USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 636 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 41 LYS NZ :NH3+ 179:sc= 0.938 (180deg=0.937) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 LYS NZ :NH3+ -177:sc= 0.901 (180deg=0) USER MOD Set 2.2: A 54 THR OG1 : rot 171:sc= 0.798 USER MOD Single : A 16 ASN : amide:sc= -0.068 X(o=-0.068,f=-0.068) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 20 ASN : amide:sc= -0.675 X(o=-0.67,f=-0.67) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -175:sc= -0.0292 (180deg=-0.0705) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.546 (180deg=0.492) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0888 X(o=-0.089,f=-0.3) USER MOD Single : A 35 SER OG : rot -35:sc= 0.0368 USER MOD Single : A 44 THR OG1 : rot -46:sc= 0.0401 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -160:sc= 1.05 (180deg=0.329) USER MOD Single : A 57 ASN : amide:sc= 1.23 K(o=1.2,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0527 K(o=0.053,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 165:sc= -0.676 (180deg=-1.1) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.0267 F(o=-0.88,f=-0.027) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= -0.903 K(o=-0.9,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -158:sc= 1.23 (180deg=1.16) USER MOD Single : A 82 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.58) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 10.988 6.477 7.000 1.00 0.00 N ATOM 112 CA LYS A 9 11.110 7.728 6.245 1.00 0.00 C ATOM 113 C LYS A 9 9.883 7.749 5.354 1.00 0.00 C ATOM 114 O LYS A 9 9.590 6.770 4.654 1.00 0.00 O ATOM 115 CB LYS A 9 12.428 7.744 5.463 1.00 0.00 C ATOM 116 CG LYS A 9 12.804 9.129 4.914 1.00 0.00 C ATOM 117 CD LYS A 9 13.376 10.033 6.013 1.00 0.00 C ATOM 118 CE LYS A 9 13.820 11.378 5.431 1.00 0.00 C ATOM 119 NZ LYS A 9 14.818 12.035 6.310 1.00 0.00 N ATOM 0 HA LYS A 9 11.145 8.619 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.229 7.390 6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.356 7.041 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.537 9.018 4.115 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.924 9.599 4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.624 10.196 6.785 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.223 9.541 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.247 11.226 4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.954 12.029 5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.064 12.967 5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.417 12.154 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.673 11.446 6.365 1.00 0.00 H new ATOM 133 N LEU A 10 9.130 8.831 5.465 1.00 0.00 N ATOM 134 CA LEU A 10 7.761 8.842 4.994 1.00 0.00 C ATOM 135 C LEU A 10 7.438 10.131 4.199 1.00 0.00 C ATOM 136 O LEU A 10 7.869 11.209 4.605 1.00 0.00 O ATOM 137 CB LEU A 10 6.943 8.561 6.286 1.00 0.00 C ATOM 138 CG LEU A 10 5.685 7.756 5.991 1.00 0.00 C ATOM 139 CD1 LEU A 10 5.887 6.241 5.942 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.483 8.115 6.856 1.00 0.00 C ATOM 0 H LEU A 10 9.445 9.709 5.877 1.00 0.00 H new ATOM 0 HA LEU A 10 7.515 8.090 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.564 8.018 6.999 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.669 9.505 6.756 1.00 0.00 H new ATOM 0 HG LEU A 10 5.449 8.071 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.936 5.754 5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.606 5.995 5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.263 5.893 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.634 7.492 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.726 7.946 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.228 9.164 6.707 1.00 0.00 H new ATOM 152 N PHE A 11 6.752 10.029 3.053 1.00 0.00 N ATOM 153 CA PHE A 11 6.501 11.117 2.086 1.00 0.00 C ATOM 154 C PHE A 11 5.056 11.595 2.219 1.00 0.00 C ATOM 155 O PHE A 11 4.119 10.790 2.102 1.00 0.00 O ATOM 156 CB PHE A 11 6.688 10.614 0.634 1.00 0.00 C ATOM 157 CG PHE A 11 6.103 11.426 -0.538 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.088 12.843 -0.595 1.00 0.00 C ATOM 159 CD2 PHE A 11 5.569 10.719 -1.637 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.596 13.514 -1.728 1.00 0.00 C ATOM 161 CE2 PHE A 11 5.083 11.390 -2.772 1.00 0.00 C ATOM 162 CZ PHE A 11 5.119 12.790 -2.827 1.00 0.00 C ATOM 0 H PHE A 11 6.336 9.146 2.757 1.00 0.00 H new ATOM 0 HA PHE A 11 7.205 11.922 2.297 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.759 10.516 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.263 9.612 0.580 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.459 13.414 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 11 5.533 9.640 -1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.586 14.594 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.682 10.827 -3.602 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.781 13.307 -3.713 1.00 0.00 H new ATOM 172 N ILE A 12 4.909 12.917 2.408 1.00 0.00 N ATOM 173 CA ILE A 12 3.609 13.548 2.385 1.00 0.00 C ATOM 174 C ILE A 12 3.614 14.431 1.162 1.00 0.00 C ATOM 175 O ILE A 12 4.485 15.292 0.959 1.00 0.00 O ATOM 176 CB ILE A 12 3.306 14.311 3.686 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.484 13.432 4.641 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.486 15.602 3.506 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.984 12.005 4.879 1.00 0.00 C ATOM 0 H ILE A 12 5.685 13.557 2.577 1.00 0.00 H new ATOM 0 HA ILE A 12 2.805 12.814 2.327 1.00 0.00 H new ATOM 0 HB ILE A 12 4.292 14.571 4.072 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.432 13.937 5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.466 13.374 4.256 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.324 16.068 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.029 16.291 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.524 15.362 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.314 11.495 5.571 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.007 11.465 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.988 12.037 5.303 1.00 0.00 H new ATOM 191 N GLY A 13 2.587 14.189 0.368 1.00 0.00 N ATOM 192 CA GLY A 13 2.300 14.965 -0.801 1.00 0.00 C ATOM 193 C GLY A 13 1.118 15.872 -0.519 1.00 0.00 C ATOM 194 O GLY A 13 0.044 15.404 -0.130 1.00 0.00 O ATOM 0 H GLY A 13 1.923 13.432 0.530 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.170 15.558 -1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.078 14.309 -1.642 1.00 0.00 H new ATOM 198 N GLY A 14 1.346 17.169 -0.713 1.00 0.00 N ATOM 199 CA GLY A 14 0.218 18.132 -0.712 1.00 0.00 C ATOM 200 C GLY A 14 0.279 19.389 0.121 1.00 0.00 C ATOM 201 O GLY A 14 -0.711 20.045 0.390 1.00 0.00 O ATOM 0 H GLY A 14 2.266 17.580 -0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.058 18.439 -1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.671 17.584 -0.401 1.00 0.00 H new ATOM 205 N LEU A 15 1.485 19.697 0.529 1.00 0.00 N ATOM 206 CA LEU A 15 1.865 21.030 0.955 1.00 0.00 C ATOM 207 C LEU A 15 1.253 22.087 0.091 1.00 0.00 C ATOM 208 O LEU A 15 0.630 23.019 0.578 1.00 0.00 O ATOM 209 CB LEU A 15 3.393 21.083 0.787 1.00 0.00 C ATOM 210 CG LEU A 15 4.206 20.005 1.519 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.804 19.965 2.970 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.973 18.582 0.996 1.00 0.00 C ATOM 0 H LEU A 15 2.246 19.020 0.577 1.00 0.00 H new ATOM 0 HA LEU A 15 1.530 21.216 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.621 21.017 -0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.739 22.059 1.127 1.00 0.00 H new ATOM 0 HG LEU A 15 5.248 20.282 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.382 19.199 3.487 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.996 20.935 3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.742 19.731 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.583 17.881 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.921 18.321 1.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.249 18.532 -0.057 1.00 0.00 H new ATOM 224 N ASN A 16 1.289 21.794 -1.206 1.00 0.00 N ATOM 225 CA ASN A 16 0.595 22.491 -2.248 1.00 0.00 C ATOM 226 C ASN A 16 0.831 24.010 -2.225 1.00 0.00 C ATOM 227 O ASN A 16 0.009 24.797 -2.694 1.00 0.00 O ATOM 228 CB ASN A 16 -0.846 22.019 -2.117 1.00 0.00 C ATOM 229 CG ASN A 16 -1.752 22.420 -3.268 1.00 0.00 C ATOM 230 OD1 ASN A 16 -2.737 23.123 -3.095 1.00 0.00 O ATOM 231 ND2 ASN A 16 -1.478 21.960 -4.471 1.00 0.00 N ATOM 0 H ASN A 16 1.841 21.014 -1.563 1.00 0.00 H new ATOM 0 HA ASN A 16 0.967 22.260 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.852 20.933 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.261 22.416 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.087 22.190 -5.256 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.657 21.373 -4.618 1.00 0.00 H new ATOM 238 N ARG A 17 1.970 24.398 -1.626 1.00 0.00 N ATOM 239 CA ARG A 17 2.353 25.753 -1.223 1.00 0.00 C ATOM 240 C ARG A 17 1.317 26.426 -0.297 1.00 0.00 C ATOM 241 O ARG A 17 1.463 27.603 0.030 1.00 0.00 O ATOM 242 CB ARG A 17 2.728 26.581 -2.465 1.00 0.00 C ATOM 243 CG ARG A 17 3.997 26.114 -3.207 1.00 0.00 C ATOM 244 CD ARG A 17 4.064 24.696 -3.826 1.00 0.00 C ATOM 245 NE ARG A 17 2.857 24.189 -4.518 1.00 0.00 N ATOM 246 CZ ARG A 17 2.071 24.751 -5.420 1.00 0.00 C ATOM 247 NH1 ARG A 17 2.207 25.980 -5.826 1.00 0.00 N ATOM 248 NH2 ARG A 17 1.126 24.042 -5.969 1.00 0.00 N ATOM 0 H ARG A 17 2.697 23.720 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 17 3.244 25.690 -0.599 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.890 26.560 -3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.865 27.619 -2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.181 26.826 -4.012 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.829 26.201 -2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.890 24.679 -4.537 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.314 23.994 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 17 2.585 23.242 -4.253 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.952 26.564 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.569 26.360 -6.