -17.223 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.057 -19.580 -14.660 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.663 -17.890 -18.268 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.508 -18.444 -18.026 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.732 -15.839 -13.433 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.106 -15.543 -13.021 1.00 0.00 C ATOM 1120 C LEU A 77 -13.661 -14.388 -13.846 1.00 0.00 C ATOM 1121 O LEU A 77 -12.904 -13.492 -14.241 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.162 -15.204 -11.524 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.913 -16.472 -10.682 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.621 -16.069 -9.234 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.164 -17.372 -10.699 1.00 0.00 C ATOM 0 H LEU A 77 -11.184 -15.012 -13.669 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.718 -16.428 -13.194 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.414 -14.448 -11.286 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.135 -14.779 -11.276 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.066 -17.015 -11.103 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.445 -16.963 -8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.737 -15.432 -9.205 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.474 -15.524 -8.829 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.978 -18.265 -10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.011 -16.826 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.389 -17.662 -11.725 1.00 0.00 H new ATOM 1137 N TYR A 78 -14.984 -14.385 -14.079 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.610 -13.300 -14.827 1.00 0.00 C ATOM 1139 C TYR A 78 -16.085 -12.218 -13.864 1.00 0.00 C ATOM 1140 O TYR A 78 -17.216 -12.252 -13.384 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.784 -13.838 -15.653 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.244 -12.783 -16.633 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.587 -12.640 -17.861 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.326 -11.953 -16.316 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.011 -11.665 -18.772 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -18.749 -10.977 -17.228 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.092 -10.834 -18.456 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.510 -9.873 -19.355 1.00 0.00 O ATOM 0 H TYR A 78 -15.626 -15.112 -13.763 1.00 0.00 H new ATOM 0 HA TYR A 78 -14.879 -12.866 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.482 -14.738 -16.188 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.606 -14.119 -14.994 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.753 -13.282 -18.106 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.834 -12.065 -15.370 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.504 -11.554 -19.719 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.582 -10.335 -16.984 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.272 -9.384 -18.980 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.199 -11.265 -13.575 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.515 -10.182 -12.644 1.00 0.00 C ATOM 1160 C PHE A 79 -16.468 -9.201 -13.272 1.00 0.00 C ATOM 1161 O PHE A 79 -16.223 -8.718 -14.367 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.242 -9.434 -12.236 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.411 -10.278 -11.305 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.492 -11.192 -11.823 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.551 -10.133 -9.920 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.712 -11.965 -10.957 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.773 -10.905 -9.055 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.852 -11.821 -9.573 1.00 0.00 C ATOM 0 H PHE A 79 -14.260 -11.221 -13.971 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.978 -10.629 -11.764 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.661 -9.181 -13.123 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.505 -8.495 -11.749 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.383 -11.302 -12.892 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.261 -9.424 -9.520 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.001 -12.673 -11.357 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.882 -10.795 -7.986 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.249 -12.417 -8.904 1.00 0.00 H new ATOM 1178 N THR A 80 -17.526 -8.859 -12.539 1.00 0.00 N ATOM 1179 CA THR A 80 -18.476 -7.855 -13.001 1.00 0.00 C ATOM 1180 C THR A 80 -17.834 -6.469 -12.889 1.00 0.00 C ATOM 1181 O THR A 80 -17.939 -5.646 -13.800 1.00 0.00 O ATOM 1182 CB THR A 80 -19.773 -7.929 -12.172 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.331 -9.230 -12.295 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.792 -6.898 -12.684 1.00 0.00 C ATOM 0 H THR A 80 -17.744 -9.261 -11.628 1.00 0.00 H new ATOM 0 HA THR A 80 -18.734 -8.044 -14.043 1.00 0.00 H new ATOM 0 HB THR A 80 -19.540 -7.714 -11.129 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.156 -9.283 -11.768 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.703 -6.961 -12.090 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.371 -5.896 -12.597 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.025 -7.105 -13.729 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.144 -6.239 -11.763 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.444 -4.976 -11.506 1.00 0.00 C ATOM 1194 C GLN A 81 -15.788 -5.014 -10.139 1.00 0.00 C ATOM 1195 O GLN A 81 -16.086 -5.901 -9.328 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.400 -3.762 -11.608 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.591 -3.941 -10.654 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.618 -2.835 -10.880 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -20.038 -2.598 -12.013 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -20.054 -2.147 -9.863 1.00 0.00 N ATOM 0 H GLN A 81 -17.057 -6.921 -11.009 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.677 -4.858 -12.271 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -16.863 -2.846 -11.363 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -17.758 -3.657 -12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.053 -4.915 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.245 -3.920 -9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -19.704 -2.345 -8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -20.745 -1.410 -10.004 1.00 0.00 H new ATOM 1209 N PHE A 82 -14.905 -4.050 -9.879 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.219 -3.977 -8.591 1.00 0.00 C ATOM 1211 C PHE A 82 -13.993 -2.555 -8.164 1.00 0.00 C ATOM 1212 O PHE A 82 -13.892 -1.651 -9.003 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.898 -4.733 -8.635 1.00 0.00 C ATOM 1214 CG PHE A 82 -11.987 -4.180 -9.720 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.103 -3.136 -9.428 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.034 -4.719 -11.012 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.267 -2.630 -10.429 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.198 -4.213 -12.011 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.315 -3.170 -11.721 1.00 0.00 C ATOM 0 H PHE A 82 -14.650 -3.314 -10.538 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.866 -4.449 -7.852 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.402 -4.661 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.087 -5.791 -8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.066 -2.721 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.716 -5.526 -11.236 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.585 -1.823 -10.206 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.235 -4.628 -13.007 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.669 -2.780 -12.493 1.00 0.00 H new ATOM 1229 N LYS A 83 -13.976 -2.347 -6.846 1.00 0.00 N ATOM 1230 CA LYS A 83 -13.840 -1.006 -6.297 1.00 0.00 C ATOM 1231 C LYS A 83 -13.044 -1.031 -4.999 1.00 0.00 C ATOM 1232 O LYS A 83 -13.058 -2.034 -4.274 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.232 -0.401 -6.050 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.065 -0.493 -7.339 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.345 0.322 -7.192 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.163 0.203 -8.471 1.00 0.00 C ATOM 1237 NZ LYS A 83 -19.420 0.990 -8.328 1.00 0.00 N ATOM 0 H LYS A 83 -14.054 -3.086 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.301 -0.390 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.733 -0.933 -5.241 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.138 0.639 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.484 -0.124 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.309 -1.534 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -17.924 -0.037 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.105 1.367 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.586 0.569 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.396 -0.843 -8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.034 0.816 -9.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.914 0.701 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.191 2.003 -8.275 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.377 0.087 -4.695 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.594 0.204 -3.469 1.00 0.00 C ATOM 1253 C ALA A 84 -11.706 1.609 -2.894 1.00 0.00 C ATOM 1254 O ALA A 84 -11.792 2.589 -3.642 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.128 -0.133 -3.745 1.00 0.00 C ATOM 0 H ALA A 84 -12.366 0.921 -5.283 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.990 -0.503 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.554 -0.042 -2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.054 -1.154 -4.120 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.730 0.557 -4.489 1.00 0.00 H new ATOM 1261 N GLU A 85 -11.721 1.698 -1.560 1.00 0.00 N ATOM 1262 CA GLU A 85 -11.840 2.984 -0.874 1.00 0.00 C ATOM 1263 C GLU A 85 -11.243 2.901 0.534 1.00 0.00 C ATOM 1264 O GLU A 85 -10.913 1.815 0.999 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.317 3.426 -0.828 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.166 2.390 -0.067 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.641 2.793 -0.088 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -15.921 3.966 0.109 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.469 1.922 -0.300 1.00 0.00 O ATOM 0 H GLU A 85 -11.652 0.894 -0.936 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.277 3.733 -1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.397 4.398 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.699 3.544 -1.842 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.044 1.406 -0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.818 2.311 0.963 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.083 4.058 1.193 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.497 4.102 2.550 1.00 0.00 C ATOM 1278 C VAL A 86 -11.370 4.895 3.515 1.00 0.00 C ATOM 1279 O VAL A 86 -12.217 5.688 3.093 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.077 4.696 2.521 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.164 3.807 1.676 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.103 6.112 1.923 1.00 0.00 C ATOM 0 H VAL A 86 -11.346 4.969 0.817 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.442 3.073 2.906 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.698 4.747 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.160 4.230 1.657 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.128 2.807 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.552 3.749 0.659 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.092 6.520 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.492 6.070 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.744 6.752 2.530 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.153 4.670 4.819 1.00 0.00 N ATOM 1293 CA ARG A 87 -11.921 5.361 5.860 1.00 0.00 C ATOM 1294 C ARG A 87 -10.992 6.008 6.885 1.00 0.00 C ATOM 1295 O ARG A 87 -9.964 5.431 7.259 1.00 0.00 O ATOM 1296 CB ARG A 87 -12.859 4.373 6.582 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.826 3.696 5.585 1.00 0.00 C ATOM 1298 CD ARG A 87 -14.845 4.708 5.045 1.00 0.00 C ATOM 1299 NE ARG A 87 -15.662 5.251 6.147 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.739 4.601 6.661 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.113 3.421 6.203 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.420 5.157 7.627 1.00 0.00 N ATOM 0 H ARG A 87 -10.455 4.017 5.175 1.00 0.00 H new ATOM 0 HA ARG A 87 -12.512 6.138 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.268 3.613 7.093 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.430 4.901 7.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.261 3.265 4.758 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.347 2.875 6.077 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.326 5.519 4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.489 4.228 4.308 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.407 6.156 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.590 2.978 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -17.925 2.952 6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.142 6.070 7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.230 4.679 8.021 1.00 0.00 H new ATOM 1316 N GLY A 88 -11.386 7.194 7.363 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.616 7.921 8.382 1.00 0.00 C ATOM 1318 C GLY A 88 -9.431 8.710 7.786 1.00 0.00 C ATOM 1319 O GLY A 88 -8.663 9.331 8.530 1.00 0.00 O ATOM 0 H GLY A 88 -12.235 7.672 7.061 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.277 8.610 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.240 7.213 9.121 1.00 0.00 H new ATOM 1323 N ALA A 89 -9.279 8.670 6.451 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.180 9.367 5.778 1.00 0.00 C ATOM 1325 C ALA A 89 -8.533 9.682 4.327 1.00 0.00 C ATOM 1326 O ALA A 89 -9.465 9.099 3.764 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.903 8.518 5.835 1.00 0.00 C ATOM 0 H ALA A 89 -9.903 8.163 5.823 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.009 10.309 6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.093 9.045 5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.630 8.341 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.078 7.564 5.338 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.760 10.592 3.722 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.964 10.975 2.322 1.00 0.00 C ATOM 1335 C GLU A 90 -6.887 10.341 1.439 1.00 0.00 C ATOM 1336 O GLU A 90 -5.737 10.186 1.867 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.941 12.514 2.170 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.598 13.084 2.675 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.588 14.611 2.569 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.090 15.126 1.579 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.078 15.242 3.480 1.00 0.00 O ATOM 0 H GLU A 90 -6.988 11.076 4.181 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.941 10.611 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.088 12.785 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.765 12.954 2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.436 12.785 3.710 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.777 12.668 2.091 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.276 9.948 0.221 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.348 9.291 -0.710 1.00 0.00 C ATOM 1350 C ILE A 91 -5.603 