USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 685 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 86 ASN : amide:sc= -4.23! C(o=-6.5!,f=-4.8!) USER MOD Set 1.2: A 108 GLN : amide:sc= -2.26! K(o=-6.5!,f=-3.1) USER MOD Set 2.1: A 18 ASN : amide:sc= -2.91 K(o=-6.5,f=-1) USER MOD Set 2.2: A 43 ASN : amide:sc= -3.62! K(o=-6.5!,f=-1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.828 X(o=-0.83,f=-0.97) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.52! X(o=-0.52!,f=-0.98) USER MOD Single : A 45 SER OG : rot 47:sc= -0.403 USER MOD Single : A 48 THR OG1 : rot -23:sc= -0.933! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 147:sc= 0 (180deg=-0.00839) USER MOD Single : A 59 HIS : no HE2:sc= -0.975 K(o=-0.97,f=-5!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.58 K(o=-0.58,f=-2.1) USER MOD Single : A 66 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.071) USER MOD Single : A 67 GLN : amide:sc= -1.83 K(o=-1.8,f=-2.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -10.2! C(o=-10!,f=-18!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 42:sc= 0.0194 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -15:sc= -1.46 USER MOD Single : A 88 SER OG : rot -149:sc= -1.27! USER MOD Single : A 92 MET CE :methyl -135:sc= -7.46! (180deg=-13.2!) USER MOD Single : A 95 ASN : amide:sc= -12.8! C(o=-13!,f=-25!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -163:sc= 0.766 USER MOD Single : A 103 SER OG : rot 75:sc= -1.19! USER MOD Single : A 106 SER OG : rot -90:sc= -1.56 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.477 -11.374 -7.095 1.00 0.00 N ATOM 133 CA VAL A 13 -27.292 -9.936 -7.010 1.00 0.00 C ATOM 134 C VAL A 13 -25.814 -9.629 -6.762 1.00 0.00 C ATOM 135 O VAL A 13 -25.257 -10.024 -5.739 1.00 0.00 O ATOM 136 CB VAL A 13 -28.212 -9.353 -5.934 1.00 0.00 C ATOM 137 CG1 VAL A 13 -27.966 -10.023 -4.581 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.045 -7.836 -5.834 1.00 0.00 C ATOM 0 HA VAL A 13 -27.569 -9.459 -7.950 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.242 -9.558 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.632 -9.591 -3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.159 -11.092 -4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -26.931 -9.864 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.710 -7.447 -5.063 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.013 -7.600 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.294 -7.379 -6.792 1.00 0.00 H new ATOM 148 N TYR A 14 -25.220 -8.929 -7.717 1.00 0.00 N ATOM 149 CA TYR A 14 -23.817 -8.565 -7.615 1.00 0.00 C ATOM 150 C TYR A 14 -23.658 -7.099 -7.207 1.00 0.00 C ATOM 151 O TYR A 14 -24.632 -6.447 -6.832 1.00 0.00 O ATOM 152 CB TYR A 14 -23.228 -8.758 -9.014 1.00 0.00 C ATOM 153 CG TYR A 14 -23.481 -10.145 -9.609 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.711 -10.447 -10.159 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.480 -11.094 -9.597 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.949 -11.752 -10.719 1.00 0.00 C ATOM 157 CE2 TYR A 14 -22.717 -12.400 -10.157 1.00 0.00 C ATOM 158 CZ TYR A 14 -23.940 -12.664 -10.690 1.00 0.00 C ATOM 159 OH TYR A 14 -24.165 -13.897 -11.219 1.00 0.00 O ATOM 0 H TYR A 14 -25.685 -8.604 -8.565 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.317 -9.175 -6.862 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.648 -8.005 -9.681 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.153 -8.582 -8.972 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.495 -9.704 -10.169 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.518 -10.858 -9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.906 -12.001 -11.152 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -21.942 -13.152 -10.154 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.356 -14.444 -11.130 1.00 0.00 H new ATOM 169 N ASP A 15 -22.425 -6.624 -7.293 1.00 0.00 N ATOM 170 CA ASP A 15 -22.126 -5.247 -6.937 1.00 0.00 C ATOM 171 C ASP A 15 -20.633 -5.116 -6.630 1.00 0.00 C ATOM 172 O ASP A 15 -20.255 -4.611 -5.574 1.00 0.00 O ATOM 173 CB ASP A 15 -22.904 -4.820 -5.691 1.00 0.00 C ATOM 174 CG ASP A 15 -24.205 -4.063 -5.969 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.545 -3.939 -7.165 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.830 -3.626 -4.978 1.00 0.00 O ATOM 0 H ASP A 15 -21.620 -7.168 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.411 -4.612 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.137 -5.708 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.260 -4.191 -5.076 1.00 0.00 H new ATOM 181 N VAL A 16 -19.825 -5.580 -7.572 1.00 0.00 N ATOM 182 CA VAL A 16 -18.382 -5.521 -7.415 1.00 0.00 C ATOM 183 C VAL A 16 -17.998 -6.086 -6.046 1.00 0.00 C ATOM 184 O VAL A 16 -18.842 -6.198 -5.158 1.00 0.00 O ATOM 185 CB VAL A 16 -17.890 -4.089 -7.630 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.161 -3.625 -9.063 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.523 -3.134 -6.616 1.00 0.00 C ATOM 0 H VAL A 16 -20.142 -5.998 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.891 -6.136 -8.169 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.811 -4.078 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.801 -2.604 -9.189 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.642 -4.281 -9.762 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.232 -3.659 -9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.156 -2.122 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.607 -3.151 -6.727 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.257 -3.447 -5.606 1.00 0.00 H new ATOM 197 N PRO A 17 -16.691 -6.436 -5.914 1.00 0.00 N ATOM 198 CA PRO A 17 -16.185 -6.986 -4.668 1.00 0.00 C ATOM 199 C PRO A 17 -16.035 -5.894 -3.607 1.00 0.00 C ATOM 200 O PRO A 17 -15.331 -4.908 -3.821 1.00 0.00 O ATOM 201 CB PRO A 17 -14.865 -7.643 -5.035 1.00 0.00 C ATOM 202 CG PRO A 17 -14.455 -7.039 -6.368 1.00 0.00 C ATOM 203 CD PRO A 17 -15.663 -6.318 -6.944 1.00 0.00 C ATOM 0 HA PRO A 17 -16.865 -7.712 -4.222 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.110 -7.455 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.976 -8.724 -5.114 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.625 -6.346 -6.234 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.113 -7.817 -7.051 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.436 -5.274 -7.159 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -15.986 -6.773 -7.880 1.00 0.00 H new ATOM 211 N ASN A 18 -16.709 -6.106 -2.486 1.00 0.00 N ATOM 212 CA ASN A 18 -16.660 -5.151 -1.392 1.00 0.00 C ATOM 213 C ASN A 18 -15.211 -4.711 -1.170 1.00 0.00 C ATOM 214 O ASN A 18 -14.281 -5.362 -1.643 1.00 0.00 O ATOM 215 CB ASN A 18 -17.168 -5.778 -0.091 1.00 0.00 C ATOM 216 CG ASN A 18 -18.680 -5.597 0.050 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.208 -5.383 1.129 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.346 -5.696 -1.097 1.00 0.00 N ATOM 0 H ASN A 18 -17.292 -6.925 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.292 -4.303 -1.655 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.922 -6.840 -0.074 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.662 -5.320 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.361 -5.591 -1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.842 -5.876 -1.965 1.00 0.00 H new ATOM 225 N PRO A 19 -15.062 -3.579 -0.431 1.00 0.00 N ATOM 226 CA PRO A 19 -13.742 -3.043 -0.141 1.00 0.00 C ATOM 227 C PRO A 19 -13.036 -3.877 0.930 1.00 0.00 C ATOM 228 O PRO A 19 -13.682 -4.421 1.824 1.00 0.00 O ATOM 229 CB PRO A 19 -13.987 -1.606 0.290 1.00 0.00 C ATOM 230 CG PRO A 19 -15.456 -1.530 0.671 1.00 0.00 C ATOM 231 CD PRO A 19 -16.140 -2.781 0.145 1.00 0.00 C ATOM 0 HA PRO A 19 -13.075 -3.078 -1.002 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.350 -1.337 1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.757 -0.911 -0.518 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.566 -1.461 1.753 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.915 -0.637 0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.648 -3.320 0.944 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.894 -2.535 -0.603 1.00 0.00 H new ATOM 239 N PRO A 20 -11.684 -3.953 0.800 1.00 0.00 N ATOM 240 CA PRO A 20 -10.883 -4.711 1.746 1.00 0.00 C ATOM 241 C PRO A 20 -10.748 -3.962 3.074 1.00 0.00 C ATOM 242 O PRO A 20 -11.213 -2.831 3.203 1.00 0.00 O ATOM 243 CB PRO A 20 -9.550 -4.927 1.048 1.00 0.00 C ATOM 244 CG