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.000 23.066 -5.701 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.512 24.463 -6.666 1.00 0.00 H new ATOM 262 N GLU A 18 0.298 25.693 0.168 1.00 0.00 N ATOM 263 CA GLU A 18 -0.688 26.132 1.128 1.00 0.00 C ATOM 264 C GLU A 18 -0.256 25.821 2.572 1.00 0.00 C ATOM 265 O GLU A 18 -0.166 26.740 3.391 1.00 0.00 O ATOM 266 CB GLU A 18 -1.924 25.359 0.718 1.00 0.00 C ATOM 267 CG GLU A 18 -3.135 25.712 1.537 1.00 0.00 C ATOM 268 CD GLU A 18 -3.667 27.139 1.282 1.00 0.00 C ATOM 269 OE1 GLU A 18 -4.380 27.361 0.274 1.00 0.00 O ATOM 270 OE2 GLU A 18 -3.372 28.051 2.091 1.00 0.00 O ATOM 0 H GLU A 18 0.143 24.733 -0.138 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.844 27.211 1.125 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.134 25.552 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.726 24.291 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.928 24.995 1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.889 25.610 2.594 1.00 0.00 H new ATOM 277 N THR A 19 0.054 24.548 2.875 1.00 0.00 N ATOM 278 CA THR A 19 0.382 24.132 4.266 1.00 0.00 C ATOM 279 C THR A 19 1.873 23.832 4.554 1.00 0.00 C ATOM 280 O THR A 19 2.693 23.888 3.635 1.00 0.00 O ATOM 281 CB THR A 19 -0.587 23.050 4.713 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.671 23.071 6.115 1.00 0.00 O ATOM 283 CG2 THR A 19 -0.184 21.659 4.252 1.00 0.00 C ATOM 0 H THR A 19 0.086 23.792 2.191 1.00 0.00 H new ATOM 0 HA THR A 19 0.235 25.006 4.900 1.00 0.00 H new ATOM 0 HB THR A 19 -1.552 23.266 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.295 22.378 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.917 20.933 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.142 21.634 3.163 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.797 21.411 4.658 1.00 0.00 H new ATOM 291 N ASN A 20 2.249 23.534 5.820 1.00 0.00 N ATOM 292 CA ASN A 20 3.675 23.595 6.260 1.00 0.00 C ATOM 293 C ASN A 20 4.110 22.643 7.407 1.00 0.00 C ATOM 294 O ASN A 20 3.376 21.731 7.766 1.00 0.00 O ATOM 295 CB ASN A 20 3.968 25.074 6.645 1.00 0.00 C ATOM 296 CG ASN A 20 3.869 26.057 5.488 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.761 26.166 4.659 1.00 0.00 O ATOM 298 ND2 ASN A 20 2.798 26.817 5.405 1.00 0.00 N ATOM 0 H ASN A 20 1.598 23.251 6.552 1.00 0.00 H new ATOM 0 HA ASN A 20 4.267 23.234 5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.270 25.379 7.425 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.969 25.134 7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.712 27.497 4.649 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.054 26.726 6.096 1.00 0.00 H new ATOM 305 N GLU A 21 5.311 22.863 7.989 1.00 0.00 N ATOM 306 CA GLU A 21 5.818 22.059 9.140 1.00 0.00 C ATOM 307 C GLU A 21 4.793 21.782 10.261 1.00 0.00 C ATOM 308 O GLU A 21 4.787 20.696 10.865 1.00 0.00 O ATOM 309 CB GLU A 21 7.088 22.737 9.693 1.00 0.00 C ATOM 310 CG GLU A 21 7.550 22.250 11.074 1.00 0.00 C ATOM 311 CD GLU A 21 8.915 22.858 11.448 1.00 0.00 C ATOM 312 OE1 GLU A 21 8.950 23.997 11.972 1.00 0.00 O ATOM 313 OE2 GLU A 21 9.961 22.202 11.227 1.00 0.00 O ATOM 0 H GLU A 21 5.955 23.593 7.683 1.00 0.00 H new ATOM 0 HA GLU A 21 6.042 21.066 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.900 22.582 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.911 23.811 9.746 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.809 22.522 11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.620 21.162 11.075 1.00 0.00 H new ATOM 320 N LYS A 22 3.891 22.757 10.467 1.00 0.00 N ATOM 321 CA LYS A 22 2.715 22.562 11.312 1.00 0.00 C ATOM 322 C LYS A 22 1.971 21.306 10.904 1.00 0.00 C ATOM 323 O LYS A 22 1.830 20.394 11.722 1.00 0.00 O ATOM 324 CB LYS A 22 1.812 23.794 11.194 1.00 0.00 C ATOM 325 CG LYS A 22 0.528 23.620 12.019 1.00 0.00 C ATOM 326 CD LYS A 22 0.696 23.696 13.541 1.00 0.00 C ATOM 327 CE LYS A 22 1.136 25.084 14.008 1.00 0.00 C ATOM 328 NZ LYS A 22 0.037 26.086 13.943 1.00 0.00 N ATOM 0 H LYS A 22 3.960 23.688 10.056 1.00 0.00 H new ATOM 0 HA LYS A 22 3.024 22.440 12.350 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.351 24.678 11.536 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.556 23.962 10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.185 24.386 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.086 22.655 11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.247 23.435 14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.431 22.958 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.503 25.019 15.032 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.969 25.423 13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.389 27.009 14.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.298 26.171 12.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.749 25.779 14.551 1.00 0.00 H new ATOM 342 N MET A 23 1.444 21.292 9.674 1.00 0.00 N ATOM 343 CA MET A 23 0.792 20.116 9.204 1.00 0.00 C ATOM 344 C MET A 23 1.692 18.890 9.265 1.00 0.00 C ATOM 345 O MET A 23 1.201 17.803 9.474 1.00 0.00 O ATOM 346 CB MET A 23 0.258 20.379 7.835 1.00 0.00 C ATOM 347 CG MET A 23 1.031 19.764 6.704 1.00 0.00 C ATOM 348 SD MET A 23 1.321 18.005 6.381 1.00 0.00 S ATOM 349 CE MET A 23 0.245 18.008 4.945 1.00 0.00 C ATOM 0 H MET A 23 1.466 22.073 9.018 1.00 0.00 H new ATOM 0 HA MET A 23 -0.042 19.879 9.864 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.768 20.015 7.789 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.221 21.457 7.681 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.562 20.146 5.797 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.024 20.210 6.762 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.149 16.993 4.560 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.738 18.384 5.228 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.670 18.650 4.173 1.00 0.00 H new ATOM 359 N LEU A 24 2.990 19.020 8.987 1.00 0.00 N ATOM 360 CA LEU A 24 3.885 17.861 8.974 1.00 0.00 C ATOM 361 C LEU A 24 3.798 17.123 10.316 1.00 0.00 C ATOM 362 O LEU A 24 3.273 16.009 10.383 1.00 0.00 O ATOM 363 CB LEU A 24 5.314 18.258 8.603 1.00 0.00 C ATOM 364 CG LEU A 24 5.602 18.230 7.096 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.132 19.483 6.384 1.00 0.00 C ATOM 366 CD2 LEU A 24 7.104 18.098 6.894 1.00 0.00 C ATOM 0 H LEU A 24 3.443 19.908 8.770 1.00 0.00 H new ATOM 0 HA LEU A 24 3.561 17.169 8.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.510 19.261 8.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.009 17.586 9.107 1.00 0.00 H new ATOM 0 HG LEU A 24 5.057 17.386 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.363 19.406 5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.056 19.594 6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.640 20.352 6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.327 18.076 5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.609 18.948 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.454 17.175 7.356 1.00 0.00 H new ATOM 378 N LYS A 25 4.186 17.765 11.421 1.00 0.00 N ATOM 379 CA LYS A 25 4.008 17.180 12.751 1.00 0.00 C ATOM 380 C LYS A 25 2.572 16.783 13.042 1.00 0.00 C ATOM 381 O LYS A 25 2.377 15.763 13.690 1.00 0.00 O ATOM 382 CB LYS A 25 4.528 18.121 13.824 1.00 0.00 C ATOM 383 CG LYS A 25 6.066 18.255 13.723 1.00 0.00 C ATOM 384 CD LYS A 25 6.805 17.788 14.982 1.00 0.00 C ATOM 385 CE LYS A 25 6.871 16.253 15.103 1.00 0.00 C ATOM 386 NZ LYS A 25 7.352 15.808 16.442 1.00 0.00 N ATOM 0 H LYS A 25 4.624 18.686 11.421 1.00 0.00 H new ATOM 0 HA LYS A 25 4.593 16.260 12.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.063 19.101 13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.253 17.746 14.810 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.418 17.676 12.869 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.320 19.297 13.528 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.818 18.191 14.973 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.307 18.196 15.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.882 15.834 14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.534 15.859 14.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.204 14.783 16.