10.333 -1.547 1.00 0.00 C ATOM 1351 O ILE A 91 -6.218 11.085 -2.310 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.117 8.303 -1.636 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -7.845 7.249 -0.771 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.120 7.581 -2.576 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -8.847 6.456 -1.629 1.00 0.00 C ATOM 0 H ILE A 91 -8.221 10.072 -0.143 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.618 8.727 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.841 8.861 -2.230 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.119 6.569 -0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.367 7.740 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.663 6.891 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.599 8.317 -3.188 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.395 7.026 -1.980 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.353 5.717 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.583 7.139 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.315 5.950 -2.435 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.268 10.327 -1.435 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.430 11.228 -2.223 1.00 0.00 C ATOM 1369 C GLU A 92 -3.182 10.651 -3.613 1.00 0.00 C ATOM 1370 O GLU A 92 -3.134 11.389 -4.602 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.085 11.462 -1.535 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.293 12.159 -0.192 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.938 12.475 0.437 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.107 11.583 0.486 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.752 13.605 0.857 1.00 0.00 O ATOM 0 H GLU A 92 -3.751 9.710 -0.808 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.959 12.177 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.575 10.510 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.443 12.070 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.863 13.077 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.874 11.521 0.474 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.004 9.321 -3.675 1.00 0.00 N ATOM 1383 CA TYR A 93 -2.736 8.641 -4.936 1.00 0.00 C ATOM 1384 C TYR A 93 -3.247 7.198 -4.894 1.00 0.00 C ATOM 1385 O TYR A 93 -2.940 6.448 -3.962 1.00 0.00 O ATOM 1386 CB TYR A 93 -1.231 8.658 -5.214 1.00 0.00 C ATOM 1387 CG TYR A 93 -0.958 8.188 -6.626 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -1.148 9.065 -7.700 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -0.514 6.881 -6.859 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -0.895 8.638 -9.006 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -0.260 6.454 -8.166 1.00 0.00 C ATOM 1392 CZ TYR A 93 -0.451 7.334 -9.240 1.00 0.00 C ATOM 1393 OH TYR A 93 -0.201 6.914 -10.530 1.00 0.00 O ATOM 0 H TYR A 93 -3.042 8.704 -2.864 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.260 9.164 -5.736 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.839 9.666 -5.076 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.714 8.014 -4.502 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.491 10.073 -7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.368 6.204 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -1.043 9.315 -9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.083 5.446 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 93 0.240 6.039 -10.509 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.006 6.816 -5.924 1.00 0.00 N ATOM 1404 CA ALA A 94 -4.546 5.461 -6.034 1.00 0.00 C ATOM 1405 C ALA A 94 -4.595 5.027 -7.497 1.00 0.00 C ATOM 1406 O ALA A 94 -4.965 5.816 -8.373 1.00 0.00 O ATOM 1407 CB ALA A 94 -5.953 5.406 -5.432 1.00 0.00 C ATOM 0 H ALA A 94 -4.261 7.431 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 94 -3.894 4.782 -5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.347 4.393 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.910 5.690 -4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.605 6.096 -5.968 1.00 0.00 H new ATOM 1413 N MET A 95 -4.219 3.768 -7.755 1.00 0.00 N ATOM 1414 CA MET A 95 -4.221 3.226 -9.116 1.00 0.00 C ATOM 1415 C MET A 95 -4.171 1.698 -9.108 1.00 0.00 C ATOM 1416 O MET A 95 -4.015 1.078 -8.054 1.00 0.00 O ATOM 1417 CB MET A 95 -3.056 3.812 -9.944 1.00 0.00 C ATOM 1418 CG MET A 95 -1.704 3.402 -9.342 1.00 0.00 C ATOM 1419 SD MET A 95 -0.369 4.053 -10.376 1.00 0.00 S ATOM 1420 CE MET A 95 -0.656 2.991 -11.810 1.00 0.00 C ATOM 0 H MET A 95 -3.911 3.109 -7.040 1.00 0.00 H new ATOM 0 HA MET A 95 -5.157 3.523 -9.589 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.123 3.462 -10.974 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.133 4.899 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 95 -1.613 3.786 -8.326 1.00 0.00 H new ATOM 0 HG3 MET A 95 -1.635 2.316 -9.279 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.255 2.931 -12.406 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.936 1.993 -11.473 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.460 3.408 -12.417 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.314 1.104 -10.295 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.285 -0.351 -10.444 1.00 0.00 C ATOM 1432 C ALA A 96 -3.429 -0.745 -11.639 1.00 0.00 C ATOM 1433 O ALA A 96 -3.329 0.009 -12.608 1.00 0.00 O ATOM 1434 CB ALA A 96 -5.699 -0.886 -10.636 1.00 0.00 C ATOM 0 H ALA A 96 -4.451 1.611 -11.169 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.855 -0.781 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.666 -1.970 -10.746 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.307 -0.627 -9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.137 -0.444 -11.531 1.00 0.00 H new ATOM 1440 N TYR A 97 -2.808 -1.929 -11.563 1.00 0.00 N ATOM 1441 CA TYR A 97 -1.955 -2.418 -12.662 1.00 0.00 C ATOM 1442 C TYR A 97 -2.543 -3.672 -13.304 1.00 0.00 C ATOM 1443 O TYR A 97 -2.485 -4.759 -12.720 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.562 -2.737 -12.137 1.00 0.00 C ATOM 1445 CG TYR A 97 0.114 -1.477 -11.649 1.00 0.00 C ATOM 1446 CD1 TYR A 97 0.034 -1.117 -10.298 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.825 -0.673 -12.547 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.667 0.047 -9.846 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.456 0.490 -12.095 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.377 0.851 -10.744 1.00 0.00 C ATOM 1451 OH TYR A 97 2.000 1.999 -10.300 1.00 0.00 O ATOM 0 H TYR A 97 -2.876 -2.561 -10.765 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.900 -1.632 -13.415 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.629 -3.460 -11.324 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.035 -3.197 -12.925 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.516 -1.737 -9.605 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.886 -0.951 -13.589 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.607 0.324 -8.804 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.005 1.110 -12.788 1.00 0.00 H new ATOM 0 HH TYR A 97 1.330 2.700 -10.156 1.00 0.00 H new ATOM 1461 N SER A 98 -3.076 -3.523 -14.526 1.00 0.00 N ATOM 1462 CA SER A 98 -3.636 -4.664 -15.268 1.00 0.00 C ATOM 1463 C SER A 98 -2.543 -5.642 -15.655 1.00 0.00 C ATOM 1464 O SER A 98 -2.725 -6.861 -15.582 1.00 0.00 O ATOM 1465 CB SER A 98 -4.341 -4.184 -16.531 1.00 0.00 C ATOM 1466 OG SER A 98 -5.470 -3.405 -16.175 1.00 0.00 O ATOM 0 H SER A 98 -3.131 -2.632 -15.019 1.00 0.00 H new ATOM 0 HA SER A 98 -4.353 -5.164 -14.617 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.656 -3.594 -17.141 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.650 -5.037 -17.134 1.00 0.00 H new ATOM 0 HG SER A 98 -5.921 -3.814 -15.407 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.412 -5.089 -16.090 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.276 -5.882 -16.526 1.00 0.00 C ATOM 1474 C LYS A 99 1.020 -5.248 -16.034 1.00 0.00 C ATOM 1475 O LYS A 99 1.226 -4.037 -16.181 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.271 -5.985 -18.070 1.00 0.00 C ATOM 1477 CG LYS A 99 0.901 -6.862 -18.568 1.00 0.00 C ATOM 1478 CD LYS A 99 0.648 -8.335 -18.215 1.00 0.00 C ATOM 1479 CE LYS A 99 1.707 -9.211 -18.891 1.00 0.00 C ATOM 1480 NZ LYS A 99 3.050 -8.889 -18.333 1.00 0.00 N ATOM 0 H LYS A 99 -1.263 -4.082 -16.148 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.356 -6.885 -16.106 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.216 -6.408 -18.412 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.192 -4.988 -18.503 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.014 -6.753 -19.647 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.834 -6.527 -18.115 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.683 -8.472 -17.134 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.348 -8.633 -18.542 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.478 -10.265 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.699 -9.043 -19.