PRO A 20 -9.489 -3.892 -0.063 1.00 0.00 C ATOM 245 CD PRO A 20 -10.886 -3.321 -0.246 1.00 0.00 C ATOM 0 HA PRO A 20 -11.337 -5.665 2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.720 -4.803 1.744 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.479 -5.937 0.645 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.784 -3.101 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.138 -4.347 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.887 -2.236 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.280 -3.548 -1.237 1.00 0.00 H new ATOM 253 N PHE A 21 -10.110 -4.624 4.028 1.00 0.00 N ATOM 254 CA PHE A 21 -9.909 -4.036 5.341 1.00 0.00 C ATOM 255 C PHE A 21 -8.641 -4.585 5.999 1.00 0.00 C ATOM 256 O PHE A 21 -7.977 -5.459 5.443 1.00 0.00 O ATOM 257 CB PHE A 21 -11.119 -4.420 6.194 1.00 0.00 C ATOM 258 CG PHE A 21 -11.405 -5.923 6.228 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.140 -6.498 5.239 1.00 0.00 C ATOM 260 CD2 PHE A 21 -10.924 -6.683 7.248 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.405 -7.893 5.271 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.189 -8.078 7.280 1.00 0.00 C ATOM 263 CZ PHE A 21 -11.924 -8.653 6.291 1.00 0.00 C ATOM 0 H PHE A 21 -9.725 -5.562 3.918 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.801 -2.955 5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.959 -4.068 7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.999 -3.902 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.522 -5.894 4.429 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.341 -6.226 8.034 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -12.988 -8.350 4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -10.807 -8.682 8.090 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.126 -9.714 6.316 1.00 0.00 H new ATOM 273 N ASP A 22 -8.343 -4.050 7.174 1.00 0.00 N ATOM 274 CA ASP A 22 -7.167 -4.475 7.913 1.00 0.00 C ATOM 275 C ASP A 22 -5.913 -4.143 7.103 1.00 0.00 C ATOM 276 O ASP A 22 -4.875 -4.783 7.269 1.00 0.00 O ATOM 277 CB ASP A 22 -7.187 -5.985 8.157 1.00 0.00 C ATOM 278 CG ASP A 22 -7.094 -6.405 9.626 1.00 0.00 C ATOM 279 OD1 ASP A 22 -7.295 -5.517 10.483 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.823 -7.603 9.858 1.00 0.00 O ATOM 0 H ASP A 22 -8.896 -3.326 7.632 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.164 -3.955 8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.105 -6.394 7.736 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.358 -6.437 7.613 1.00 0.00 H new ATOM 285 N LEU A 23 -6.049 -3.143 6.244 1.00 0.00 N ATOM 286 CA LEU A 23 -4.939 -2.719 5.408 1.00 0.00 C ATOM 287 C LEU A 23 -3.768 -2.298 6.298 1.00 0.00 C ATOM 288 O LEU A 23 -3.953 -1.570 7.271 1.00 0.00 O ATOM 289 CB LEU A 23 -5.390 -1.632 4.430 1.00 0.00 C ATOM 290 CG LEU A 23 -5.354 -2.007 2.947 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.528 -2.919 2.584 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.306 -0.756 2.067 1.00 0.00 C ATOM 0 H LEU A 23 -6.911 -2.614 6.109 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.589 -3.546 4.790 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.409 -1.341 4.686 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.761 -0.754 4.578 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.439 -2.569 2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.479 -3.171 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.476 -3.832 3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.466 -2.404 2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.281 -1.050 1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.191 -0.147 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.412 -0.179 2.303 1.00 0.00 H new ATOM 304 N GLU A 24 -2.587 -2.774 5.931 1.00 0.00 N ATOM 305 CA GLU A 24 -1.385 -2.457 6.684 1.00 0.00 C ATOM 306 C GLU A 24 -0.141 -2.722 5.834 1.00 0.00 C ATOM 307 O GLU A 24 -0.176 -3.538 4.914 1.00 0.00 O ATOM 308 CB GLU A 24 -1.334 -3.246 7.993 1.00 0.00 C ATOM 309 CG GLU A 24 -1.369 -2.308 9.201 1.00 0.00 C ATOM 310 CD GLU A 24 -2.652 -2.506 10.012 1.00 0.00 C ATOM 311 OE1 GLU A 24 -2.992 -3.683 10.256 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.262 -1.475 10.369 1.00 0.00 O ATOM 0 H GLU A 24 -2.437 -3.377 5.122 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.408 -1.397 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.177 -3.935 8.039 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.427 -3.849 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.502 -2.493 9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.303 -1.273 8.865 1.00 0.00 H new ATOM 319 N LEU A 25 0.929 -2.018 6.172 1.00 0.00 N ATOM 320 CA LEU A 25 2.182 -2.168 5.452 1.00 0.00 C ATOM 321 C LEU A 25 3.178 -2.935 6.324 1.00 0.00 C ATOM 322 O LEU A 25 3.344 -2.626 7.502 1.00 0.00 O ATOM 323 CB LEU A 25 2.697 -0.805 4.984 1.00 0.00 C ATOM 324 CG LEU A 25 1.835 -0.082 3.946 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.786 -0.866 2.633 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.436 0.201 4.497 1.00 0.00 C ATOM 0 H LEU A 25 0.954 -1.342 6.935 1.00 0.00 H new ATOM 0 HA LEU A 25 2.033 -2.755 4.546 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.799 -0.159 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.695 -0.939 4.568 1.00 0.00 H new ATOM 0 HG LEU A 25 2.297 0.881 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.167 -0.331 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.795 -0.973 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.360 -1.853 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.156 0.715 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.049 -0.739 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.515 0.829 5.384 1.00 0.00 H new ATOM 445 N VAL A 33 7.833 -2.061 -0.231 1.00 0.00 N ATOM 446 CA VAL A 33 7.006 -2.360 0.927 1.00 0.00 C ATOM 447 C VAL A 33 5.853 -3.271 0.502 1.00 0.00 C ATOM 448 O VAL A 33 5.404 -3.218 -0.641 1.00 0.00 O ATOM 449 CB VAL A 33 6.532 -1.061 1.581 1.00 0.00 C ATOM 450 CG1 VAL A 33 5.665 -0.247 0.618 1.00 0.00 C ATOM 451 CG2 VAL A 33 5.785 -1.344 2.885 1.00 0.00 C ATOM 0 HA VAL A 33 7.583 -2.896 1.681 1.00 0.00 H new ATOM 0 HB VAL A 33 7.413 -0.467 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.341 0.671 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.244 0.001 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.792 -0.833 0.331 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.459 -0.403 3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.916 -1.968 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.447 -1.862 3.578 1.00 0.00 H new ATOM 461 N GLN A 34 5.406 -4.086 1.447 1.00 0.00 N ATOM 462 CA GLN A 34 4.314 -5.008 1.186 1.00 0.00 C ATOM 463 C GLN A 34 3.032 -4.517 1.863 1.00 0.00 C ATOM 464 O GLN A 34 3.030 -4.228 3.059 1.00 0.00 O ATOM 465 CB GLN A 34 4.669 -6.423 1.644 1.00 0.00 C ATOM 466 CG GLN A 34 3.913 -7.471 0.824 1.00 0.00 C ATOM 467 CD GLN A 34 4.666 -8.803 0.809 1.00 0.00 C ATOM 468 OE1 GLN A 34 5.556 -9.052 1.606 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.261 -9.642 -0.140 1.00 0.00 N ATOM 0 H GLN A 34 5.781 -4.127 2.395 1.00 0.00 H new ATOM 0 HA GLN A 34 4.143 -5.043 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.743 -6.583 1.544 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.427 -6.539 2.700 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.917 -7.617 1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.780 -7.113 -0.197 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.510 -9.370 -0.774 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.701 -10.557 -0.233 1.00 0.00 H new ATOM 478 N LEU A 35 1.974 -4.440 1.070 1.00 0.00 N ATOM 479 CA LEU A 35 0.689 -3.990 1.578 1.00 0.00 C ATOM 480 C LEU A 35 -0.252 -5.189 1.705 1.00 0.00 C ATOM 481 O LEU A 35 -0.632 -5.793 0.703 1.00 0.00 O ATOM 482 CB LEU A 35 0.134 -2.861 0.706 1.00 0.00 C ATOM 483 CG LEU A 35 -1.267 -2.364 1.066 1.00 0.00 C ATOM 484 CD1 LEU A 35 -1.255 -1.607 2.396 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.858 -1.523 -0.067 1.00 0.00 C ATOM 0 H LEU A 35 1.980 -4.682 0.079 1.00 0.00 H new ATOM 0 HA LEU A 35 0.801 -3.565 2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.822 -2.017 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.123 -3.200 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.915 -3.231 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.263 -1.264 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.905 -2.269 