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.365 16.022 16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.823 16.308 17.185 1.00 0.00 H new ATOM 400 N ALA A 26 1.594 17.537 12.547 1.00 0.00 N ATOM 401 CA ALA A 26 0.198 17.129 12.608 1.00 0.00 C ATOM 402 C ALA A 26 -0.051 15.727 11.972 1.00 0.00 C ATOM 403 O ALA A 26 -0.148 14.700 12.651 1.00 0.00 O ATOM 404 CB ALA A 26 -0.656 18.254 11.967 1.00 0.00 C ATOM 0 H ALA A 26 1.747 18.439 12.097 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.102 17.001 13.648 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.709 17.974 11.999 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.510 19.182 12.520 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.350 18.397 10.931 1.00 0.00 H new ATOM 410 N VAL A 27 -0.078 15.737 10.638 1.00 0.00 N ATOM 411 CA VAL A 27 -0.450 14.574 9.825 1.00 0.00 C ATOM 412 C VAL A 27 0.352 13.349 10.176 1.00 0.00 C ATOM 413 O VAL A 27 -0.191 12.283 10.428 1.00 0.00 O ATOM 414 CB VAL A 27 -0.168 14.921 8.339 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.246 13.787 7.323 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.099 15.993 7.853 1.00 0.00 C ATOM 0 H VAL A 27 0.160 16.560 10.085 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.501 14.354 10.010 1.00 0.00 H new ATOM 0 HB VAL A 27 0.876 15.231 8.379 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.027 14.174 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.481 13.017 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.248 13.358 7.333 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.881 16.218 6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.129 15.648 7.942 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.964 16.892 8.454 1.00 0.00 H new ATOM 426 N PHE A 28 1.666 13.471 10.120 1.00 0.00 N ATOM 427 CA PHE A 28 2.538 12.416 10.576 1.00 0.00 C ATOM 428 C PHE A 28 2.402 12.044 12.052 1.00 0.00 C ATOM 429 O PHE A 28 2.307 10.865 12.396 1.00 0.00 O ATOM 430 CB PHE A 28 3.942 12.813 10.176 1.00 0.00 C ATOM 431 CG PHE A 28 4.256 12.938 8.689 1.00 0.00 C ATOM 432 CD1 PHE A 28 4.062 14.150 7.998 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.918 11.896 8.027 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.700 14.395 6.776 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.522 12.126 6.781 1.00 0.00 C ATOM 436 CZ PHE A 28 5.479 13.394 6.185 1.00 0.00 C ATOM 0 H PHE A 28 2.149 14.295 9.761 1.00 0.00 H new ATOM 0 HA PHE A 28 2.246 11.482 10.096 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.164 13.771 10.646 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.629 12.082 10.602 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.411 14.902 8.418 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.964 10.915 8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.591 15.354 6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.026 11.316 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.039 13.595 5.283 1.00 0.00 H new ATOM 446 N GLY A 29 2.418 13.033 12.948 1.00 0.00 N ATOM 447 CA GLY A 29 2.152 12.779 14.360 1.00 0.00 C ATOM 448 C GLY A 29 0.835 12.092 14.666 1.00 0.00 C ATOM 449 O GLY A 29 0.663 11.605 15.787 1.00 0.00 O ATOM 0 H GLY A 29 2.611 14.009 12.721 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.961 12.168 14.759 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.178 13.730 14.893 1.00 0.00 H new ATOM 453 N LYS A 30 -0.088 12.050 13.694 1.00 0.00 N ATOM 454 CA LYS A 30 -1.386 11.362 13.873 1.00 0.00 C ATOM 455 C LYS A 30 -1.318 9.942 14.425 1.00 0.00 C ATOM 456 O LYS A 30 -2.311 9.443 14.958 1.00 0.00 O ATOM 457 CB LYS A 30 -2.139 11.262 12.555 1.00 0.00 C ATOM 458 CG LYS A 30 -2.705 12.625 12.148 1.00 0.00 C ATOM 459 CD LYS A 30 -4.072 12.839 12.791 1.00 0.00 C ATOM 460 CE LYS A 30 -4.639 14.206 12.393 1.00 0.00 C ATOM 461 NZ LYS A 30 -5.863 14.539 13.170 1.00 0.00 N ATOM 0 H LYS A 30 0.034 12.481 12.778 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.889 11.989 14.610 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.471 10.893 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.950 10.539 12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.022 13.417 12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.792 12.682 11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.756 12.049 12.479 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.985 12.776 13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.884 14.975 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.872 14.208 11.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.219 15.470 12.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.592 13.818 12.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.635 14.562 14.184 1.00 0.00 H new ATOM 475 N HIS A 31 -0.159 9.307 14.283 1.00 0.00 N ATOM 476 CA HIS A 31 0.090 8.019 14.913 1.00 0.00 C ATOM 477 C HIS A 31 1.555 7.749 15.339 1.00 0.00 C ATOM 478 O HIS A 31 1.908 6.586 15.558 1.00 0.00 O ATOM 479 CB HIS A 31 -0.493 6.897 14.028 1.00 0.00 C ATOM 480 CG HIS A 31 -1.301 5.870 14.792 1.00 0.00 C ATOM 481 ND1 HIS A 31 -1.236 5.595 16.142 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.268 5.053 14.267 1.00 0.00 C ATOM 483 CE1 HIS A 31 -2.146 4.648 16.425 1.00 0.00 C ATOM 484 NE2 HIS A 31 -2.805 4.284 15.310 1.00 0.00 N ATOM 0 H HIS A 31 0.623 9.666 13.735 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.430 8.040 15.871 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.125 7.344 13.261 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.324 6.392 13.513 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.565 5.009 13.230 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.323 4.237 17.408 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.547 3.588 15.238 1.00 0.00 H new ATOM 492 N GLY A 32 2.435 8.758 15.466 1.00 0.00 N ATOM 493 CA GLY A 32 3.822 8.528 15.843 1.00 0.00 C ATOM 494 C GLY A 32 4.561 9.748 16.422 1.00 0.00 C ATOM 495 O GLY A 32 3.994 10.836 16.538 1.00 0.00 O ATOM 0 H GLY A 32 2.200 9.738 15.311 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.852 7.724 16.578 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.366 8.178 14.966 1.00 0.00 H new ATOM 499 N PRO A 33 5.834 9.550 16.802 1.00 0.00 N ATOM 500 CA PRO A 33 6.688 10.527 17.475 1.00 0.00 C ATOM 501 C PRO A 33 7.260 11.626 16.556 1.00 0.00 C ATOM 502 O PRO A 33 6.990 12.812 16.770 1.00 0.00 O ATOM 503 CB PRO A 33 7.825 9.684 18.084 1.00 0.00 C ATOM 504 CG PRO A 33 7.890 8.423 17.214 1.00 0.00 C ATOM 505 CD PRO A 33 6.445 8.241 16.781 1.00 0.00 C ATOM 0 HA PRO A 33 6.106 11.085 18.208 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.771 10.225 18.067 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.619 9.436 19.125 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.555 8.554 16.360 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.256 7.563 17.774 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.393 7.806 15.783 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.923 7.560 17.453 1.00 0.00 H new ATOM 513 N ILE A 34 8.116 11.210 15.605 1.00 0.00 N ATOM 514 CA ILE A 34 8.725 12.122 14.617 1.00 0.00 C ATOM 515 C ILE A 34 10.059 12.683 15.155 1.00 0.00 C ATOM 516 O ILE A 34 10.071 13.541 16.040 1.00 0.00 O ATOM 517 CB ILE A 34 7.776 13.098 13.876 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.750 12.395 12.980 1.00 0.00 C ATOM 519 CG2 ILE A 34 8.633 14.033 13.006 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.572 11.851 13.778 1.00 0.00 C ATOM 0 H ILE A 34 8.405 10.237 15.499 1.00 0.00 H new ATOM 0 HA ILE A 34 8.984 11.518 13.748 1.00 0.00 H new ATOM 0 HB ILE A 34 7.211 13.640 14.635 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.386 13.095 12.228 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.235 11.577 12.446 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.985 14.730 12.474 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.322 14.590 13.641 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.199 13.442 12.286 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.870 11.361 13.103 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.932 11.130 14.513 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.070 12.671 14.290 1.00 0.00 H new ATOM 532 N SER A 35 11.176 12.162 14.642 1.00 0.00 N ATOM 533 CA SER A 35 12.558 12.497 15.004 1.00 0.00 C ATOM 534 C SER A 35 13.220 13.422 13.976 1.00 0.00 C ATOM 535 O SER A 35 14.286 13.967 14.263 1.00 0.00 O ATOM 536 CB SER A 35 13.379 11.203 15.104 1.00 0.00 C ATOM 537 OG SER A 35 14.582 11.392 15.832 1.00 0.00 O ATOM 0 H SER A 35 11.138 11.448 13.915 1.00 0.00 H new ATOM 0 HA SER A 35 12.530 13.021 15.959 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.781 10.430 15.587 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.614 10.844 14.102 1.00 0.00 H new ATOM 0 HG SER A 35 14.932 12.291 15.658 1.00 0.00 H new ATOM 543 N GLU A 36 12.617 13.626 12.795 1.00 0.00 N ATOM 544 CA GLU A 36 13.102 14.649 11.851 1.00 0.00 C ATOM 545 C GLU A 36 12.033 15.101 10.849 1.00 0.00 C ATOM 546 O GLU A 36 11.147 14.323 10.504 1.00 0.00 O ATOM 547 CB GLU A 36 14.368 14.173 11.094 1.00 0.00 C ATOM 548 CG GLU A 36 15.605 15.059 11.314 1.00 0.00 C ATOM 549 CD GLU A 36 15.463 16.460 10.689 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.710 17.295 11.244 1.00 0.00 O ATOM 551 OE2 GLU A 36 16.112 16.733 9.651 1.00 0.00 O ATOM 0 H GLU A 36 11.802 13.104 12.472 1.00 0.00 H new ATOM 0 HA GLU A 36 13.358 15.513 12.464 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.603 13.156 11.407 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.147 14.135 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.786 15.162 12.384 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.479 14.565 10.889 1.00 0.00 H new ATOM 558 N VAL A 37 12.146 16.339 10.355 1.00 0.00 N ATOM 559 CA VAL A 37 11.136 17.051 9.550 1.00 0.00 C ATOM 560 C VAL A 37 11.800 17.742 8.347 1.00 0.00 C ATOM 561 O VAL A 37 12.771 18.485 8.510 1.00 0.00 O ATOM 562 CB VAL A 37 10.408 18.105 10.420 1.00 0.00 C ATOM 563 CG1 VAL A 37 9.266 18.785 