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.515 -9.765 -18.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.630 -8.431 -19.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.944 -8.245 -17.523 1.00 0.00 H new ATOM 1494 N ALA A 100 1.895 -6.079 -15.475 1.00 0.00 N ATOM 1495 CA ALA A 100 3.186 -5.618 -14.985 1.00 0.00 C ATOM 1496 C ALA A 100 4.172 -5.530 -16.135 1.00 0.00 C ATOM 1497 O ALA A 100 4.105 -6.326 -17.077 1.00 0.00 O ATOM 1498 CB ALA A 100 3.721 -6.575 -13.916 1.00 0.00 C ATOM 0 H ALA A 100 1.731 -7.078 -15.351 1.00 0.00 H new ATOM 0 HA ALA A 100 3.060 -4.630 -14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.687 -6.218 -13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.019 -6.619 -13.083 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.838 -7.570 -14.344 1.00 0.00 H new ATOM 1599 N ASP A 107 4.600 -1.354 -18.424 1.00 0.00 N ATOM 1600 CA ASP A 107 3.614 -1.601 -17.363 1.00 0.00 C ATOM 1601 C ASP A 107 2.320 -0.842 -17.676 1.00 0.00 C ATOM 1602 O ASP A 107 2.333 0.391 -17.763 1.00 0.00 O ATOM 1603 CB ASP A 107 4.166 -1.144 -16.001 1.00 0.00 C ATOM 1604 CG ASP A 107 3.180 -1.460 -14.853 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.059 -1.878 -15.130 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.567 -1.277 -13.711 1.00 0.00 O ATOM 0 HA ASP A 107 3.408 -2.670 -17.317 1.00 0.00 H new ATOM 0 HB2 ASP A 107 5.119 -1.638 -15.810 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.362 -0.072 -16.028 1.00 0.00 H new ATOM 1611 N VAL A 108 1.217 -1.583 -17.904 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.058 -0.951 -18.280 1.00 0.00 C ATOM 1613 C VAL A 108 -0.985 -0.755 -17.035 1.00 0.00 C ATOM 1614 O VAL A 108 -1.569 -1.729 -16.552 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.779 -1.830 -19.345 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.101 -1.175 -19.778 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.119 -1.990 -20.582 1.00 0.00 C ATOM 0 H VAL A 108 1.184 -2.600 -17.836 1.00 0.00 H new ATOM 0 HA VAL A 108 0.156 0.033 -18.697 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.985 -2.804 -18.902 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.591 -1.803 -20.522 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.753 -1.063 -18.911 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.897 -0.194 -20.208 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.390 -2.606 -21.324 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.330 -1.009 -21.008 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.054 -2.469 -20.293 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.188 0.500 -16.552 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.123 0.783 -15.420 1.00 0.00 C ATOM 1629 C PRO A 109 -3.561 0.994 -15.906 1.00 0.00 C ATOM 1630 O PRO A 109 -3.779 1.449 -17.034 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.559 2.071 -14.842 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.058 2.821 -16.032 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.547 1.768 -17.022 1.00 0.00 C ATOM 0 HA PRO A 109 -2.183 -0.037 -14.705 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.324 2.636 -14.309 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.757 1.871 -14.132 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.853 3.419 -16.477 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.261 3.509 -15.750 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.835 2.007 -18.046 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.541 1.697 -17.006 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.535 0.707 -15.032 1.00 0.00 N ATOM 1642 CA LEU A 110 -5.957 0.918 -15.363 1.00 0.00 C ATOM 1643 C LEU A 110 -6.303 2.404 -15.401 1.00 0.00 C ATOM 1644 O LEU A 110 -5.715 3.210 -14.673 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.874 0.196 -14.364 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.849 -1.323 -14.619 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.498 -2.059 -13.432 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.644 -1.638 -15.902 1.00 0.00 C ATOM 0 H LEU A 110 -4.370 0.331 -14.098 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.121 0.497 -16.355 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.550 0.406 -13.345 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.893 0.571 -14.458 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.816 -1.652 -14.732 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.479 -3.133 -13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.945 -1.837 -12.520 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.531 -1.729 -13.320 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.628 -2.712 -16.085 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.675 -1.305 -15.782 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.191 -1.119 -16.747 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.267 2.756 -16.261 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.710 4.134 -16.414 1.00 0.00 C ATOM 1662 C LYS A 111 -8.476 4.577 -15.170 1.00 0.00 C ATOM 1663 O LYS A 111 -9.387 3.883 -14.711 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.600 4.243 -17.664 1.00 0.00 C ATOM 1665 CG LYS A 111 -8.858 5.711 -18.020 1.00 0.00 C ATOM 1666 CD LYS A 111 -9.560 5.768 -19.385 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.731 7.224 -19.828 1.00 0.00 C ATOM 1668 NZ LYS A 111 -10.373 7.262 -21.173 1.00 0.00 N ATOM 0 H LYS A 111 -7.755 2.093 -16.864 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.845 4.787 -16.534 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.120 3.739 -18.503 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.548 3.735 -17.487 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.477 6.182 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.919 6.263 -18.054 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -8.977 5.220 -20.126 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.534 5.282 -19.323 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.342 7.766 -19.106 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.762 7.721 -19.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.489 8.251 -21.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.773 6.759 -21.