3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.588 -0.748 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.854 -1.182 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.218 -0.660 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.923 -2.127 -0.972 1.00 0.00 H new ATOM 497 N SER A 36 -0.602 -5.498 2.945 1.00 0.00 N ATOM 498 CA SER A 36 -1.492 -6.614 3.216 1.00 0.00 C ATOM 499 C SER A 36 -2.926 -6.109 3.391 1.00 0.00 C ATOM 500 O SER A 36 -3.204 -5.317 4.289 1.00 0.00 O ATOM 501 CB SER A 36 -1.045 -7.385 4.460 1.00 0.00 C ATOM 502 OG SER A 36 0.331 -7.748 4.397 1.00 0.00 O ATOM 0 H SER A 36 -0.285 -4.995 3.774 1.00 0.00 H new ATOM 0 HA SER A 36 -1.455 -7.296 2.366 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.219 -6.775 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.652 -8.284 4.567 1.00 0.00 H new ATOM 0 HG SER A 36 0.578 -8.237 5.210 1.00 0.00 H new ATOM 508 N TRP A 37 -3.798 -6.589 2.517 1.00 0.00 N ATOM 509 CA TRP A 37 -5.197 -6.197 2.563 1.00 0.00 C ATOM 510 C TRP A 37 -6.038 -7.464 2.722 1.00 0.00 C ATOM 511 O TRP A 37 -5.550 -8.570 2.495 1.00 0.00 O ATOM 512 CB TRP A 37 -5.577 -5.377 1.328 1.00 0.00 C ATOM 513 CG TRP A 37 -5.431 -6.137 0.008 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.362 -6.850 -0.641 1.00 0.00 C ATOM 515 CD2 TRP A 37 -4.241 -6.230 -0.803 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.861 -7.394 -1.806 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.530 -7.005 -1.908 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.962 -5.678 -0.609 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.592 -7.298 -2.905 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -2.036 -5.981 -1.615 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.312 -6.759 -2.733 1.00 0.00 C ATOM 0 H TRP A 37 -3.563 -7.246 1.773 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.387 -5.545 3.415 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.609 -5.042 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.954 -4.483 1.292 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.377 -6.982 -0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.373 -7.975 -2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.714 -5.069 0.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.843 -7.907 -3.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.037 -5.582 -1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.542 -6.947 -3.466 1.00 0.00 H new ATOM 532 N THR A 38 -7.289 -7.261 3.110 1.00 0.00 N ATOM 533 CA THR A 38 -8.203 -8.374 3.302 1.00 0.00 C ATOM 534 C THR A 38 -9.477 -8.165 2.482 1.00 0.00 C ATOM 535 O THR A 38 -10.277 -7.281 2.785 1.00 0.00 O ATOM 536 CB THR A 38 -8.463 -8.518 4.803 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.197 -8.891 5.341 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.371 -9.707 5.128 1.00 0.00 C ATOM 0 H THR A 38 -7.691 -6.342 3.297 1.00 0.00 H new ATOM 0 HA THR A 38 -7.771 -9.308 2.941 1.00 0.00 H new ATOM 0 HB THR A 38 -8.914 -7.601 5.183 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.274 -9.004 6.311 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.524 -9.764 6.206 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.333 -9.577 4.632 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.904 -10.628 4.778 1.00 0.00 H new ATOM 546 N PRO A 39 -9.631 -9.016 1.432 1.00 0.00 N ATOM 547 CA PRO A 39 -10.794 -8.933 0.566 1.00 0.00 C ATOM 548 C PRO A 39 -12.034 -9.506 1.256 1.00 0.00 C ATOM 549 O PRO A 39 -12.076 -10.692 1.581 1.00 0.00 O ATOM 550 CB PRO A 39 -10.406 -9.699 -0.688 1.00 0.00 C ATOM 551 CG PRO A 39 -9.225 -10.571 -0.295 1.00 0.00 C ATOM 552 CD PRO A 39 -8.705 -10.075 1.044 1.00 0.00 C ATOM 0 HA PRO A 39 -11.064 -7.905 0.322 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.237 -10.306 -1.048 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.137 -9.017 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.529 -11.615 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.442 -10.518 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.687 -10.876 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.686 -9.698 0.958 1.00 0.00 H new ATOM 560 N GLY A 40 -13.013 -8.637 1.461 1.00 0.00 N ATOM 561 CA GLY A 40 -14.250 -9.041 2.107 1.00 0.00 C ATOM 562 C GLY A 40 -15.135 -9.838 1.146 1.00 0.00 C ATOM 563 O GLY A 40 -14.640 -10.663 0.380 1.00 0.00 O ATOM 0 H GLY A 40 -12.974 -7.654 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.025 -9.645 2.986 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.787 -8.159 2.456 1.00 0.00 H new ATOM 567 N ASP A 41 -16.429 -9.563 1.218 1.00 0.00 N ATOM 568 CA ASP A 41 -17.388 -10.243 0.365 1.00 0.00 C ATOM 569 C ASP A 41 -17.021 -10.002 -1.101 1.00 0.00 C ATOM 570 O ASP A 41 -16.369 -9.010 -1.426 1.00 0.00 O ATOM 571 CB ASP A 41 -18.804 -9.710 0.592 1.00 0.00 C ATOM 572 CG ASP A 41 -19.251 -9.663 2.054 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.664 -10.731 2.555 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.168 -8.561 2.638 1.00 0.00 O ATOM 0 H ASP A 41 -16.836 -8.878 1.855 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.360 -11.305 0.607 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.869 -8.705 0.176 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.504 -10.332 0.034 1.00 0.00 H new ATOM 579 N ASP A 42 -17.455 -10.924 -1.946 1.00 0.00 N ATOM 580 CA ASP A 42 -17.181 -10.824 -3.370 1.00 0.00 C ATOM 581 C ASP A 42 -18.467 -10.449 -4.108 1.00 0.00 C ATOM 582 O ASP A 42 -18.424 -10.020 -5.260 1.00 0.00 O ATOM 583 CB ASP A 42 -16.686 -12.159 -3.931 1.00 0.00 C ATOM 584 CG ASP A 42 -15.842 -12.993 -2.965 1.00 0.00 C ATOM 585 OD1 ASP A 42 -14.980 -12.385 -2.295 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.078 -14.220 -2.919 1.00 0.00 O ATOM 0 H ASP A 42 -17.995 -11.745 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.411 -10.065 -3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.549 -12.749 -4.238 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.098 -11.964 -4.828 1.00 0.00 H new ATOM 591 N ASN A 43 -19.582 -10.623 -3.414 1.00 0.00 N ATOM 592 CA ASN A 43 -20.879 -10.308 -3.989 1.00 0.00 C ATOM 593 C ASN A 43 -21.092 -11.152 -5.247 1.00 0.00 C ATOM 594 O ASN A 43 -21.121 -10.622 -6.357 1.00 0.00 O ATOM 595 CB ASN A 43 -20.960 -8.833 -4.389 1.00 0.00 C ATOM 596 CG ASN A 43 -21.129 -7.940 -3.159 1.00 0.00 C ATOM 597 OD1 ASN A 43 -22.005 -7.093 -3.089 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.243 -8.174 -2.194 1.00 0.00 N ATOM 0 H ASN A 43 -19.614 -10.978 -2.458 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.642 -10.521 -3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.056 -8.549 -4.928 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.798 -8.683 -5.070 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.272 -7.629 -1.332 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.535 -8.898 -2.316 1.00 0.00 H new ATOM 605 N ASN A 44 -21.237 -12.451 -5.032 1.00 0.00 N ATOM 606 CA ASN A 44 -21.447 -13.373 -6.135 1.00 0.00 C ATOM 607 C ASN A 44 -20.186 -13.422 -7.000 1.00 0.00 C ATOM 608 O ASN A 44 -19.560 -14.473 -7.133 1.00 0.00 O ATOM 609 CB ASN A 44 -22.610 -12.918 -7.020 1.00 0.00 C ATOM 610 CG ASN A 44 -23.952 -13.355 -6.429 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.403 -14.475 -6.607 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.562 -12.412 -5.717 1.00 0.00 N ATOM 0 H ASN A 44 -21.213 -12.887 -4.110 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.675 -14.353 -5.716 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.590 -11.833 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.496 -13.336 -8.020 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.463 -12.606 -5.280 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.129 -11.495 -5.608 1.00 0.00 H new ATOM 619 N SER A 45 -19.851 -12.273 -7.567 1.00 0.00 N ATOM 620 CA SER A 45 -18.676 -12.172 -8.416 1.00 0.00 C ATOM 621 C SER A 45 -17.407 -12.270 -7.567 1.00 0.00 C ATOM 622 O SER A 45 -17.134 -11.393 -6.748 1.00 0.00 O ATOM 623 CB SER A 45 -18.682 -10.865 -9.212 1.00 0.00 C ATOM 624 OG SER A 45 -19.461 -10.968 -10.401 1.00 0.00 O ATOM 0 H SER A 45 -20.373 -11.404 -7.455 1.00 0.00 H new ATOM 0 HA SER A 45 -18.695 -12.999 -9.126 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.076 -10.063 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.659 -10.594 -9.471 1.00 0.00 H new ATOM 0 HG SER A 45 -20.320 -11.393 -10.194 1.00 0.00 H new ATOM 630 N PRO A 46 -16.645 -13.372 -7.797 1.00 0.00 