9.654 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.794 17.512 11.699 1.00 0.00 C ATOM 0 H VAL A 37 12.982 16.902 10.511 1.00 0.00 H new ATOM 0 HA VAL A 37 10.410 16.324 9.185 1.00 0.00 H new ATOM 0 HB VAL A 37 11.184 18.823 10.684 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.781 19.517 10.299 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.667 19.286 8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.538 18.035 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 37 9.299 18.301 12.265 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.066 16.746 11.432 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.581 17.068 12.309 1.00 0.00 H new ATOM 574 N LEU A 38 11.267 17.522 7.138 1.00 0.00 N ATOM 575 CA LEU A 38 11.807 18.014 5.864 1.00 0.00 C ATOM 576 C LEU A 38 10.723 18.600 4.952 1.00 0.00 C ATOM 577 O LEU A 38 9.684 17.972 4.735 1.00 0.00 O ATOM 578 CB LEU A 38 12.475 16.858 5.099 1.00 0.00 C ATOM 579 CG LEU A 38 13.344 17.285 3.904 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.579 18.054 4.325 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.907 16.067 3.196 1.00 0.00 C ATOM 0 H LEU A 38 10.415 16.975 7.016 1.00 0.00 H new ATOM 0 HA LEU A 38 12.521 18.799 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.094 16.292 5.795 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.698 16.183 4.741 1.00 0.00 H new ATOM 0 HG LEU A 38 12.686 17.891 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.155 18.330 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.281 18.956 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 38 15.191 17.431 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.519 16.387 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.519 15.492 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.088 15.445 2.834 1.00 0.00 H new ATOM 593 N LEU A 39 11.024 19.757 4.358 1.00 0.00 N ATOM 594 CA LEU A 39 10.257 20.365 3.270 1.00 0.00 C ATOM 595 C LEU A 39 11.185 20.443 2.048 1.00 0.00 C ATOM 596 O LEU A 39 12.347 20.839 2.168 1.00 0.00 O ATOM 597 CB LEU A 39 9.722 21.768 3.641 1.00 0.00 C ATOM 598 CG LEU A 39 8.427 21.882 4.469 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.235 21.207 3.787 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.564 21.345 5.892 1.00 0.00 C ATOM 0 H LEU A 39 11.834 20.314 4.630 1.00 0.00 H new ATOM 0 HA LEU A 39 9.378 19.756 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.509 22.285 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.567 22.317 2.712 1.00 0.00 H new ATOM 0 HG LEU A 39 8.240 22.954 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.349 21.316 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.057 21.675 2.819 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.450 20.148 3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.615 21.457 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.837 20.290 5.858 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.338 21.904 6.419 1.00 0.00 H new ATOM 612 N ILE A 40 10.662 20.061 0.884 1.00 0.00 N ATOM 613 CA ILE A 40 11.479 19.859 -0.302 1.00 0.00 C ATOM 614 C ILE A 40 11.260 21.032 -1.252 1.00 0.00 C ATOM 615 O ILE A 40 10.082 21.388 -1.479 1.00 0.00 O ATOM 616 CB ILE A 40 11.066 18.541 -0.978 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.319 17.284 -0.109 1.00 0.00 C ATOM 618 CG2 ILE A 40 11.747 18.463 -2.350 1.00 0.00 C ATOM 619 CD1 ILE A 40 12.772 16.970 0.209 1.00 0.00 C ATOM 0 H ILE A 40 9.668 19.885 0.741 1.00 0.00 H new ATOM 0 HA ILE A 40 12.534 19.804 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 40 9.984 18.548 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.780 17.403 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.886 16.423 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.465 17.533 -2.844 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.432 19.309 -2.961 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.829 18.491 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.824 16.070 0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 40 13.321 16.809 -0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.214 17.805 0.752 1.00 0.00 H new ATOM 631 N LYS A 41 12.447 21.500 -1.726 1.00 0.00 N ATOM 632 CA LYS A 41 12.592 22.734 -2.540 1.00 0.00 C ATOM 633 C LYS A 41 13.711 22.527 -3.620 1.00 0.00 C ATOM 634 O LYS A 41 13.913 21.415 -4.096 1.00 0.00 O ATOM 635 CB LYS A 41 12.929 23.915 -1.591 1.00 0.00 C ATOM 636 CG LYS A 41 11.916 24.086 -0.449 1.00 0.00 C ATOM 637 CD LYS A 41 12.135 25.368 0.362 1.00 0.00 C ATOM 638 CE LYS A 41 11.041 25.514 1.431 1.00 0.00 C ATOM 639 NZ LYS A 41 9.749 25.973 0.845 1.00 0.00 N ATOM 0 H LYS A 41 13.334 21.027 -1.552 1.00 0.00 H new ATOM 0 HA LYS A 41 11.664 22.959 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.921 23.759 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.971 24.837 -2.171 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.908 24.093 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.980 23.226 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.116 25.344 0.836 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.123 26.233 -0.301 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.893 24.557 1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.368 26.224 2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.033 26.043 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.880 26.906 0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.432 25.291 0.126 1.00 0.00 H new ATOM 653 N ASP A 42 14.442 23.583 -3.997 1.00 0.00 N ATOM 654 CA ASP A 42 15.575 23.701 -4.965 1.00 0.00 C ATOM 655 C ASP A 42 16.462 24.899 -4.501 1.00 0.00 C ATOM 656 O ASP A 42 15.950 25.696 -3.725 1.00 0.00 O ATOM 657 CB ASP A 42 15.055 23.931 -6.378 1.00 0.00 C ATOM 658 CG ASP A 42 16.223 24.129 -7.346 1.00 0.00 C ATOM 659 OD1 ASP A 42 16.800 23.127 -7.813 1.00 0.00 O ATOM 660 OD2 ASP A 42 16.619 25.286 -7.579 1.00 0.00 O ATOM 0 H ASP A 42 14.240 24.495 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 42 16.158 22.780 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.452 23.080 -6.694 1.00 0.00 H new ATOM 0 HB3 ASP A 42 14.406 24.806 -6.396 1.00 0.00 H new ATOM 665 N ARG A 43 17.725 25.105 -4.928 1.00 0.00 N ATOM 666 CA ARG A 43 18.669 26.243 -4.658 1.00 0.00 C ATOM 667 C ARG A 43 19.005 26.515 -3.191 1.00 0.00 C ATOM 668 O ARG A 43 19.996 27.199 -2.977 1.00 0.00 O ATOM 669 CB ARG A 43 18.045 27.551 -5.239 1.00 0.00 C ATOM 670 CG ARG A 43 18.829 28.901 -5.246 1.00 0.00 C ATOM 671 CD ARG A 43 17.969 30.195 -5.311 1.00 0.00 C ATOM 672 NE ARG A 43 17.065 30.377 -4.157 1.00 0.00 N ATOM 673 CZ ARG A 43 17.312 31.054 -3.049 1.00 0.00 C ATOM 674 NH1 ARG A 43 18.500 31.409 -2.661 1.00 0.00 N ATOM 675 NH2 ARG A 43 16.348 31.421 -2.268 1.00 0.00 N ATOM 0 H ARG A 43 18.168 24.415 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 43 19.605 25.944 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.772 27.339 -6.273 1.00 0.00 H new ATOM 0 HB3 ARG A 43 17.117 27.727 -4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.445 28.944 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.508 28.898 -6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.633 31.057 -5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.375 30.178 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 43 16.150 29.931 -4.222 1.00 0.00 H new ATOM 0 HH11 ARG A 43 19.315 31.165 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.618 31.931 -1.793 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.383 31.188 -2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.553 31.943 -1.416 1.00 0.00 H new ATOM 689 N THR A 44 18.339 25.817 -2.261 1.00 0.00 N ATOM 690 CA THR A 44 18.275 26.246 -0.830 1.00 0.00 C ATOM 691 C THR A 44 17.047 27.164 -0.579 1.00 0.00 C ATOM 692 O THR A 44 16.829 27.551 0.567 1.00 0.00 O ATOM 693 CB THR A 44 19.554 26.893 -0.247 1.00 0.00 C ATOM 694 OG1 THR A 44 19.626 26.626 1.139 1.00 0.00 O ATOM 695 CG2 THR A 44 19.625 28.417 -0.462 1.00 0.00 C ATOM 0 H THR A 44 17.834 24.953 -2.459 1.00 0.00 H new ATOM 0 HA THR A 44 18.172 25.307 -0.286 1.00 0.00 H new ATOM 0 HB THR A 44 20.395 26.452 -0.782 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.753 26.795 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.547 28.803 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 44 19.607 28.635 -1.530 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.771 28.893 0.020 1.00 0.00 H new ATOM 703 N SER A 45 16.281 27.411 -1.668 1.00 0.00 N ATOM 704 CA SER A 45 14.924 28.016 -1.613 1.00 0.00 C ATOM 705 C SER A 45 14.475 28.729 -2.925 1.00 0.00 C ATOM 706 O SER A 45 14.030 29.878 -2.921 1.00 0.00 O ATOM 707 CB SER A 45 14.506 28.724 -0.309 1.00 0.00 C ATOM 708 OG SER A 45 13.139 29.101 -0.314 1.00 0.00 O ATOM 0 H SER A 45 16.587 27.195 -2.617 1.00 0.00 H new ATOM 0 HA SER A 45 14.303 27.122 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.695 28.063 0.537 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.124 29.610 -0.165 1.00 0.00 H new ATOM 0 HG SER A 45 12.919 29.544 0.532 1.00 0.00 H new ATOM 714 N LYS A 46 14.687 28.098 -4.101 1.00 0.00 N ATOM 715 CA LYS A 46 13.963 28.473 -5.361 1.00 0.00 C ATOM 716 C LYS A 46 12.423 28.445 -5.043 1.00 0.00 C ATOM 717 O LYS A 46 11.688 29.334 -5.466 1.00 0.00 O ATOM 718 CB LYS A 46 14.413 27.532 -6.522 1.00 0.00 C ATOM 719 CG LYS A 46 14.694 28.100 -7.946 1.00 0.00 C ATOM 720 CD LYS A 46 16.143 28.477 -8.382 1.00 0.00 C ATOM 721 CE LYS A 46 16.886 27.527 -9.391 1.00 0.00 C