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.305 6.802 -21.126 1.00 0.00 H new ATOM 1682 N THR A 112 -8.090 5.732 -14.629 1.00 0.00 N ATOM 1683 CA THR A 112 -8.722 6.282 -13.424 1.00 0.00 C ATOM 1684 C THR A 112 -10.214 6.538 -13.681 1.00 0.00 C ATOM 1685 O THR A 112 -11.052 6.332 -12.799 1.00 0.00 O ATOM 1686 CB THR A 112 -8.011 7.593 -13.011 1.00 0.00 C ATOM 1687 OG1 THR A 112 -6.636 7.322 -12.778 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.632 8.156 -11.718 1.00 0.00 C ATOM 0 H THR A 112 -7.339 6.310 -15.006 1.00 0.00 H new ATOM 0 HA THR A 112 -8.630 5.562 -12.611 1.00 0.00 H new ATOM 0 HB THR A 112 -8.126 8.324 -13.811 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.179 8.149 -12.518 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.121 9.078 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.690 8.362 -11.882 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.525 7.426 -10.915 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.519 7.012 -14.886 1.00 0.00 N ATOM 1697 CA GLU A 113 -11.893 7.334 -15.279 1.00 0.00 C ATOM 1698 C GLU A 113 -12.796 6.091 -15.352 1.00 0.00 C ATOM 1699 O GLU A 113 -14.019 6.221 -15.473 1.00 0.00 O ATOM 1700 CB GLU A 113 -11.896 8.045 -16.622 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.304 9.448 -16.462 1.00 0.00 C ATOM 1702 CD GLU A 113 -11.375 10.207 -17.784 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -10.524 9.977 -18.625 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -12.284 11.007 -17.936 1.00 0.00 O ATOM 0 H GLU A 113 -9.827 7.184 -15.616 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.300 7.987 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.316 7.475 -17.348 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.913 8.110 -17.008 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.848 9.994 -15.692 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.268 9.377 -16.131 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.193 4.897 -15.294 1.00 0.00 N ATOM 1712 CA GLU A 114 -12.950 3.644 -15.370 1.00 0.00 C ATOM 1713 C GLU A 114 -13.919 3.508 -14.185 1.00 0.00 C ATOM 1714 O GLU A 114 -14.983 2.894 -14.315 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.000 2.444 -15.403 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.779 1.186 -15.796 1.00 0.00 C ATOM 1717 CD GLU A 114 -13.218 1.275 -17.260 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -14.256 1.862 -17.513 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.509 0.755 -18.103 1.00 0.00 O ATOM 0 H GLU A 114 -11.185 4.774 -15.195 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.532 3.664 -16.291 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.195 2.624 -16.116 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.536 2.307 -14.426 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.158 0.303 -15.648 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.652 1.073 -15.153 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.533 4.071 -13.035 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.366 4.023 -11.826 1.00 0.00 C ATOM 1728 C PHE A 115 -14.062 5.200 -10.892 1.00 0.00 C ATOM 1729 O PHE A 115 -13.026 5.859 -11.025 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.193 2.680 -11.088 1.00 0.00 C ATOM 1731 CG PHE A 115 -12.744 2.484 -10.675 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.303 2.950 -9.434 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -11.852 1.834 -11.537 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -10.968 2.768 -9.050 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.517 1.651 -11.155 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.074 2.119 -9.911 1.00 0.00 C ATOM 0 H PHE A 115 -12.649 4.566 -12.915 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.406 4.106 -12.140 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -14.835 2.657 -10.207 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.508 1.860 -11.734 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -12.992 3.451 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.193 1.474 -12.496 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.628 3.128 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -9.829 1.149 -11.819 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.044 1.980 -9.616 1.00 0.00 H new ATOM 1746 N GLU A 116 -14.991 5.467 -9.970 1.00 0.00 N ATOM 1747 CA GLU A 116 -14.861 6.581 -9.026 1.00 0.00 C ATOM 1748 C GLU A 116 -14.786 6.074 -7.580 1.00 0.00 C ATOM 1749 O GLU A 116 -15.618 5.265 -7.154 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.062 7.528 -9.181 1.00 0.00 C ATOM 1751 CG GLU A 116 -15.854 8.794 -8.342 1.00 0.00 C ATOM 1752 CD GLU A 116 -14.716 9.630 -8.922 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -13.586 9.424 -8.510 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -14.992 10.460 -9.771 1.00 0.00 O ATOM 0 H GLU A 116 -15.847 4.923 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 116 -13.937 7.115 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.190 7.796 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -16.975 7.022 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.772 9.381 -8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.627 8.523 -7.311 1.00 0.00 H new ATOM 1761 N VAL A 117 -13.804 6.586 -6.825 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.641 6.218 -5.411 1.00 0.00 C ATOM 1763 C VAL A 117 -13.536 7.466 -4.530 1.00 0.00 C ATOM 1764 O VAL A 117 -12.962 8.479 -4.941 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.392 5.329 -5.219 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.561 4.030 -6.009 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.131 6.062 -5.716 1.00 0.00 C ATOM 0 H VAL A 117 -13.113 7.253 -7.168 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.523 5.654 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.281 5.107 -4.158 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.679 3.404 -5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.442 3.498 -5.651 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.682 4.261 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.259 5.423 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.240 6.297 -6.775 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.000 6.985 -5.151 1.00 0.00 H new ATOM 1777 N THR A 118 -14.070 7.368 -3.309 1.00 0.00 N ATOM 1778 CA THR A 118 -14.015 8.470 -2.345 1.00 0.00 C ATOM 1779 C THR A 118 -13.782 7.935 -0.939 1.00 0.00 C ATOM 1780 O THR A 118 -14.066 6.767 -0.654 1.00 0.00 O ATOM 1781 CB THR A 118 -15.303 9.305 -2.389 1.00 0.00 C ATOM 1782 OG1 THR A 118 -15.619 9.614 -3.740 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.094 10.608 -1.611 1.00 0.00 C ATOM 0 H THR A 118 -14.546 6.534 -2.964 1.00 0.00 H new ATOM 0 HA THR A 118 -13.181 9.116 -2.618 1.00 0.00 H new ATOM 0 HB THR A 118 -16.118 8.737 -1.941 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.442 10.146 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.008 11.201 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 118 -14.846 10.377 -0.575 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.279 11.174 -2.062 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.257 8.794 -0.072 1.00 0.00 N ATOM 1792 CA LYS A 119 -12.967 8.420 1.316 1.00 0.00 C ATOM 1793 C LYS A 119 -14.219 7.951 2.073 1.00 0.00 C ATOM 1794 O LYS A 119 -14.103 7.354 3.150 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.305 9.596 2.060 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.255 10.813 2.094 1.00 0.00 C ATOM 1797 CD LYS A 119 -12.558 12.008 2.765 1.00 0.00 C ATOM 1798 CE LYS A 119 -12.477 11.784 4.280 1.00 0.00 C ATOM 1799 NZ LYS A 119 -11.881 12.986 4.930 1.00 0.00 N ATOM 0 H LYS A 119 -13.021 9.759 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.277 7.577 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.052 9.295 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.372 9.868 1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -13.555 11.079 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.164 10.559 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.557 12.134 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.107 12.926 2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.472 11.595 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.872 10.903 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -11.826 12.834 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.925 13.147 4.