N ATOM 631 CA PRO A 46 -15.411 -13.596 -7.063 1.00 0.00 C ATOM 632 C PRO A 46 -14.297 -12.677 -7.570 1.00 0.00 C ATOM 633 O PRO A 46 -14.185 -12.436 -8.771 1.00 0.00 O ATOM 634 CB PRO A 46 -15.099 -15.071 -7.258 1.00 0.00 C ATOM 635 CG PRO A 46 -15.908 -15.512 -8.467 1.00 0.00 C ATOM 636 CD PRO A 46 -16.936 -14.431 -8.760 1.00 0.00 C ATOM 0 HA PRO A 46 -15.503 -13.359 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.033 -15.226 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.371 -15.648 -6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.257 -15.663 -9.328 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.401 -16.464 -8.270 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.849 -14.069 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.952 -14.807 -8.640 1.00 0.00 H new ATOM 644 N ILE A 47 -13.501 -12.190 -6.629 1.00 0.00 N ATOM 645 CA ILE A 47 -12.400 -11.304 -6.965 1.00 0.00 C ATOM 646 C ILE A 47 -11.519 -11.971 -8.022 1.00 0.00 C ATOM 647 O ILE A 47 -11.313 -13.183 -7.989 1.00 0.00 O ATOM 648 CB ILE A 47 -11.641 -10.891 -5.703 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.705 -9.376 -5.495 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.200 -11.404 -5.737 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.068 -8.634 -6.671 1.00 0.00 C ATOM 0 H ILE A 47 -13.597 -12.393 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.775 -10.378 -7.401 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.128 -11.355 -4.845 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.743 -9.064 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.191 -9.110 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.683 -11.096 -4.828 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.203 -12.492 -5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.687 -10.989 -6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.127 -7.559 -6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.023 -8.930 -6.765 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.600 -8.883 -7.589 1.00 0.00 H new ATOM 663 N THR A 48 -11.021 -11.150 -8.936 1.00 0.00 N ATOM 664 CA THR A 48 -10.166 -11.645 -10.001 1.00 0.00 C ATOM 665 C THR A 48 -8.818 -10.922 -9.983 1.00 0.00 C ATOM 666 O THR A 48 -7.789 -11.512 -10.308 1.00 0.00 O ATOM 667 CB THR A 48 -10.921 -11.490 -11.323 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.313 -10.121 -11.341 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.245 -12.258 -11.335 1.00 0.00 C ATOM 0 H THR A 48 -11.194 -10.145 -8.960 1.00 0.00 H new ATOM 0 HA THR A 48 -9.934 -12.701 -9.864 1.00 0.00 H new ATOM 0 HB THR A 48 -10.292 -11.838 -12.143 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.338 -9.776 -10.424 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.740 -12.114 -12.295 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.051 -13.320 -11.182 1.00 0.00 H new ATOM 0 HG23 THR A 48 -12.888 -11.888 -10.536 1.00 0.00 H new ATOM 677 N LYS A 49 -8.867 -9.655 -9.599 1.00 0.00 N ATOM 678 CA LYS A 49 -7.663 -8.845 -9.534 1.00 0.00 C ATOM 679 C LYS A 49 -7.776 -7.863 -8.367 1.00 0.00 C ATOM 680 O LYS A 49 -8.875 -7.588 -7.887 1.00 0.00 O ATOM 681 CB LYS A 49 -7.397 -8.171 -10.882 1.00 0.00 C ATOM 682 CG LYS A 49 -6.830 -6.764 -10.688 1.00 0.00 C ATOM 683 CD LYS A 49 -6.566 -6.089 -12.036 1.00 0.00 C ATOM 684 CE LYS A 49 -7.870 -5.872 -12.805 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.780 -6.467 -14.157 1.00 0.00 N ATOM 0 H LYS A 49 -9.723 -9.169 -9.330 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.793 -9.472 -9.340 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.697 -8.773 -11.462 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.323 -8.118 -11.455 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.530 -6.163 -10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.904 -6.817 -10.116 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.070 -5.132 -11.876 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.888 -6.704 -12.628 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.700 -6.320 -12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.079 -4.805 -12.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.674 -6.311 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.001 -6.021 -14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.602 -7.488 -14.076 1.00 0.00 H new ATOM 699 N PHE A 50 -6.625 -7.361 -7.944 1.00 0.00 N ATOM 700 CA PHE A 50 -6.582 -6.415 -6.842 1.00 0.00 C ATOM 701 C PHE A 50 -5.632 -5.256 -7.151 1.00 0.00 C ATOM 702 O PHE A 50 -4.414 -5.410 -7.081 1.00 0.00 O ATOM 703 CB PHE A 50 -6.059 -7.174 -5.621 1.00 0.00 C ATOM 704 CG PHE A 50 -7.123 -8.008 -4.904 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.237 -7.407 -4.406 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.956 -9.350 -4.766 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.225 -8.181 -3.741 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.943 -10.124 -4.101 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.057 -9.523 -3.603 1.00 0.00 C ATOM 0 H PHE A 50 -5.716 -7.591 -8.344 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.575 -6.000 -6.669 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.248 -7.831 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.636 -6.459 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.370 -6.341 -4.516 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.072 -9.828 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.109 -7.704 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.809 -11.190 -3.991 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.808 -10.112 -3.098 1.00 0.00 H new ATOM 719 N ILE A 51 -6.226 -4.120 -7.488 1.00 0.00 N ATOM 720 CA ILE A 51 -5.448 -2.935 -7.809 1.00 0.00 C ATOM 721 C ILE A 51 -5.181 -2.144 -6.527 1.00 0.00 C ATOM 722 O ILE A 51 -5.966 -2.202 -5.582 1.00 0.00 O ATOM 723 CB ILE A 51 -6.141 -2.120 -8.902 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.322 -2.950 -10.174 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.389 -0.815 -9.172 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.799 -3.043 -10.563 1.00 0.00 C ATOM 0 H ILE A 51 -7.237 -3.995 -7.546 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.478 -3.215 -8.219 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.137 -1.852 -8.548 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.755 -2.501 -10.989 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.919 -3.951 -10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.902 -0.254 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.355 -0.219 -8.260 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.373 -1.041 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.899 -3.638 -11.470 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.359 -3.515 -9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.192 -2.042 -10.740 1.00 0.00 H new ATOM 738 N ILE A 52 -4.071 -1.421 -6.537 1.00 0.00 N ATOM 739 CA ILE A 52 -3.690 -0.618 -5.387 1.00 0.00 C ATOM 740 C ILE A 52 -3.346 0.798 -5.850 1.00 0.00 C ATOM 741 O ILE A 52 -3.076 1.021 -7.030 1.00 0.00 O ATOM 742 CB ILE A 52 -2.565 -1.300 -4.606 1.00 0.00 C ATOM 743 CG1 ILE A 52 -3.042 -2.619 -3.996 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.980 -0.359 -3.551 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.235 -3.800 -4.540 1.00 0.00 C ATOM 0 H ILE A 52 -3.423 -1.374 -7.323 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.524 -0.532 -4.690 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.762 -1.540 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.946 -2.578 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.099 -2.764 -4.217 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.183 -0.869 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.578 0.529 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.762 -0.066 -2.851 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.595 -4.725 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.353 -3.853 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.181 -3.664 -4.296 1.00 0.00 H new ATOM 757 N GLU A 53 -3.367 1.720 -4.898 1.00 0.00 N ATOM 758 CA GLU A 53 -3.061 3.109 -5.195 1.00 0.00 C ATOM 759 C GLU A 53 -2.571 3.825 -3.934 1.00 0.00 C ATOM 760 O GLU A 53 -2.924 3.440 -2.821 1.00 0.00 O ATOM 761 CB GLU A 53 -4.274 3.822 -5.794 1.00 0.00 C ATOM 762 CG GLU A 53 -4.449 3.461 -7.270 1.00 0.00 C ATOM 763 CD GLU A 53 -5.343 4.479 -7.982 1.00 0.00 C ATOM 764 OE1 GLU A 53 -5.068 