ATOM 722 NZ LYS A 46 18.189 27.012 -8.904 1.00 0.00 N ATOM 0 H LYS A 46 15.348 27.329 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 46 14.204 29.479 -5.705 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.322 27.029 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.646 26.765 -6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.324 27.366 -8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.082 28.994 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.109 29.472 -8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.753 28.550 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.237 26.681 -9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.048 28.065 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.759 26.690 -9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.696 27.769 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.027 26.215 -8.256 1.00 0.00 H new ATOM 736 N SER A 47 12.031 27.476 -4.180 1.00 0.00 N ATOM 737 CA SER A 47 10.763 27.522 -3.422 1.00 0.00 C ATOM 738 C SER A 47 9.476 26.880 -3.955 1.00 0.00 C ATOM 739 O SER A 47 8.668 27.500 -4.649 1.00 0.00 O ATOM 740 CB SER A 47 10.488 28.884 -2.769 1.00 0.00 C ATOM 741 OG SER A 47 9.718 28.674 -1.593 1.00 0.00 O ATOM 0 H SER A 47 12.587 26.642 -3.992 1.00 0.00 H new ATOM 0 HA SER A 47 11.037 26.774 -2.678 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.426 29.382 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.953 29.534 -3.461 1.00 0.00 H new ATOM 0 HG SER A 47 9.536 29.536 -1.163 1.00 0.00 H new ATOM 747 N ARG A 48 9.306 25.599 -3.575 1.00 0.00 N ATOM 748 CA ARG A 48 8.091 24.788 -3.629 1.00 0.00 C ATOM 749 C ARG A 48 7.913 24.084 -2.271 1.00 0.00 C ATOM 750 O ARG A 48 8.561 24.460 -1.291 1.00 0.00 O ATOM 751 CB ARG A 48 8.058 23.903 -4.858 1.00 0.00 C ATOM 752 CG ARG A 48 9.085 22.803 -4.772 1.00 0.00 C ATOM 753 CD ARG A 48 8.975 22.014 -6.050 1.00 0.00 C ATOM 754 NE ARG A 48 7.851 21.071 -6.048 1.00 0.00 N ATOM 755 CZ ARG A 48 7.720 19.920 -6.673 1.00 0.00 C ATOM 756 NH1 ARG A 48 8.681 19.322 -7.312 1.00 0.00 N ATOM 757 NH2 ARG A 48 6.567 19.335 -6.652 1.00 0.00 N ATOM 0 H ARG A 48 10.087 25.067 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 48 7.206 25.409 -3.766 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.065 23.468 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.242 24.506 -5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.087 23.216 -4.656 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.900 22.167 -3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.862 22.703 -6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.902 21.465 -6.212 1.00 0.00 H new ATOM 0 HE ARG A 48 7.052 21.349 -5.477 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.608 19.745 -7.351 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.508 18.430 -7.775 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.785 19.766 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.439 18.442 -7.129 1.00 0.00 H new ATOM 771 N GLY A 49 6.973 23.156 -2.174 1.00 0.00 N ATOM 772 CA GLY A 49 6.728 22.352 -0.971 1.00 0.00 C ATOM 773 C GLY A 49 6.487 20.856 -1.177 1.00 0.00 C ATOM 774 O GLY A 49 5.427 20.504 -1.688 1.00 0.00 O ATOM 0 H GLY A 49 6.342 22.931 -2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.582 22.470 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.862 22.767 -0.456 1.00 0.00 H new ATOM 778 N PHE A 50 7.408 19.964 -0.804 1.00 0.00 N ATOM 779 CA PHE A 50 7.069 18.509 -0.604 1.00 0.00 C ATOM 780 C PHE A 50 7.646 17.864 0.658 1.00 0.00 C ATOM 781 O PHE A 50 8.670 18.319 1.117 1.00 0.00 O ATOM 782 CB PHE A 50 6.888 17.679 -1.850 1.00 0.00 C ATOM 783 CG PHE A 50 8.049 17.228 -2.635 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.555 18.059 -3.640 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.484 15.917 -2.469 1.00 0.00 C ATOM 786 CE1 PHE A 50 9.586 17.588 -4.464 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.576 15.481 -3.229 1.00 0.00 C ATOM 788 CZ PHE A 50 10.115 16.304 -4.233 1.00 0.00 C ATOM 0 H PHE A 50 8.386 20.195 -0.631 1.00 0.00 H new ATOM 0 HA PHE A 50 6.019 18.523 -0.312 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.331 16.787 -1.562 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.249 18.250 -2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.155 19.053 -3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.993 15.254 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 50 9.970 18.202 -5.266 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.006 14.508 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.941 15.949 -4.831 1.00 0.00 H new ATOM 798 N ALA A 51 6.965 16.960 1.362 1.00 0.00 N ATOM 799 CA ALA A 51 7.355 16.601 2.729 1.00 0.00 C ATOM 800 C ALA A 51 7.912 15.225 2.925 1.00 0.00 C ATOM 801 O ALA A 51 7.385 14.235 2.430 1.00 0.00 O ATOM 802 CB ALA A 51 6.195 16.880 3.676 1.00 0.00 C ATOM 0 H ALA A 51 6.145 16.464 1.013 1.00 0.00 H new ATOM 0 HA ALA A 51 8.207 17.239 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.483 16.614 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.940 17.939 3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.331 16.287 3.377 1.00 0.00 H new ATOM 808 N PHE A 52 8.991 15.217 3.700 1.00 0.00 N ATOM 809 CA PHE A 52 9.571 14.013 4.224 1.00 0.00 C ATOM 810 C PHE A 52 9.643 14.086 5.754 1.00 0.00 C ATOM 811 O PHE A 52 10.043 15.111 6.303 1.00 0.00 O ATOM 812 CB PHE A 52 10.890 13.727 3.569 1.00 0.00 C ATOM 813 CG PHE A 52 10.702 13.207 2.172 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.446 11.850 1.911 1.00 0.00 C ATOM 815 CD2 PHE A 52 10.683 14.141 1.138 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.170 11.443 0.595 1.00 0.00 C ATOM 817 CE2 PHE A 52 10.413 13.730 -0.173 1.00 0.00 C ATOM 818 CZ PHE A 52 10.136 12.385 -0.444 1.00 0.00 C ATOM 0 H PHE A 52 9.485 16.065 3.978 1.00 0.00 H new ATOM 0 HA PHE A 52 8.933 13.163 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.491 14.636 3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.442 12.996 4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.461 11.128 2.714 1.00 0.00 H new ATOM 0 HD2 PHE A 52 10.877 15.183 1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 52 9.983 10.401 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.418 14.452 -0.976 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.897 12.073 -1.450 1.00 0.00 H new ATOM 828 N ILE A 53 9.265 13.024 6.462 1.00 0.00 N ATOM 829 CA ILE A 53 9.383 12.962 7.929 1.00 0.00 C ATOM 830 C ILE A 53 10.030 11.643 8.344 1.00 0.00 C ATOM 831 O ILE A 53 9.744 10.583 7.779 1.00 0.00 O ATOM 832 CB ILE A 53 8.061 13.315 8.654 1.00 0.00 C ATOM 833 CG1 ILE A 53 8.085 14.719 9.292 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.667 12.248 9.682 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.749 15.225 9.852 1.00 0.00 C ATOM 0 H ILE A 53 8.869 12.182 6.043 1.00 0.00 H new ATOM 0 HA ILE A 53 10.058 13.748 8.268 1.00 0.00 H new ATOM 0 HB ILE A 53 7.293 13.332 7.881 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.818 14.717 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.436 15.430 8.544 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.734 12.536 10.166 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.534 11.290 9.179 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.453 12.158 10.432 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.885 16.220 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.012 15.269 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.399 14.545 10.629 1.00 0.00 H new ATOM 847 N THR A 54 10.968 11.743 9.283 1.00 0.00 N ATOM 848 CA THR A 54 11.695 10.604 9.846 1.00 0.00 C ATOM 849 C THR A 54 11.144 10.326 11.237 1.00 0.00 C ATOM 850 O THR A 54 11.038 11.240 12.061 1.00 0.00 O ATOM 851 CB THR A 54 13.203 10.876 9.958 1.00 0.00 C ATOM 852 OG1 THR A 54 13.659 11.664 8.877 1.00 0.00 O ATOM 853 CG2 THR A 54 14.015 9.585 9.947 1.00 0.00 C ATOM 0 H THR A 54 11.251 12.637 9.684 1.00 0.00 H new ATOM 0 HA THR A 54 11.559 9.751 9.181 1.00 0.00 H new ATOM 0 HB THR A 54 13.345 11.398 10.904 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.583 11.945 9.044 1.00 0.00 H new ATOM 0 HG21 THR A 54 15.076 9.822 10.028 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.717 8.961 10.789 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.833 9.049 9.016 1.00 0.00 H new ATOM 861 N PHE A 55 10.785 9.066 11.482 1.00 0.00 N ATOM 862 CA PHE A 55 10.125 8.566 12.692 1.00 0.00 C ATOM 863 C PHE A 55 11.110 7.790 13.583 1.00 0.00 C ATOM 864 O PHE A 55 11.815 6.909 13.087 1.00 0.00 O ATOM 865 CB PHE A 55 8.992 7.621 12.260 1.00 0.00 C ATOM 866 CG PHE A 55 7.734 8.286 11.743 1.00 0.00 C ATOM 867 CD1 PHE A 55 6.728 8.653 12.657 1.00 0.00 C ATOM 868 CD2 PHE A 55 7.519 8.471 10.363 1.00 0.00 C ATOM 869 CE1 PHE A 55 5.505 9.163 12.199 1.00 0.00 C ATOM 870 CE2 PHE A 55 6.318 9.040 9.920 1.00 0.00 C ATOM 871 CZ PHE A 55 5.307 9.378 10.829 1.00 0.00 C ATOM 0 H PHE A 55 10.956 8.323 10.804 1.00 0.00 H new ATOM 0 HA PHE A 55 9.741 9.411 13.264 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.374 6.959 11.483 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.724 6.994 13.111 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.899 8.541 13.717 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.276 8.176 9.651 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.717 9.390 12.901 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.170 9.220 8.866 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.379 