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.475 13.817 4.734 1.00 0.00 H new ATOM 1813 N THR A 120 -15.413 8.282 1.544 1.00 0.00 N ATOM 1814 CA THR A 120 -16.666 7.949 2.232 1.00 0.00 C ATOM 1815 C THR A 120 -17.710 7.266 1.318 1.00 0.00 C ATOM 1816 O THR A 120 -18.720 6.754 1.813 1.00 0.00 O ATOM 1817 CB THR A 120 -17.241 9.219 2.870 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.387 8.891 3.643 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.619 10.243 1.786 1.00 0.00 C ATOM 0 H THR A 120 -15.532 8.772 0.657 1.00 0.00 H new ATOM 0 HA THR A 120 -16.431 7.215 3.002 1.00 0.00 H new ATOM 0 HB THR A 120 -16.482 9.660 3.516 1.00 0.00 H new ATOM 0 HG1 THR A 120 -18.840 8.119 3.245 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.025 11.138 2.257 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.732 10.507 1.210 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.368 9.811 1.122 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.476 7.282 -0.006 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.429 6.678 -0.957 1.00 0.00 C ATOM 1829 C ALA A 121 -17.736 6.214 -2.236 1.00 0.00 C ATOM 1830 O ALA A 121 -16.634 6.657 -2.550 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.534 7.679 -1.303 1.00 0.00 C ATOM 0 H ALA A 121 -16.651 7.698 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 121 -18.864 5.803 -0.474 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.231 7.223 -2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.066 7.962 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.092 8.567 -1.756 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.398 5.313 -2.972 1.00 0.00 N ATOM 1838 CA VAL A 122 -17.853 4.796 -4.237 1.00 0.00 C ATOM 1839 C VAL A 122 -18.899 4.798 -5.336 1.00 0.00 C ATOM 1840 O VAL A 122 -20.101 4.697 -5.065 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.289 3.374 -4.057 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.129 3.415 -3.081 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.378 2.429 -3.515 1.00 0.00 C ATOM 0 H VAL A 122 -19.307 4.927 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.042 5.463 -4.532 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.950 3.003 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -15.727 2.410 -2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -15.349 4.070 -3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.476 3.794 -2.120 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.964 1.428 -3.393 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -18.731 2.795 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -19.211 2.394 -4.217 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.426 4.873 -6.580 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.304 4.843 -7.738 1.00 0.00 C ATOM 1855 C ALA A 123 -18.561 4.317 -8.962 1.00 0.00 C ATOM 1856 O ALA A 123 -17.330 4.340 -9.004 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.869 6.236 -8.021 1.00 0.00 C ATOM 0 H ALA A 123 -17.435 4.955 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.133 4.170 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.524 6.193 -8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.436 6.581 -7.157 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.050 6.928 -8.217 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.320 3.828 -9.950 1.00 0.00 N ATOM 1864 CA HIS A 124 -18.736 3.282 -11.181 1.00 0.00 C ATOM 1865 C HIS A 124 -18.905 4.248 -12.354 1.00 0.00 C ATOM 1866 O HIS A 124 -19.821 5.077 -12.364 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.364 1.912 -11.523 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.861 2.045 -11.719 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.742 2.161 -10.655 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.634 2.078 -12.852 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -22.983 2.259 -11.168 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -22.973 2.213 -12.503 1.00 0.00 N ATOM 0 H HIS A 124 -20.339 3.799 -9.921 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.669 3.145 -11.006 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -18.907 1.513 -12.429 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.158 1.202 -10.722 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.259 2.009 -13.862 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -23.878 2.362 -10.572 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.775 2.266 -13.131 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.015 4.121 -13.338 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.048 4.970 -14.531 1.00 0.00 C ATOM 1882 C ARG A 125 -18.384 4.131 -15.782 1.00 0.00 C ATOM 1883 O ARG A 125 -18.091 2.932 -15.809 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.688 5.654 -14.726 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.365 6.562 -13.521 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.237 7.825 -13.560 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.948 8.611 -14.773 1.00 0.00 N ATOM 1888 CZ ARG A 125 -17.667 9.705 -15.140 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -18.682 10.135 -14.413 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -17.349 10.340 -16.235 1.00 0.00 N ATOM 0 H ARG A 125 -17.259 3.436 -13.333 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.820 5.727 -14.393 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.908 4.901 -14.841 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.699 6.245 -15.642 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.538 6.020 -12.591 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.311 6.838 -13.537 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -18.291 7.548 -13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.051 8.431 -12.673 1.00 0.00 H new ATOM 0 HE ARG A 125 -16.171 8.320 -15.366 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.940 9.644 -13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.208 10.958 -14.707 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -16.568 10.014 -16.805 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -17.881 11.162 -16.521 1.00 0.00 H new ATOM 1904 N PRO A 126 -18.980 4.734 -16.838 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.317 3.984 -18.093 1.00 0.00 C ATOM 1906 C PRO A 126 -18.078 3.333 -18.696 1.00 0.00 C ATOM 1907 O PRO A 126 -16.985 3.907 -18.655 1.00 0.00 O ATOM 1908 CB PRO A 126 -19.872 5.068 -19.028 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.369 6.137 -18.117 1.00 0.00 C ATOM 1910 CD PRO A 126 -19.393 6.163 -16.949 1.00 0.00 C ATOM 0 HA PRO A 126 -20.022 3.172 -17.918 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.100 5.446 -19.698 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.674 4.678 -19.655 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -20.400 7.101 -18.624 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.382 5.923 -17.777 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.543 6.816 -17.146 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.865 6.521 -16.034 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.255 2.127 -19.242 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.143 1.383 -19.842 1.00 0.00 C ATOM 1920 C GLY A 127 -16.323 0.608 -18.790 1.00 0.00 C ATOM 1921 O GLY A 127 -15.221 0.135 -19.087 1.00 0.00 O ATOM 0 H GLY A 127 -19.154 1.646 -19.281 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.533 0.684 -20.582 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.489 2.076 -20.371 1.00 0.00 H new ATOM 1925 N ALA A 128 -16.868 0.479 -17.564 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.188 -0.240 -16.482 1.00 0.00 C ATOM 1927 C ALA A 128 -15.772 -1.637 -16.945 1.00 0.00 C ATOM 1928 O ALA A 128 -16.483 -2.278 -17.724 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.111 -0.350 -15.265 1.00 0.00 C ATOM 0 H ALA A 128 -17.776 0.865 -17.304 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.293 0.317 -16.205 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.598 -0.885 -14.466 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.378 0.649 -14.919 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.015 -0.892 -15.542 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.601 -2.088 -16.476 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.069 -3.403 -16.860 1.00 0.00 C ATOM 1937 C PHE A 129 -14.853 -4.532 -16.205 1.00 0.00 C ATOM 1938 O PHE A 129 -15.265 -4.427 -15.047 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.580 -3.531 -16.485 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.713 -2.737 -17.454 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.022 -1.601 -17.017 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.600 -3.151 -18.790 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.219 -0.880 -17.911 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.799 -2.427 -19.682 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.109 -1.293 -19.242 1.00 0.00 C ATOM 0 H PHE A 129 -14.006 -1.565 -15.833 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.173 -3.484 -17.942 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.423 -3.170 -15.469 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.284 -4.580 -16.500 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.108 -1.280 -15.989 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.131 -4.028 -19.130 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.685 -0.005 -17.572 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.714 -2.745 -20.711 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.491 -0.736 -19.931 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.018 -5.627 -16.949 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.715 -6.822 -16.441 1.00 0.00 C ATOM 1957 C LYS A 130 -15.146 -8.137 -17.033 1.00 0.00 C ATOM 1958 O LYS A 130 -15.642 -9.225 -16.730 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.229 -6.734 -16.692 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.509 -6.597 -18.195 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.018 -6.489 -18.427 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.297 -6.355 -19.925 1.00 0.00 C ATOM 1963 NZ LYS A 130 -20.768 -6.255 -20.148 1.00 0.00 N ATOM 0 H LYS A 130 -14.680 -5.716 -17.907 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.540 -6.846 -15.365 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.722 -7.625 -16.302 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.645 -5.880 -16.158 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.006 -5.715 -18.590 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.109 -7.458 -18.730 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.521 -7.371 -18.030 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.418 -5.627 -17.894 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -18.797 -5.471 -20.322 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -18.895 -7.216 -20.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -20.959 -6.164 -21.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.233 -7.111 -19.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.139 -5.421 -19.650 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.090 -8.023 -17.850 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.424 -9.188 -18.440 1.00 0.00 C ATOM 1979 C ALA A 131 -11.892 -9.066 -18.296 1.00 0.00 C ATOM 1980 O ALA A 131 -11.134 -9.644 -19.083 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.806 -9.318 -19.919 1.00 0.00 C ATOM 0 H ALA A 131 -13.678 -7.129 -18.117 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.751 -10.082 -17.909 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.306 -10.186 -20.349 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.886 -9.440 -20.007 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.498 -8.420 -20.455 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.454 -8.277 -17.298 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.040 -8.027 -17.057 1.00 0.00 C ATOM 1989 C GLU A 132 -9.738 -8.095 -15.550 1.00 0.00 C ATOM 1990 O GLU A 132 -10.484 -7.543 -14.734 1.00 0.00 O ATOM 1991 CB GLU A 132 -9.668 -6.641 -17.627 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.167 -6.359 -17.436 1.00 0.00 C ATOM 1993 CD GLU A 132 -7.800 -5.019 -18.066 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.435 -4.035 -17.729 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -6.889 -4.997 -18.877 1.00 0.00 O ATOM 0 H GLU A 132 -12.076 -7.801 -16.644 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.442 -8.790 -17.555 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -9.919 -6.599 -18.687 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.254 -5.868 -17.130 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -7.923 -6.349 -16.374 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -7.579 -7.156 -17.890 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.637 -8.772 -15.200 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.227 -8.919 -13.798 1.00 0.00 C ATOM 2004 C LEU A 133 -6.996 -8.059 -13.521 1.00 0.00 C ATOM 2005 O LEU A 133 -6.118 -7.934 -14.383 1.00 0.00 O ATOM 2006 CB LEU A 133 -7.915 -10.391 -13.487 1.00 0.00 C ATOM 2007 CG LEU A 133 -9.223 -11.189 -13.330 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -9.857 -11.430 -14.709 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -8.915 -12.538 -12.668 1.00 0.00 C ATOM 0 H LEU A 133 -8.015 -9.226 -15.868 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.045 -8.589 -13.158 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.312 -10.820 -14.288 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.326 -10.460 -12.573 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.919 -10.623 -12.710 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.782 -11.995 -14.591 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.075 -10.472 -15.182 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.165 -11.994 -15.334 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.838 -13.107 -12.555 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.218 -13.098 -13.291 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.470 -12.369 -11.687 1.00 0.00 H new ATOM 2021 N SER A 134 -6.958 -7.426 -12.336 1.00 0.00 N ATOM 2022 CA SER A 134 -5.852 -6.532 -11.989 1.00 0.00 C ATOM 2023 C SER A 134 -5.672 -6.393 -10.478 1.00 0.00 C ATOM 2024 O SER A 134 -6.462 -6.922 -9.693 1.00 0.00 O ATOM 2025 CB SER A 134 -6.095 -5.159 -12.612 1.00 0.00 C ATOM 2026 OG SER A 134 -4.993 -4.311 -12.336 1.00 0.00 O ATOM 0 H SER A 134 -7.673 -7.518 -11.614 1.00 0.00 H new ATOM 0 HA SER A 134 -4.935 -6.968 -12.385 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.232 -5.256 -13.689 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.011 -4.724 -12.212 1.00 0.00 H new ATOM 0 HG SER A 134 -4.160 -4.823 -12.407 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.627 -5.643 -10.086 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.332 -5.390 -8.674 1.00 0.00 C ATOM 2034 C LYS A 135 -4.479 -3.905 -8.346 1.00 0.00 C ATOM 2035 O LYS A 135 -4.462 -3.054 -9.241 1.00 0.00 O ATOM 2036 CB LYS A 135 -2.913 -5.882 -8.307 1.00 0.00 C ATOM 2037 CG LYS A 135 -1.855 -5.171 -9.161 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.467 -5.687 -8.779 1.00 0.00 C ATOM 2039 CE LYS A 135 0.592 -4.983 -9.625 1.00 0.00 C ATOM 2040 NZ LYS A 135 1.943 -5.482 -9.245 1.00 0.00 N ATOM 0 H LYS A 135 -3.974 -5.202 -10.734 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.053 -5.949 -8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.720 -5.696 