5.688 -7.817 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.279 4.026 -8.674 1.00 0.00 O ATOM 0 H GLU A 53 -3.591 1.532 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.263 3.135 -5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.172 3.548 -5.240 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.153 4.900 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.475 3.424 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.886 2.466 -7.355 1.00 0.00 H new ATOM 772 N TYR A 54 -1.766 4.854 -4.152 1.00 0.00 N ATOM 773 CA TYR A 54 -1.224 5.627 -3.048 1.00 0.00 C ATOM 774 C TYR A 54 -1.265 7.126 -3.355 1.00 0.00 C ATOM 775 O TYR A 54 -1.349 7.523 -4.516 1.00 0.00 O ATOM 776 CB TYR A 54 0.235 5.189 -2.901 1.00 0.00 C ATOM 777 CG TYR A 54 1.178 5.810 -3.934 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.799 7.013 -3.666 1.00 0.00 C ATOM 779 CD2 TYR A 54 1.407 5.167 -5.134 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.686 7.597 -4.638 1.00 0.00 C ATOM 781 CE2 TYR A 54 2.294 5.751 -6.106 1.00 0.00 C ATOM 782 CZ TYR A 54 2.890 6.938 -5.810 1.00 0.00 C ATOM 783 OH TYR A 54 3.728 7.489 -6.728 1.00 0.00 O ATOM 0 H TYR A 54 -1.476 5.171 -5.077 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.805 5.458 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.584 5.451 -1.902 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.288 4.103 -2.982 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.620 7.516 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.921 4.226 -5.344 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.179 8.538 -4.441 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.482 5.258 -7.048 1.00 0.00 H new ATOM 0 HH TYR A 54 3.778 6.908 -7.515 1.00 0.00 H new ATOM 793 N GLU A 55 -1.204 7.917 -2.294 1.00 0.00 N ATOM 794 CA GLU A 55 -1.234 9.362 -2.435 1.00 0.00 C ATOM 795 C GLU A 55 -0.138 10.002 -1.580 1.00 0.00 C ATOM 796 O GLU A 55 0.151 9.531 -0.481 1.00 0.00 O ATOM 797 CB GLU A 55 -2.610 9.921 -2.069 1.00 0.00 C ATOM 798 CG GLU A 55 -3.081 9.378 -0.719 1.00 0.00 C ATOM 799 CD GLU A 55 -3.340 10.517 0.270 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.379 11.274 0.527 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.492 10.605 0.745 1.00 0.00 O ATOM 0 H GLU A 55 -1.134 7.584 -1.332 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.044 9.609 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.566 11.009 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.331 9.657 -2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.992 8.796 -0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.329 8.702 -0.312 1.00 0.00 H new ATOM 808 N ASP A 56 0.443 11.065 -2.118 1.00 0.00 N ATOM 809 CA ASP A 56 1.501 11.773 -1.418 1.00 0.00 C ATOM 810 C ASP A 56 0.883 12.853 -0.527 1.00 0.00 C ATOM 811 O ASP A 56 0.538 13.933 -1.003 1.00 0.00 O ATOM 812 CB ASP A 56 2.449 12.459 -2.403 1.00 0.00 C ATOM 813 CG ASP A 56 3.782 12.916 -1.806 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.806 13.141 -0.577 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.747 13.031 -2.593 1.00 0.00 O ATOM 0 H ASP A 56 0.201 11.453 -3.030 1.00 0.00 H new ATOM 0 HA ASP A 56 2.059 11.047 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.653 11.773 -3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.942 13.325 -2.828 1.00 0.00 H new ATOM 820 N ALA A 57 0.762 12.522 0.751 1.00 0.00 N ATOM 821 CA ALA A 57 0.191 13.450 1.712 1.00 0.00 C ATOM 822 C ALA A 57 1.247 14.486 2.103 1.00 0.00 C ATOM 823 O ALA A 57 0.914 15.560 2.601 1.00 0.00 O ATOM 824 CB ALA A 57 -0.338 12.673 2.920 1.00 0.00 C ATOM 0 H ALA A 57 1.049 11.625 1.142 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.651 13.986 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.766 13.369 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.105 11.971 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.480 12.125 3.387 1.00 0.00 H new ATOM 830 N MET A 58 2.500 14.127 1.863 1.00 0.00 N ATOM 831 CA MET A 58 3.607 15.012 2.184 1.00 0.00 C ATOM 832 C MET A 58 3.756 16.108 1.127 1.00 0.00 C ATOM 833 O MET A 58 4.574 17.014 1.278 1.00 0.00 O ATOM 834 CB MET A 58 4.902 14.202 2.265 1.00 0.00 C ATOM 835 CG MET A 58 6.118 15.122 2.388 1.00 0.00 C ATOM 836 SD MET A 58 7.559 14.173 2.845 1.00 0.00 S ATOM 837 CE MET A 58 7.337 14.107 4.615 1.00 0.00 C ATOM 0 H MET A 58 2.773 13.235 1.450 1.00 0.00 H new ATOM 0 HA MET A 58 3.403 15.484 3.145 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.862 13.530 3.122 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.001 13.579 1.376 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.294 15.633 1.442 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.927 15.892 3.136 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.723 13.161 4.995 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.876 14.932 5.080 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.276 14.188 4.852 1.00 0.00 H new ATOM 847 N HIS A 59 2.952 15.990 0.080 1.00 0.00 N ATOM 848 CA HIS A 59 2.985 16.960 -1.002 1.00 0.00 C ATOM 849 C HIS A 59 1.555 17.334 -1.399 1.00 0.00 C ATOM 850 O HIS A 59 1.116 18.459 -1.164 1.00 0.00 O ATOM 851 CB HIS A 59 3.808 16.433 -2.179 1.00 0.00 C ATOM 852 CG HIS A 59 5.278 16.268 -1.875 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.769 15.249 -1.077 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.358 17.002 -2.270 1.00 0.00 C ATOM 855 CE1 HIS A 59 7.086 15.375 -1.002 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.449 16.462 -1.741 1.00 0.00 N ATOM 0 H HIS A 59 2.274 15.238 -0.042 1.00 0.00 H new ATOM 0 HA HIS A 59 3.482 17.870 -0.665 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.402 15.471 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.696 17.115 -3.022 1.00 0.00 H new ATOM 0 HD1 HIS A 59 5.212 14.525 -0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.330 17.875 -2.906 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.755 14.730 -0.452 1.00 0.00 H new ATOM 864 N LYS A 60 0.869 16.369 -1.993 1.00 0.00 N ATOM 865 CA LYS A 60 -0.502 16.583 -2.425 1.00 0.00 C ATOM 866 C LYS A 60 -1.386 15.461 -1.877 1.00 0.00 C ATOM 867 O LYS A 60 -1.514 14.407 -2.499 1.00 0.00 O ATOM 868 CB LYS A 60 -0.568 16.730 -3.946 1.00 0.00 C ATOM 869 CG LYS A 60 -0.159 18.140 -4.379 1.00 0.00 C ATOM 870 CD LYS A 60 -1.189 18.740 -5.338 1.00 0.00 C ATOM 871 CE LYS A 60 -0.971 18.233 -6.764 1.00 0.00 C ATOM 872 NZ LYS A 60 -2.175 18.473 -7.590 1.00 0.00 N ATOM 0 H LYS A 60 1.237 15.437 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.887 17.519 -2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.089 15.997 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.580 16.519 -4.292 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.059 18.779 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.817 18.107 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.194 18.481 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.118 19.828 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.112 18.737 -7.208 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.742 17.168 -6.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.009 18.123 -8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.986 17.973 -7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.377 19.493 -7.622 1.00 0.00 H new ATOM 886 N PRO A 61 -1.988 15.732 -0.688 1.00 0.00 N ATOM 887 CA PRO A 61 -2.856 14.757 -0.050 1.00 0.00 C ATOM 888 C PRO A 61 -4.210 14.681 -0.758 1.00 0.00 C ATOM 889 O PRO A 61 -5.012 15.610 -0.673 1.00 0.00 O ATOM 890 CB PRO A 61 -2.967 15.215 1.395 1.00 0.00 C ATOM 891 CG PRO A 61 -2.540 16.675 1.403 1.00 0.00 C ATOM 892 CD PRO A 61 -1.859 16.969 0.077 1.00 0.00 C ATOM 0 HA PRO A 61 -2.460 13.743 -0.104 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.987 15.104 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.327 14.617 2.045 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.404 17.325 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -1.860 16.869 2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.336 17.804 -0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.813 17.239 0.220 1.00 0.00 H new ATOM 900 N GLY A 62 -4.423 13.566 -1.441 1.00 0.00 N ATOM 901 CA GLY A 62 -5.666 13.357 -2.164 1.00 0.00 C ATOM 902 C GLY A 62 -5.396 12.960 -3.616 1.00 0.00 C ATOM 903 O GLY A 62 -6.326 12.672 -4.368 1.00 0.00 O ATOM 0 H GLY A 62 -3.756 12.798 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.250 12.578 -1.