9.802 10.475 1.00 0.00 H new ATOM 881 N GLU A 56 11.111 8.078 14.895 1.00 0.00 N ATOM 882 CA GLU A 56 11.871 7.278 15.883 1.00 0.00 C ATOM 883 C GLU A 56 11.800 5.737 15.702 1.00 0.00 C ATOM 884 O GLU A 56 12.810 5.066 15.937 1.00 0.00 O ATOM 885 CB GLU A 56 11.452 7.638 17.323 1.00 0.00 C ATOM 886 CG GLU A 56 11.603 9.128 17.684 1.00 0.00 C ATOM 887 CD GLU A 56 11.313 9.445 19.173 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.825 8.570 19.931 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.579 10.595 19.602 1.00 0.00 O ATOM 0 H GLU A 56 10.595 8.859 15.301 1.00 0.00 H new ATOM 0 HA GLU A 56 12.909 7.551 15.695 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.412 7.347 17.468 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.048 7.047 18.019 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.617 9.449 17.445 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.928 9.713 17.060 1.00 0.00 H new ATOM 896 N ASN A 57 10.668 5.175 15.236 1.00 0.00 N ATOM 897 CA ASN A 57 10.607 3.765 14.803 1.00 0.00 C ATOM 898 C ASN A 57 9.936 3.629 13.417 1.00 0.00 C ATOM 899 O ASN A 57 9.024 4.393 13.090 1.00 0.00 O ATOM 900 CB ASN A 57 9.858 2.898 15.834 1.00 0.00 C ATOM 901 CG ASN A 57 10.276 3.108 17.279 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.263 2.563 17.754 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.517 3.868 18.029 1.00 0.00 N ATOM 0 H ASN A 57 9.783 5.676 15.150 1.00 0.00 H new ATOM 0 HA ASN A 57 11.634 3.409 14.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.790 3.100 15.748 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.005 1.849 15.578 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.748 4.007 19.013 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.695 4.321 17.629 1.00 0.00 H new ATOM 910 N PRO A 58 10.306 2.601 12.627 1.00 0.00 N ATOM 911 CA PRO A 58 9.706 2.299 11.317 1.00 0.00 C ATOM 912 C PRO A 58 8.213 1.970 11.450 1.00 0.00 C ATOM 913 O PRO A 58 7.373 2.449 10.672 1.00 0.00 O ATOM 914 CB PRO A 58 10.527 1.118 10.776 1.00 0.00 C ATOM 915 CG PRO A 58 11.100 0.451 12.024 1.00 0.00 C ATOM 916 CD PRO A 58 11.305 1.608 12.983 1.00 0.00 C ATOM 0 HA PRO A 58 9.740 3.149 10.635 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.904 0.428 10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.318 1.457 10.108 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.415 -0.292 12.432 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.037 -0.063 11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.184 1.285 14.017 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.312 2.017 12.893 1.00 0.00 H new ATOM 924 N ALA A 59 7.912 1.221 12.518 1.00 0.00 N ATOM 925 CA ALA A 59 6.548 1.018 12.978 1.00 0.00 C ATOM 926 C ALA A 59 5.703 2.273 12.864 1.00 0.00 C ATOM 927 O ALA A 59 4.654 2.272 12.236 1.00 0.00 O ATOM 928 CB ALA A 59 6.619 0.663 14.474 1.00 0.00 C ATOM 0 H ALA A 59 8.613 0.742 13.083 1.00 0.00 H new ATOM 0 HA ALA A 59 6.096 0.239 12.364 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.612 0.502 14.858 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.206 -0.246 14.605 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.089 1.481 15.020 1.00 0.00 H new ATOM 934 N ASP A 60 6.162 3.317 13.538 1.00 0.00 N ATOM 935 CA ASP A 60 5.436 4.556 13.622 1.00 0.00 C ATOM 936 C ASP A 60 5.177 5.240 12.272 1.00 0.00 C ATOM 937 O ASP A 60 4.113 5.819 12.057 1.00 0.00 O ATOM 938 CB ASP A 60 6.106 5.444 14.645 1.00 0.00 C ATOM 939 CG ASP A 60 6.337 4.811 16.024 1.00 0.00 C ATOM 940 OD1 ASP A 60 5.424 4.137 16.559 1.00 0.00 O ATOM 941 OD2 ASP A 60 7.429 5.033 16.594 1.00 0.00 O ATOM 0 H ASP A 60 7.050 3.320 14.039 1.00 0.00 H new ATOM 0 HA ASP A 60 4.424 4.333 13.961 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.069 5.764 14.247 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.500 6.341 14.774 1.00 0.00 H new ATOM 946 N ALA A 61 6.156 5.173 11.365 1.00 0.00 N ATOM 947 CA ALA A 61 5.929 5.582 9.974 1.00 0.00 C ATOM 948 C ALA A 61 4.756 4.824 9.350 1.00 0.00 C ATOM 949 O ALA A 61 3.837 5.416 8.784 1.00 0.00 O ATOM 950 CB ALA A 61 7.233 5.417 9.188 1.00 0.00 C ATOM 0 H ALA A 61 7.101 4.844 11.564 1.00 0.00 H new ATOM 0 HA ALA A 61 5.644 6.634 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.074 5.719 8.153 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.008 6.041 9.633 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.546 4.373 9.218 1.00 0.00 H new ATOM 956 N LYS A 62 4.808 3.492 9.453 1.00 0.00 N ATOM 957 CA LYS A 62 3.728 2.600 8.970 1.00 0.00 C ATOM 958 C LYS A 62 2.375 2.950 9.589 1.00 0.00 C ATOM 959 O LYS A 62 1.352 3.002 8.920 1.00 0.00 O ATOM 960 CB LYS A 62 4.123 1.120 9.155 1.00 0.00 C ATOM 961 CG LYS A 62 3.157 0.148 8.453 1.00 0.00 C ATOM 962 CD LYS A 62 3.668 -1.303 8.467 1.00 0.00 C ATOM 963 CE LYS A 62 3.752 -1.897 9.881 1.00 0.00 C ATOM 964 NZ LYS A 62 4.235 -3.304 9.854 1.00 0.00 N ATOM 0 H LYS A 62 5.594 2.995 9.871 1.00 0.00 H new ATOM 0 HA LYS A 62 3.603 2.761 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.130 0.967 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.153 0.888 10.220 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.184 0.192 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.010 0.468 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.008 -1.921 7.858 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.654 -1.339 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.423 -1.293 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.770 -1.857 10.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.280 -3.674 10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.581 -3.885 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.183 -3.338 9.427 1.00 0.00 H new ATOM 978 N ASN A 63 2.421 3.184 10.888 1.00 0.00 N ATOM 979 CA ASN A 63 1.271 3.623 11.656 1.00 0.00 C ATOM 980 C ASN A 63 0.643 4.898 11.086 1.00 0.00 C ATOM 981 O ASN A 63 -0.491 4.854 10.619 1.00 0.00 O ATOM 982 CB ASN A 63 1.804 3.777 13.082 1.00 0.00 C ATOM 983 CG ASN A 63 0.887 3.369 14.208 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.068 2.625 14.047 1.00 0.00 O ATOM 985 ND2 ASN A 63 1.244 3.736 15.414 1.00 0.00 N ATOM 0 H ASN A 63 3.268 3.073 11.445 1.00 0.00 H new ATOM 0 HA ASN A 63 0.446 2.911 11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.721 3.194 13.165 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.076 4.822 13.230 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.723 3.400 16.224 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.042 4.358 15.543 1.00 0.00 H new ATOM 992 N ALA A 64 1.401 6.003 11.078 1.00 0.00 N ATOM 993 CA ALA A 64 0.940 7.265 10.511 1.00 0.00 C ATOM 994 C ALA A 64 0.487 7.126 9.048 1.00 0.00 C ATOM 995 O ALA A 64 -0.506 7.735 8.660 1.00 0.00 O ATOM 996 CB ALA A 64 2.053 8.298 10.703 1.00 0.00 C ATOM 0 H ALA A 64 2.345 6.041 11.463 1.00 0.00 H new ATOM 0 HA ALA A 64 0.044 7.601 11.034 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.737 9.255 10.288 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.261 8.415 11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.955 7.961 10.192 1.00 0.00 H new ATOM 1002 N ALA A 65 1.172 6.310 8.239 1.00 0.00 N ATOM 1003 CA ALA A 65 0.680 5.933 6.917 1.00 0.00 C ATOM 1004 C ALA A 65 -0.724 5.310 6.939 1.00 0.00 C ATOM 1005 O ALA A 65 -1.656 5.896 6.405 1.00 0.00 O ATOM 1006 CB ALA A 65 1.709 5.039 6.212 1.00 0.00 C ATOM 0 H ALA A 65 2.073 5.898 8.482 1.00 0.00 H new ATOM 0 HA ALA A 65 0.563 6.850 6.339 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.335 4.762 5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.649 5.581 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.875 4.139 6.804 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.874 4.132 7.550 1.00 0.00 N ATOM 1013 CA LYS A 66 -2.117 3.333 7.604 1.00 0.00 C ATOM 1014 C LYS A 66 -3.264 4.154 8.176 1.00 0.00 C ATOM 1015 O LYS A 66 -4.406 4.033 7.737 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.907 2.011 8.368 1.00 0.00 C ATOM 1017 CG LYS A 66 -0.937 1.028 7.680 1.00 0.00 C ATOM 1018 CD LYS A 66 -1.488 0.341 6.421 1.00 0.00 C ATOM 1019 CE LYS A 66 -0.395 -0.586 5.867 1.00 0.00 C ATOM 1020 NZ LYS A 66 -0.818 -1.301 4.635 1.00 0.00 N ATOM 0 H LYS A 66 -0.103 3.683 8.044 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.390 3.062 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.530 2.237 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.872 1.521 8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.028 1.567 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.653 0.260 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.386 -0.229 6.660 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.772 1.084 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.498 0.000 5.653 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.122 -1.315 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.044 -1.912 4.