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -2.846 -6.959 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.044 -5.351 -10.219 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -1.910 -4.093 -9.006 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.280 -5.507 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.413 -6.765 -8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.409 -5.167 -10.684 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.535 -3.905 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.665 -5.003 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 2.116 -5.284 -8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.993 -6.508 -9.410 1.00 0.00 H new ATOM 2054 N LEU A 136 -4.666 -3.616 -7.060 1.00 0.00 N ATOM 2055 CA LEU A 136 -4.874 -2.243 -6.587 1.00 0.00 C ATOM 2056 C LEU A 136 -3.767 -1.792 -5.643 1.00 0.00 C ATOM 2057 O LEU A 136 -3.273 -2.573 -4.826 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.214 -2.150 -5.851 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.384 -2.109 -6.848 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -8.685 -2.462 -6.120 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -7.507 -0.689 -7.430 1.00 0.00 C ATOM 0 H LEU A 136 -4.678 -4.318 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 136 -4.867 -1.592 -7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.328 -3.005 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.230 -1.256 -5.228 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.203 -2.825 -7.650 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.516 -2.433 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -8.604 -3.462 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -8.862 -1.742 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.336 -0.656 -8.137 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.691 0.020 -6.623 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.582 -0.424 -7.942 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.451 -0.499 -5.710 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.486 0.115 -4.806 1.00 0.00 C ATOM 2075 C VAL A 137 -3.003 1.496 -4.383 1.00 0.00 C ATOM 2076 O VAL A 137 -3.337 2.329 -5.233 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.087 0.201 -5.474 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.130 1.093 -6.722 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.062 0.759 -4.476 1.00 0.00 C ATOM 0 H VAL A 137 -3.855 0.146 -6.389 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.373 -0.501 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.791 -0.804 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.138 1.137 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -1.837 0.679 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.446 2.098 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.916 0.816 -4.953 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.369 1.755 -4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.005 0.102 -3.608 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.147 1.689 -3.069 1.00 0.00 N ATOM 2090 CA ILE A 138 -3.717 2.932 -2.528 1.00 0.00 C ATOM 2091 C ILE A 138 -2.789 3.564 -1.489 1.00 0.00 C ATOM 2092 O ILE A 138 -2.405 2.916 -0.512 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.111 2.658 -1.883 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.053 1.951 -2.903 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -5.756 3.990 -1.442 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -5.812 0.430 -2.892 1.00 0.00 C ATOM 0 H ILE A 138 -2.879 1.006 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 138 -3.832 3.628 -3.359 1.00 0.00 H new ATOM 0 HB ILE A 138 -4.968 2.011 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.093 2.163 -2.654 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -5.878 2.346 -3.904 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -6.729 3.792 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.113 4.482 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -5.882 4.638 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -6.478 -0.049 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -4.777 0.224 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.011 0.037 -1.895 1.00 0.00 H new ATOM 2108 N VAL A 139 -2.511 4.856 -1.670 1.00 0.00 N ATOM 2109 CA VAL A 139 -1.717 5.624 -0.708 1.00 0.00 C ATOM 2110 C VAL A 139 -2.573 6.783 -0.195 1.00 0.00 C ATOM 2111 O VAL A 139 -3.080 7.583 -0.991 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.421 6.157 -1.377 1.00 0.00 C ATOM 2113 CG1 VAL A 139 0.419 6.954 -0.364 1.00 0.00 C ATOM 2114 CG2 VAL A 139 0.412 4.979 -1.902 1.00 0.00 C ATOM 0 H VAL A 139 -2.825 5.395 -2.477 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.421 4.986 0.125 1.00 0.00 H new ATOM 0 HB VAL A 139 -0.701 6.811 -2.202 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.324 7.320 -0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.162 7.799 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.691 6.308 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.321 5.356 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.677 4.323 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.170 4.420 -2.635 1.00 0.00 H new ATOM 2124 N ALA A 140 -2.777 6.834 1.129 1.00 0.00 N ATOM 2125 CA ALA A 140 -3.635 7.866 1.727 1.00 0.00 C ATOM 2126 C ALA A 140 -2.954 8.584 2.883 1.00 0.00 C ATOM 2127 O ALA A 140 -2.169 7.992 3.629 1.00 0.00 O ATOM 2128 CB ALA A 140 -4.950 7.246 2.204 1.00 0.00 C ATOM 0 H ALA A 140 -2.366 6.183 1.798 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.835 8.607 0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.578 8.020 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.469 6.797 1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -4.741 6.479 2.950 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.275 9.875 3.020 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.722 10.713 4.072 1.00 0.00 C ATOM 2136 C LYS A 141 -3.701 10.789 5.240 1.00 0.00 C ATOM 2137 O LYS A 141 -4.910 10.948 5.033 1.00 0.00 O ATOM 2138 CB LYS A 141 -2.465 12.133 3.513 1.00 0.00 C ATOM 2139 CG LYS A 141 -1.159 12.728 4.082 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.420 13.416 5.431 1.00 0.00 C ATOM 2141 CE LYS A 141 -2.092 14.767 5.203 1.00 0.00 C ATOM 2142 NZ LYS A 141 -2.237 15.471 6.509 1.00 0.00 N ATOM 0 H LYS A 141 -3.925 10.361 2.402 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.783 10.284 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.406 12.094 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -3.303 12.783 3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.418 11.939 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -0.743 13.446 3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -2.054 12.785 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.481 13.553 5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -1.499 15.370 4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.070 14.627 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -2.648 16.413 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.861 14.921 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.303 15.571 6.955 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.173 10.685 6.462 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.005 10.754 7.662 1.00 0.00 C ATOM 2158 C ALA A 142 -4.734 12.090 7.726 1.00 0.00 C ATOM 2159 O ALA A 142 -4.155 13.136 7.417 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.145 10.574 8.913 1.00 0.00 C ATOM 0 H ALA A 142 -2.178 10.553 6.645 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.741 9.951 7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -3.777 10.627 9.800 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -2.650 9.603 8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.394 11.363 8.955 1.00 0.00 H new