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.264 14.268 -2.138 1.00 0.00 H new ATOM 907 N LEU A 63 -4.119 12.956 -3.967 1.00 0.00 N ATOM 908 CA LEU A 63 -3.714 12.599 -5.316 1.00 0.00 C ATOM 909 C LEU A 63 -3.266 11.136 -5.339 1.00 0.00 C ATOM 910 O LEU A 63 -2.147 10.819 -4.939 1.00 0.00 O ATOM 911 CB LEU A 63 -2.655 13.574 -5.834 1.00 0.00 C ATOM 912 CG LEU A 63 -2.593 13.752 -7.353 1.00 0.00 C ATOM 913 CD1 LEU A 63 -3.915 14.297 -7.896 1.00 0.00 C ATOM 914 CD2 LEU A 63 -1.404 14.628 -7.754 1.00 0.00 C ATOM 0 H LEU A 63 -3.350 13.194 -3.340 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.557 12.686 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.835 14.549 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.678 13.236 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.439 12.772 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.844 14.414 -8.977 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.720 13.602 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.125 15.264 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.383 14.739 -8.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.503 15.610 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.478 14.160 -7.419 1.00 0.00 H new ATOM 926 N TRP A 64 -4.164 10.283 -5.812 1.00 0.00 N ATOM 927 CA TRP A 64 -3.875 8.861 -5.892 1.00 0.00 C ATOM 928 C TRP A 64 -3.323 8.569 -7.289 1.00 0.00 C ATOM 929 O TRP A 64 -3.798 9.127 -8.277 1.00 0.00 O ATOM 930 CB TRP A 64 -5.114 8.030 -5.553 1.00 0.00 C ATOM 931 CG TRP A 64 -5.810 8.451 -4.257 1.00 0.00 C ATOM 932 CD1 TRP A 64 -6.691 9.445 -4.080 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.646 7.846 -2.958 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.106 9.525 -2.766 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.450 8.521 -2.062 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.846 6.764 -2.552 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.532 8.190 -0.704 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.938 6.445 -1.192 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.743 7.115 -0.277 1.00 0.00 C ATOM 0 H TRP A 64 -5.091 10.549 -6.143 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.124 8.578 -5.155 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.825 8.104 -6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.826 6.982 -5.475 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.033 10.101 -4.867 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.771 10.196 -2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.210 6.221 -3.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.169 8.734 -0.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.342 5.621 -0.828 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.759 6.808 0.758 1.00 0.00 H new ATOM 950 N HIS A 65 -2.328 7.695 -7.326 1.00 0.00 N ATOM 951 CA HIS A 65 -1.706 7.322 -8.586 1.00 0.00 C ATOM 952 C HIS A 65 -1.668 5.798 -8.708 1.00 0.00 C ATOM 953 O HIS A 65 -1.457 5.097 -7.719 1.00 0.00 O ATOM 954 CB HIS A 65 -0.323 7.962 -8.719 1.00 0.00 C ATOM 955 CG HIS A 65 -0.324 9.465 -8.565 1.00 0.00 C ATOM 956 ND1 HIS A 65 -0.518 10.327 -9.630 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.153 10.247 -7.461 1.00 0.00 C ATOM 958 CE1 HIS A 65 -0.464 11.571 -9.175 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.237 11.519 -7.832 1.00 0.00 N ATOM 0 H HIS A 65 -1.937 7.234 -6.504 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.300 7.703 -9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.339 7.531 -7.968 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.092 7.707 -9.694 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -0.676 10.052 -10.600 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.021 9.892 -6.456 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.580 12.468 -9.765 1.00 0.00 H new ATOM 967 N HIS A 66 -1.877 5.329 -9.929 1.00 0.00 N ATOM 968 CA HIS A 66 -1.869 3.900 -10.193 1.00 0.00 C ATOM 969 C HIS A 66 -0.586 3.281 -9.635 1.00 0.00 C ATOM 970 O HIS A 66 0.502 3.527 -10.152 1.00 0.00 O ATOM 971 CB HIS A 66 -2.060 3.622 -11.686 1.00 0.00 C ATOM 972 CG HIS A 66 -2.959 2.445 -11.981 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.700 1.168 -11.515 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.116 2.366 -12.699 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.664 0.364 -11.940 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.540 1.108 -12.674 1.00 0.00 N ATOM 0 H HIS A 66 -2.053 5.913 -10.747 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.710 3.429 -9.684 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.475 4.511 -12.161 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.085 3.444 -12.140 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.604 3.187 -13.202 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.742 -0.694 -11.740 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.382 0.756 -13.129 1.00 0.00 H new ATOM 984 N GLN A 67 -0.757 2.490 -8.586 1.00 0.00 N ATOM 985 CA GLN A 67 0.374 1.835 -7.951 1.00 0.00 C ATOM 986 C GLN A 67 0.678 0.508 -8.649 1.00 0.00 C ATOM 987 O GLN A 67 1.611 0.421 -9.447 1.00 0.00 O ATOM 988 CB GLN A 67 0.118 1.623 -6.458 1.00 0.00 C ATOM 989 CG GLN A 67 1.281 0.875 -5.802 1.00 0.00 C ATOM 990 CD GLN A 67 2.121 1.817 -4.937 1.00 0.00 C ATOM 991 OE1 GLN A 67 1.684 2.317 -3.914 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.348 2.032 -5.404 1.00 0.00 N ATOM 0 H GLN A 67 -1.661 2.288 -8.160 1.00 0.00 H new ATOM 0 HA GLN A 67 1.245 2.483 -8.048 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.021 2.587 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.805 1.060 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.895 0.061 -5.189 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.909 0.425 -6.571 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.651 1.582 -6.267 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.986 2.647 -4.899 1.00 0.00 H new ATOM 1001 N THR A 68 -0.126 -0.494 -8.323 1.00 0.00 N ATOM 1002 CA THR A 68 0.046 -1.812 -8.908 1.00 0.00 C ATOM 1003 C THR A 68 -1.139 -2.712 -8.553 1.00 0.00 C ATOM 1004 O THR A 68 -1.801 -2.500 -7.538 1.00 0.00 O ATOM 1005 CB THR A 68 1.392 -2.367 -8.439 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.571 -3.548 -9.215 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.346 -2.873 -6.995 1.00 0.00 C ATOM 0 H THR A 68 -0.898 -0.419 -7.661 1.00 0.00 H new ATOM 0 HA THR A 68 0.061 -1.762 -9.997 1.00 0.00 H new ATOM 0 HB THR A 68 2.154 -1.593 -8.528 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.422 -3.971 -8.976 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.327 -3.256 -6.712 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.071 -2.053 -6.331 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.607 -3.670 -6.912 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.371 -3.697 -9.408 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.465 -4.630 -9.196 1.00 0.00 C ATOM 1017 C GLU A 69 -1.952 -6.071 -9.254 1.00 0.00 C ATOM 1018 O GLU A 69 -0.885 -6.332 -9.807 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.582 -4.404 -10.216 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.060 -4.561 -11.646 1.00 0.00 C ATOM 1021 CD GLU A 69 -4.020 -3.924 -12.653 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -4.199 -2.690 -12.565 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -4.552 -4.686 -13.489 1.00 0.00 O ATOM 0 H GLU A 69 -0.820 -3.869 -10.249 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.882 -4.453 -8.204 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.389 -5.115 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.002 -3.406 -10.086 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.077 -4.097 -11.731 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.934 -5.619 -11.877 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.737 -6.967 -8.675 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.376 -8.375 -8.653 1.00 0.00 C ATOM 1032 C VAL A 70 -3.611 -9.219 -8.975 1.00 0.00 C ATOM 1033 O VAL A 70 -4.673 -8.679 -9.281 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.743 -8.732 -7.307 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.221 -8.837 -7.428 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.138 -7.721 -6.229 1.00 0.00 C ATOM 0 H VAL A 70 -3.621 -6.746 -8.218 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.628 -8.589 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.124 -9.708 -7.006 