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.654 -1.884 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.053 -0.609 3.895 1.00 0.00 H new ATOM 1034 N ASP A 67 -2.937 4.992 9.157 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.840 6.043 9.619 1.00 0.00 C ATOM 1036 C ASP A 67 -4.324 6.995 8.506 1.00 0.00 C ATOM 1037 O ASP A 67 -5.516 7.132 8.227 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.085 6.865 10.667 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.060 7.474 11.685 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -4.471 6.759 12.627 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -4.461 8.644 11.509 1.00 0.00 O ATOM 0 H ASP A 67 -2.045 4.962 9.651 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.732 5.557 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.363 6.232 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.521 7.658 10.177 1.00 0.00 H new ATOM 1046 N MET A 68 -3.333 7.699 7.958 1.00 0.00 N ATOM 1047 CA MET A 68 -3.573 8.861 7.067 1.00 0.00 C ATOM 1048 C MET A 68 -4.015 8.534 5.639 1.00 0.00 C ATOM 1049 O MET A 68 -5.209 8.549 5.358 1.00 0.00 O ATOM 1050 CB MET A 68 -2.386 9.815 7.099 1.00 0.00 C ATOM 1051 CG MET A 68 -2.290 10.628 8.393 1.00 0.00 C ATOM 1052 SD MET A 68 -3.498 11.987 8.491 1.00 0.00 S ATOM 1053 CE MET A 68 -4.771 11.265 9.560 1.00 0.00 C ATOM 0 H MET A 68 -2.346 7.492 8.110 1.00 0.00 H new ATOM 0 HA MET A 68 -4.448 9.358 7.485 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.467 9.243 6.970 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.457 10.499 6.254 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.436 9.961 9.243 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.285 11.040 8.480 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.431 12.053 9.923 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.352 10.538 8.993 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.297 10.770 10.407 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.024 8.278 4.761 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.245 7.668 3.430 1.00 0.00 C ATOM 1065 C ASN A 69 -4.262 8.245 2.418 1.00 0.00 C ATOM 1066 O ASN A 69 -4.346 7.735 1.297 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.363 6.149 3.629 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.751 5.642 3.980 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.120 5.722 5.233 1.00 0.00 O flip ATOM 1070 ND2 ASN A 69 -5.508 5.179 3.139 1.00 0.00 N flip ATOM 0 H ASN A 69 -2.045 8.488 4.954 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.364 7.975 2.867 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.034 5.654 2.715 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.675 5.849 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.213 5.120 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.435 4.852 3.412 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.954 9.322 2.771 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.994 9.997 1.990 1.00 0.00 C ATOM 1079 C GLY A 70 -7.019 10.716 2.864 1.00 0.00 C ATOM 1080 O GLY A 70 -8.221 10.693 2.581 1.00 0.00 O ATOM 0 H GLY A 70 -4.796 9.780 3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.527 10.717 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.506 9.265 1.366 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.513 11.345 3.933 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.324 12.256 4.737 1.00 0.00 C ATOM 1086 C LYS A 71 -7.336 13.610 4.013 1.00 0.00 C ATOM 1087 O LYS A 71 -6.778 13.752 2.917 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.639 12.298 6.116 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.406 12.952 7.283 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.731 12.237 7.597 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.351 12.790 8.887 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.605 12.074 9.245 1.00 0.00 N ATOM 0 H LYS A 71 -5.551 11.238 4.256 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.364 11.957 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.403 11.273 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.691 12.824 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.777 12.949 8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.609 13.995 7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.426 12.368 6.768 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.557 11.166 7.701 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.634 12.699 9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.561 13.852 8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.995 12.475 10.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.298 12.182 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.400 11.064 9.387 1.00 0.00 H new ATOM 1106 N SER A 72 -7.918 14.637 4.615 1.00 0.00 N ATOM 1107 CA SER A 72 -7.896 15.974 4.037 1.00 0.00 C ATOM 1108 C SER A 72 -7.983 17.041 5.116 1.00 0.00 C ATOM 1109 O SER A 72 -8.839 17.011 6.004 1.00 0.00 O ATOM 1110 CB SER A 72 -8.964 16.059 2.941 1.00 0.00 C ATOM 1111 OG SER A 72 -10.284 15.994 3.458 1.00 0.00 O ATOM 0 H SER A 72 -8.412 14.570 5.505 1.00 0.00 H new ATOM 0 HA SER A 72 -6.941 16.173 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.840 16.991 2.389 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.816 15.246 2.231 1.00 0.00 H new ATOM 0 HG SER A 72 -10.927 16.054 2.721 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.987 17.932 5.075 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.711 18.884 6.162 1.00 0.00 C ATOM 1119 C LEU A 73 -5.908 20.138 5.770 1.00 0.00 C ATOM 1120 O LEU A 73 -5.885 21.107 6.529 1.00 0.00 O ATOM 1121 CB LEU A 73 -6.092 18.114 7.359 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.626 17.615 7.365 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -4.044 17.013 6.086 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.665 18.706 7.851 1.00 0.00 C ATOM 0 H LEU A 73 -6.346 18.015 4.286 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.669 19.314 6.453 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.206 18.755 8.233 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.719 17.238 7.523 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.706 16.774 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.010 16.715 6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.629 16.140 5.796 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.077 17.754 5.287 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.645 18.322 7.843 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.733 19.571 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.933 19.002 8.865 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.291 20.153 4.582 1.00 0.00 N ATOM 1137 CA HIS A 74 -4.518 21.297 4.076 1.00 0.00 C ATOM 1138 C HIS A 74 -5.326 22.258 3.183 1.00 0.00 C ATOM 1139 O HIS A 74 -4.831 23.332 2.842 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.300 20.787 3.294 1.00 0.00 C ATOM 1141 CG HIS A 74 -3.580 20.464 1.861 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -3.239 21.254 0.792 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -4.072 19.294 1.373 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -3.412 20.533 -0.324 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -3.985 19.349 -0.025 1.00 0.00 N ATOM 0 H HIS A 74 -5.314 19.363 3.937 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.216 21.870 4.953 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.514 21.540 3.337 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.914 19.895 3.787 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.912 22.219 0.839 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.459 18.472 1.956 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.134 20.853 -1.317 1.00 0.00 H new ATOM 1153 N GLY A 75 -6.529 21.849 2.760 1.00 0.00 N ATOM 1154 CA GLY A 75 -7.278 22.557 1.714 1.00 0.00 C ATOM 1155 C GLY A 75 -7.950 21.621 0.697 1.00 0.00 C ATOM 1156 O GLY A 75 -9.047 21.939 0.233 1.00 0.00 O ATOM 0 H GLY A 75 -7.007 21.027 3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -8.041 23.178 2.183 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.601 23.228 1.185 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.325 20.470 0.365 1.00 0.00 N ATOM 1161 CA LYS A 76 -7.835 19.575 -0.705 1.00 0.00 C ATOM 1162 C LYS A 76 -7.766 18.079 -0.367 1.00 0.00 C ATOM 1163 O LYS A 76 -8.814 17.439 -0.437 1.00 0.00 O ATOM 1164 CB LYS A 76 -7.111 19.854 -2.041 1.00 0.00 C ATOM 1165 CG LYS A 76 -7.343 21.281 -2.573 1.00 0.00 C ATOM 1166 CD LYS A 76 -6.724 21.528 -3.956 1.00 0.00 C ATOM 1167 CE LYS A 76 -7.429 20.727 -5.061 1.00 0.00 C ATOM 1168 NZ LYS A 76 -6.872 21.044 -6.404 1.00 0.00 N ATOM 0 H LYS A 76 -6.473 20.138 0.817 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.895 19.812 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.041 19.693 -1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.451 19.136 -2.787 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.415 21.471 -2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.926 21.997 -1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.777 22.591 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -5.668 21.259 -3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.321 19.660 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.496 20.948 -5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.370 20.486 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -6.997 22.057 -6.