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.204 -9.092 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.034 -9.612 -8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.184 -7.882 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.674 -7.999 -5.282 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.800 -6.727 -6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.222 -7.716 -6.114 1.00 0.00 H new ATOM 1046 N SER A 71 -3.430 -10.529 -8.896 1.00 0.00 N ATOM 1047 CA SER A 71 -4.517 -11.452 -9.175 1.00 0.00 C ATOM 1048 C SER A 71 -5.576 -11.362 -8.075 1.00 0.00 C ATOM 1049 O SER A 71 -5.440 -10.574 -7.140 1.00 0.00 O ATOM 1050 CB SER A 71 -4.001 -12.888 -9.299 1.00 0.00 C ATOM 1051 OG SER A 71 -4.254 -13.436 -10.590 1.00 0.00 O ATOM 0 H SER A 71 -2.547 -10.973 -8.643 1.00 0.00 H new ATOM 0 HA SER A 71 -4.968 -11.172 -10.127 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.929 -12.907 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.476 -13.511 -8.541 1.00 0.00 H new ATOM 0 HG SER A 71 -3.909 -14.352 -10.630 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.608 -12.181 -8.222 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.689 -12.203 -7.252 1.00 0.00 C ATOM 1059 C GLY A 72 -7.544 -13.388 -6.296 1.00 0.00 C ATOM 1060 O GLY A 72 -8.507 -13.784 -5.641 1.00 0.00 O ATOM 0 H GLY A 72 -6.718 -12.834 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.692 -11.272 -6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.646 -12.264 -7.770 1.00 0.00 H new ATOM 1064 N THR A 73 -6.332 -13.922 -6.246 1.00 0.00 N ATOM 1065 CA THR A 73 -6.048 -15.054 -5.380 1.00 0.00 C ATOM 1066 C THR A 73 -5.078 -14.647 -4.270 1.00 0.00 C ATOM 1067 O THR A 73 -5.120 -15.196 -3.171 1.00 0.00 O ATOM 1068 CB THR A 73 -5.527 -16.198 -6.253 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.662 -17.040 -6.437 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.520 -17.084 -5.517 1.00 0.00 C ATOM 0 H THR A 73 -5.536 -13.592 -6.791 1.00 0.00 H new ATOM 0 HA THR A 73 -6.948 -15.398 -4.871 1.00 0.00 H new ATOM 0 HB THR A 73 -5.062 -15.788 -7.149 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.413 -17.807 -6.994 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.182 -17.880 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.665 -16.483 -5.206 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.994 -17.522 -4.639 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.226 -13.686 -4.596 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.246 -13.198 -3.640 1.00 0.00 C ATOM 1080 C GLN A 74 -3.846 -12.076 -2.791 1.00 0.00 C ATOM 1081 O GLN A 74 -4.948 -11.604 -3.068 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.974 -12.729 -4.349 1.00 0.00 C ATOM 1083 CG GLN A 74 -2.186 -11.364 -5.009 1.00 0.00 C ATOM 1084 CD GLN A 74 -1.179 -10.339 -4.484 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -1.466 -9.539 -3.609 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.016 -10.408 -5.066 1.00 0.00 N ATOM 0 H GLN A 74 -4.194 -13.232 -5.509 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.972 -14.020 -2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.155 -12.667 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.683 -13.460 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.084 -11.459 -6.090 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.200 -11.015 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.190 -11.102 -5.793 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.758 -9.767 -4.785 1.00 0.00 H new ATOM 1095 N THR A 75 -3.096 -11.681 -1.773 1.00 0.00 N ATOM 1096 CA THR A 75 -3.540 -10.623 -0.882 1.00 0.00 C ATOM 1097 C THR A 75 -2.346 -9.799 -0.395 1.00 0.00 C ATOM 1098 O THR A 75 -2.452 -9.066 0.587 1.00 0.00 O ATOM 1099 CB THR A 75 -4.338 -11.266 0.254 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.487 -12.305 0.731 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.581 -12.003 -0.248 1.00 0.00 C ATOM 0 H THR A 75 -2.183 -12.075 -1.545 1.00 0.00 H new ATOM 0 HA THR A 75 -4.192 -9.918 -1.399 1.00 0.00 H new ATOM 0 HB THR A 75 -4.635 -10.498 0.969 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.926 -12.774 1.471 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.111 -12.441 0.598 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.237 -11.301 -0.763 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.282 -12.793 -0.937 1.00 0.00 H new ATOM 1109 N THR A 76 -1.237 -9.948 -1.104 1.00 0.00 N ATOM 1110 CA THR A 76 -0.024 -9.227 -0.757 1.00 0.00 C ATOM 1111 C THR A 76 0.693 -8.749 -2.021 1.00 0.00 C ATOM 1112 O THR A 76 0.964 -9.541 -2.923 1.00 0.00 O ATOM 1113 CB THR A 76 0.835 -10.141 0.120 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.706 -11.424 -0.486 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.248 -10.329 1.520 1.00 0.00 C ATOM 0 H THR A 76 -1.153 -10.558 -1.917 1.00 0.00 H new ATOM 0 HA THR A 76 -0.250 -8.325 -0.189 1.00 0.00 H new ATOM 0 HB THR A 76 1.840 -9.727 0.201 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.751 -11.331 -1.461 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.896 -10.986 2.101 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.173 -9.361 2.016 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.744 -10.774 1.442 1.00 0.00 H new ATOM 1123 N ALA A 77 0.980 -7.456 -2.047 1.00 0.00 N ATOM 1124 CA ALA A 77 1.660 -6.863 -3.186 1.00 0.00 C ATOM 1125 C ALA A 77 2.747 -5.910 -2.686 1.00 0.00 C ATOM 1126 O ALA A 77 2.742 -5.513 -1.521 1.00 0.00 O ATOM 1127 CB ALA A 77 0.638 -6.163 -4.084 1.00 0.00 C ATOM 0 H ALA A 77 0.754 -6.802 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 77 2.147 -7.632 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.148 -5.718 -4.938 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.094 -6.889 -4.437 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.131 -5.382 -3.518 1.00 0.00 H new ATOM 1133 N GLN A 78 3.653 -5.569 -3.591 1.00 0.00 N ATOM 1134 CA GLN A 78 4.744 -4.669 -3.256 1.00 0.00 C ATOM 1135 C GLN A 78 4.487 -3.281 -3.846 1.00 0.00 C ATOM 1136 O GLN A 78 3.864 -3.156 -4.899 1.00 0.00 O ATOM 1137 CB GLN A 78 6.084 -5.230 -3.735 1.00 0.00 C ATOM 1138 CG GLN A 78 6.644 -6.243 -2.735 1.00 0.00 C ATOM 1139 CD GLN A 78 7.425 -7.347 -3.451 1.00 0.00 C ATOM 1140 OE1 GLN A 78 8.643 -7.338 -3.517 1.00 0.00 O ATOM 1141 NE2 GLN A 78 6.658 -8.294 -3.982 1.00 0.00 N ATOM 0 H GLN A 78 3.654 -5.900 -4.556 1.00 0.00 H new ATOM 0 HA GLN A 78 4.794 -4.577 -2.171 1.00 0.00 H new ATOM 0 HB2 GLN A 78 5.956 -5.706 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.796 -4.416 -3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.295 -5.735 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.828 -6.683 -2.162 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.644 -8.240 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.084 -9.075 -4.482 1.00 0.00 H new ATOM 1150 N LEU A 79 4.981 -2.273 -3.142 1.00 0.00 N ATOM 1151 CA LEU A 79 4.813 -0.899 -3.583 1.00 0.00 C ATOM 1152 C LEU A 79 6.185 -0.232 -3.692 1.00 0.00 C ATOM 1153 O LEU A 79 6.910 -0.130 -2.704 1.00 0.00 O ATOM 1154 CB LEU A 79 3.839 -0.157 -2.665 1.00 0.00 C ATOM 1155 CG LEU A 79 2.594 -0.936 -2.237 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.813 -1.433 -3.456 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.961 -2.078 -1.287 1.00 0.00 C ATOM 0 H LEU A 79 5.498 -2.381 -2.269 1.00 0.00 H new ATOM 0 HA LEU A 79 4.364 -0.869 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.378 0.149 -1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.517 0.754 -3.170 1.00 0.00 H new ATOM 0 HG LEU A 79 1.939 -0.259 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.933 -1.984 -3.124 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.502 -0.581 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.448 -2.089 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.058 -2.615 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.646 -2.762 -1.788 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.441 -1.671 -0.397 1.00 0.00 H new ATOM 1169 N ASN A 80 6.500 0.206 -4.902 1.00 0.00 N ATOM 1170 CA ASN A 80 7.773 0.861 -5.153 1.00 0.00 C ATOM 1171 C ASN A 80 7.693 2.316 -4.688 1.00 0.00 C ATOM 1172 O ASN A 80 7.051 3.144 -5.333 1.00 0.00 O ATOM 1173 CB ASN A 80 8.108 0.860 -6.646 1.00 0.00 C ATOM 1174 CG ASN A 80 8.925 -0.377 -7.023 1.00 0.00 C ATOM 1175 OD1 ASN A 80 8.474 -1.506 -6.923 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.151 -0.103 -7.462 1.00 0.00 N ATOM 0 H ASN A 80 5.896 0.120 -5.719 