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.859 20.810 -6.424 1.00 0.00 H new ATOM 1182 N ALA A 77 -6.572 17.589 0.017 1.00 0.00 N ATOM 1183 CA ALA A 77 -6.352 16.167 0.396 1.00 0.00 C ATOM 1184 C ALA A 77 -4.864 15.784 0.304 1.00 0.00 C ATOM 1185 O ALA A 77 -4.119 16.260 -0.554 1.00 0.00 O ATOM 1186 CB ALA A 77 -7.181 15.143 -0.397 1.00 0.00 C ATOM 0 H ALA A 77 -5.730 18.161 0.075 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.700 16.116 1.428 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.949 14.137 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.243 15.342 -0.250 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.940 15.222 -1.457 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.482 14.865 1.191 1.00 0.00 N ATOM 1193 CA ILE A 78 -3.079 14.457 1.359 1.00 0.00 C ATOM 1194 C ILE A 78 -2.776 13.092 0.758 1.00 0.00 C ATOM 1195 O ILE A 78 -3.603 12.178 0.726 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.606 14.485 2.822 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.419 13.504 3.672 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -2.631 15.939 3.316 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.835 13.369 5.068 1.00 0.00 C ATOM 0 H ILE A 78 -5.130 14.382 1.813 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.519 15.210 0.805 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.577 14.138 2.912 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.452 13.846 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.438 12.528 3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.298 15.977 4.353 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.967 16.544 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.646 16.329 3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.434 12.666 5.647 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.811 13.003 5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.841 14.341 5.560 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.527 12.980 0.332 1.00 0.00 N ATOM 1212 CA LYS A 79 -0.934 11.696 -0.028 1.00 0.00 C ATOM 1213 C LYS A 79 -0.011 11.318 1.120 1.00 0.00 C ATOM 1214 O LYS A 79 0.791 12.144 1.542 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.107 11.959 -1.292 1.00 0.00 C ATOM 1216 CG LYS A 79 1.073 11.027 -1.591 1.00 0.00 C ATOM 1217 CD LYS A 79 0.757 9.945 -2.597 1.00 0.00 C ATOM 1218 CE LYS A 79 -0.087 8.833 -1.993 1.00 0.00 C ATOM 1219 NZ LYS A 79 -0.178 7.674 -2.921 1.00 0.00 N ATOM 0 H LYS A 79 -0.895 13.773 0.225 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.663 10.905 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.784 11.925 -2.146 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.279 12.977 -1.232 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.908 11.621 -1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.400 10.561 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.229 10.381 -3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.686 9.526 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.349 8.513 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.087 9.208 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.019 7.108 -2.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -0.253 8.018 -3.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.674 7.085 -2.825 1.00 0.00 H new ATOM 1233 N VAL A 80 -0.096 10.071 1.577 1.00 0.00 N ATOM 1234 CA VAL A 80 0.891 9.477 2.492 1.00 0.00 C ATOM 1235 C VAL A 80 1.403 8.173 1.900 1.00 0.00 C ATOM 1236 O VAL A 80 0.644 7.220 1.711 1.00 0.00 O ATOM 1237 CB VAL A 80 0.360 9.286 3.921 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.479 8.781 4.844 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.245 10.591 4.453 1.00 0.00 C ATOM 0 H VAL A 80 -0.853 9.436 1.325 1.00 0.00 H new ATOM 0 HA VAL A 80 1.718 10.180 2.591 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.430 8.535 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.087 8.651 5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.853 7.827 4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.292 9.507 4.861 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.615 10.434 5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.519 11.369 4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.069 10.899 3.809 1.00 0.00 H new ATOM 1249 N GLU A 81 2.682 8.172 1.542 1.00 0.00 N ATOM 1250 CA GLU A 81 3.397 7.033 0.956 1.00 0.00 C ATOM 1251 C GLU A 81 4.776 6.841 1.606 1.00 0.00 C ATOM 1252 O GLU A 81 5.357 7.792 2.123 1.00 0.00 O ATOM 1253 CB GLU A 81 3.442 7.156 -0.574 1.00 0.00 C ATOM 1254 CG GLU A 81 3.509 5.767 -1.225 1.00 0.00 C ATOM 1255 CD GLU A 81 3.297 5.839 -2.742 1.00 0.00 C ATOM 1256 OE1 GLU A 81 2.201 6.273 -3.175 1.00 0.00 O ATOM 1257 OE2 GLU A 81 4.219 5.434 -3.487 1.00 0.00 O ATOM 0 H GLU A 81 3.276 8.993 1.654 1.00 0.00 H new ATOM 0 HA GLU A 81 2.847 6.117 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.559 7.687 -0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.309 7.746 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.477 5.313 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.751 5.121 -0.782 1.00 0.00 H new ATOM 1264 N GLN A 82 5.315 5.621 1.646 1.00 0.00 N ATOM 1265 CA GLN A 82 6.570 5.355 2.356 1.00 0.00 C ATOM 1266 C GLN A 82 7.728 5.659 1.384 1.00 0.00 C ATOM 1267 O GLN A 82 7.703 5.271 0.211 1.00 0.00 O ATOM 1268 CB GLN A 82 6.537 3.892 2.832 1.00 0.00 C ATOM 1269 CG GLN A 82 7.687 3.489 3.767 1.00 0.00 C ATOM 1270 CD GLN A 82 9.011 3.275 3.042 1.00 0.00 C ATOM 1271 OE1 GLN A 82 9.149 2.398 2.201 1.00 0.00 O ATOM 1272 NE2 GLN A 82 10.013 4.077 3.324 1.00 0.00 N ATOM 0 H GLN A 82 4.904 4.803 1.197 1.00 0.00 H new ATOM 0 HA GLN A 82 6.708 5.981 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 82 5.592 3.713 3.345 1.00 0.00 H new ATOM 0 HB3 GLN A 82 6.554 3.241 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.817 4.262 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.416 2.572 4.290 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.899 4.809 4.025 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.905 3.968 2.842 1.00 0.00 H new ATOM 1281 N ALA A 83 8.696 6.454 1.854 1.00 0.00 N ATOM 1282 CA ALA A 83 9.713 7.061 1.000 1.00 0.00 C ATOM 1283 C ALA A 83 10.659 6.063 0.297 1.00 0.00 C ATOM 1284 O ALA A 83 11.174 5.111 0.892 1.00 0.00 O ATOM 1285 CB ALA A 83 10.497 8.122 1.784 1.00 0.00 C ATOM 0 H ALA A 83 8.793 6.693 2.841 1.00 0.00 H new ATOM 0 HA ALA A 83 9.168 7.534 0.183 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.253 8.568 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 83 9.813 8.897 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.983 7.656 2.641 1.00 0.00 H new ATOM 1291 N LYS A 84 10.923 6.377 -0.973 1.00 0.00 N ATOM 1292 CA LYS A 84 11.963 5.699 -1.764 1.00 0.00 C ATOM 1293 C LYS A 84 13.251 6.552 -1.731 1.00 0.00 C ATOM 1294 O LYS A 84 13.366 7.465 -0.907 1.00 0.00 O ATOM 1295 CB LYS A 84 11.336 5.487 -3.165 1.00 0.00 C ATOM 1296 CG LYS A 84 12.089 4.636 -4.199 1.00 0.00 C ATOM 1297 CD LYS A 84 12.640 3.294 -3.701 1.00 0.00 C ATOM 1298 CE LYS A 84 11.536 2.267 -3.422 1.00 0.00 C ATOM 1299 NZ LYS A 84 12.109 0.903 -3.284 1.00 0.00 N ATOM 0 H LYS A 84 10.426 7.106 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 84 12.271 4.726 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.354 5.036 -3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 84 11.174 6.471 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.418 4.441 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.920 5.225 -4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.327 2.890 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.216 3.458 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.004 2.537 -2.510 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.807 2.280 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.345 0.223 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.597 0.641 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.787 0.889 -2.495 1.00 0.00 H new ATOM 1313 N LYS A 85 14.216 6.257 -2.610 1.00 0.00 N ATOM 1314 CA LYS A 85 15.378 7.146 -2.819 1.00 0.00 C ATOM 1315 C LYS A 85 15.065 8.127 -3.968 1.00 0.00 C ATOM 1316 O LYS A 85 14.339 7.741 -4.889 1.00 0.00 O ATOM 1317 CB LYS A 85 16.635 6.308 -3.138 1.00 0.00 C ATOM 1318 CG LYS A 85 16.872 5.182 -2.112 1.00 0.00 C ATOM 1319 CD LYS A 85 18.344 4.771 -1.964 1.00 0.00 C ATOM 1320 CE LYS A 85 19.033 4.322 -3.258 1.00 0.00 C ATOM 1321 NZ LYS A 85 20.486 4.107 -3.018 1.00 0.00 N ATOM 0 H LYS A 85 14.221 5.416 -3.187 1.00 0.00 H new ATOM 0 HA LYS A 85 15.574 7.716 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 85 16.535 5.873 -4.133 1.00 0.00 H new ATOM 0 HB3 LYS A 85 17.507 6.962 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.496 5.504 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.289 4.309 -2.405 1.00 0.00 H new ATOM 0 HD2 LYS A 85 18.899 5.613 -1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.406 3.960 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.577 3.401 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.892 5.075 -4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.943 3.803 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.919 4.995 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.613 3.373 -2.292 1.00 0.00 H new ATOM 1335 N PRO A 86 15.626 9.351 -3.988 1.00 0.00 N ATOM 1336 CA PRO A 86 15.433 10.277 -5.108 1.00 0.00 C ATOM 1337 C PRO A 86 16.242 9.852 -6.353 1.00 0.00 C ATOM 1338 O PRO A 86 15.832 10.078 -7.491 1.00 0.00 O ATOM 1339 CB PRO A 86 15.923 11.613 -4.575 1.00 0.00 C ATOM 1340 CG PRO A 86 17.019 11.248 -3.571 1.00 0.00 C ATOM 1341 CD PRO A 86 16.506 9.933 -2.981 1.00 0.00 C ATOM 0 HA PRO A 86 14.394 10.306 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.312 12.241 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.117 12.169 -4.097 1.00 0.00 H new ATOM 0 HG2 PRO A 86 17.988 11.124 -4.055 1.00 0.00 H new ATOM 0 HG3 PRO A 86 17.140 12.015 -2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 86 17.333 9.261 -2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.969 10.108 -2.049 1.00 0.00 H new