1.00 0.00 H new ATOM 0 HA ASN A 80 8.545 0.317 -4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.187 0.884 -7.229 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.668 1.761 -6.897 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.775 -0.861 -7.739 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.467 0.865 -7.521 1.00 0.00 H new ATOM 1183 N LEU A 81 8.355 2.585 -3.572 1.00 0.00 N ATOM 1184 CA LEU A 81 8.367 3.926 -3.013 1.00 0.00 C ATOM 1185 C LEU A 81 9.813 4.353 -2.754 1.00 0.00 C ATOM 1186 O LEU A 81 10.715 3.517 -2.728 1.00 0.00 O ATOM 1187 CB LEU A 81 7.473 3.998 -1.773 1.00 0.00 C ATOM 1188 CG LEU A 81 6.876 2.671 -1.299 1.00 0.00 C ATOM 1189 CD1 LEU A 81 7.289 2.368 0.142 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.356 2.660 -1.474 1.00 0.00 C ATOM 0 H LEU A 81 8.887 1.897 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 81 7.946 4.638 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.053 4.425 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.655 4.689 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 81 7.278 1.873 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.851 1.420 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.375 2.304 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.935 3.164 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.957 1.706 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.917 3.469 -0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.110 2.797 -2.527 1.00 0.00 H new ATOM 1202 N SER A 82 9.988 5.653 -2.569 1.00 0.00 N ATOM 1203 CA SER A 82 11.310 6.201 -2.313 1.00 0.00 C ATOM 1204 C SER A 82 11.404 6.684 -0.864 1.00 0.00 C ATOM 1205 O SER A 82 10.393 6.777 -0.170 1.00 0.00 O ATOM 1206 CB SER A 82 11.627 7.346 -3.276 1.00 0.00 C ATOM 1207 OG SER A 82 12.519 6.941 -4.311 1.00 0.00 O ATOM 0 H SER A 82 9.237 6.343 -2.591 1.00 0.00 H new ATOM 0 HA SER A 82 12.045 5.412 -2.475 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.701 7.714 -3.719 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.067 8.175 -2.722 1.00 0.00 H new ATOM 0 HG SER A 82 12.695 7.699 -4.906 1.00 0.00 H new ATOM 1213 N PRO A 83 12.660 6.988 -0.440 1.00 0.00 N ATOM 1214 CA PRO A 83 12.899 7.459 0.913 1.00 0.00 C ATOM 1215 C PRO A 83 12.456 8.915 1.073 1.00 0.00 C ATOM 1216 O PRO A 83 12.473 9.682 0.111 1.00 0.00 O ATOM 1217 CB PRO A 83 14.389 7.264 1.140 1.00 0.00 C ATOM 1218 CG PRO A 83 15.007 7.127 -0.242 1.00 0.00 C ATOM 1219 CD PRO A 83 13.881 6.890 -1.234 1.00 0.00 C ATOM 0 HA PRO A 83 12.321 6.911 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.816 8.111 1.677 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.579 6.376 1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.562 8.028 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.715 6.299 -0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.894 7.632 -2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.969 5.911 -1.706 1.00 0.00 H new ATOM 1227 N TYR A 84 12.070 9.252 2.295 1.00 0.00 N ATOM 1228 CA TYR A 84 11.623 10.602 2.593 1.00 0.00 C ATOM 1229 C TYR A 84 10.414 10.981 1.735 1.00 0.00 C ATOM 1230 O TYR A 84 10.447 11.979 1.016 1.00 0.00 O ATOM 1231 CB TYR A 84 12.794 11.522 2.238 1.00 0.00 C ATOM 1232 CG TYR A 84 14.135 11.077 2.825 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.442 11.365 4.139 1.00 0.00 C ATOM 1234 CD2 TYR A 84 15.037 10.388 2.041 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.704 10.947 4.692 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.299 9.970 2.594 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.570 10.270 3.892 1.00 0.00 C ATOM 1238 OH TYR A 84 17.762 9.875 4.414 1.00 0.00 O ATOM 0 H TYR A 84 12.058 8.613 3.090 1.00 0.00 H new ATOM 0 HA TYR A 84 11.327 10.686 3.639 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.884 11.576 1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.571 12.529 2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.736 11.904 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.797 10.162 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.957 11.166 5.719 1.00 0.00 H new ATOM 0 HE2 TYR A 84 17.014 9.430 1.991 1.00 0.00 H new ATOM 0 HH TYR A 84 18.278 9.401 3.729 1.00 0.00 H new ATOM 1248 N VAL A 85 9.375 10.165 1.840 1.00 0.00 N ATOM 1249 CA VAL A 85 8.158 10.403 1.084 1.00 0.00 C ATOM 1250 C VAL A 85 6.987 9.702 1.777 1.00 0.00 C ATOM 1251 O VAL A 85 6.923 8.474 1.805 1.00 0.00 O ATOM 1252 CB VAL A 85 8.348 9.955 -0.367 1.00 0.00 C ATOM 1253 CG1 VAL A 85 7.051 10.114 -1.164 1.00 0.00 C ATOM 1254 CG2 VAL A 85 9.496 10.719 -1.030 1.00 0.00 C ATOM 0 H VAL A 85 9.351 9.339 2.437 1.00 0.00 H new ATOM 0 HA VAL A 85 7.928 11.468 1.055 1.00 0.00 H new ATOM 0 HB VAL A 85 8.609 8.897 -0.360 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.213 9.789 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.268 9.506 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.747 11.161 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.610 10.382 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.276 11.787 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.420 10.533 -0.483 1.00 0.00 H new ATOM 1264 N ASN A 86 6.091 10.514 2.319 1.00 0.00 N ATOM 1265 CA ASN A 86 4.926 9.988 3.010 1.00 0.00 C ATOM 1266 C ASN A 86 3.794 9.775 2.003 1.00 0.00 C ATOM 1267 O ASN A 86 3.817 10.339 0.910 1.00 0.00 O ATOM 1268 CB ASN A 86 4.432 10.964 4.078 1.00 0.00 C ATOM 1269 CG ASN A 86 3.461 10.278 5.042 1.00 0.00 C ATOM 1270 OD1 ASN A 86 3.620 9.125 5.407 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.450 11.049 5.431 1.00 0.00 N ATOM 0 H ASN A 86 6.148 11.532 2.294 1.00 0.00 H new ATOM 0 HA ASN A 86 5.211 9.049 3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.282 11.361 4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.939 11.811 3.601 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.748 10.683 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.377 12.006 5.087 1.00 0.00 H new ATOM 1278 N TYR A 87 2.831 8.960 2.407 1.00 0.00 N ATOM 1279 CA TYR A 87 1.692 8.667 1.553 1.00 0.00 C ATOM 1280 C TYR A 87 0.861 7.516 2.125 1.00 0.00 C ATOM 1281 O TYR A 87 1.296 6.830 3.048 1.00 0.00 O ATOM 1282 CB TYR A 87 2.275 8.238 0.205 1.00 0.00 C ATOM 1283 CG TYR A 87 3.652 7.580 0.303 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.868 6.564 1.212 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.679 8.003 -0.516 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.165 5.945 1.304 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.976 7.384 -0.424 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.155 6.385 0.482 1.00 0.00 C ATOM 1289 OH TYR A 87 7.379 5.800 0.569 1.00 0.00 O ATOM 0 H TYR A 87 2.816 8.493 3.314 1.00 0.00 H new ATOM 0 HA TYR A 87 1.041 9.537 1.469 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.585 7.543 -0.273 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.347 9.112 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.065 6.233 1.854 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.510 8.799 -1.226 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.347 5.149 2.010 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.788 7.705 -1.060 1.00 0.00 H new ATOM 0 HH TYR A 87 7.436 5.283 1.400 1.00 0.00 H new ATOM 1299 N SER A 88 -0.321 7.340 1.552 1.00 0.00 N ATOM 1300 CA SER A 88 -1.217 6.285 1.993 1.00 0.00 C ATOM 1301 C SER A 88 -1.264 5.168 0.948 1.00 0.00 C ATOM 1302 O SER A 88 -0.585 5.242 -0.076 1.00 0.00 O ATOM 1303 CB SER A 88 -2.623 6.829 2.253 1.00 0.00 C ATOM 1304 OG SER A 88 -3.472 6.677 1.119 1.00 0.00 O ATOM 0 H SER A 88 -0.679 7.911 0.786 1.00 0.00 H new ATOM 0 HA SER A 88 -0.835 5.881 2.930 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.061 6.310 3.106 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.560 7.884 2.520 1.00 0.00 H new ATOM 0 HG SER A 88 -4.125 7.408 1.099 1.00 0.00 H new ATOM 1310 N PHE A 89 -2.073 4.161 1.241 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.218 3.031 0.339 1.00 0.00 C ATOM 1312 C PHE A 89 -3.659 2.516 0.332 1.00 0.00 C ATOM 1313 O PHE A 89 -4.198 2.155 1.377 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.297 1.924 0.857 1.00 0.00 C ATOM 1315 CG PHE A 89 0.193 2.261 0.763 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.891 1.949 -0.362 1.00 0.00 C ATOM 1317 CD2 PHE A 89 0.819 2.871 1.805 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.273 2.261 -0.448 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.201 3.183 1.718 1.00 0.00 C ATOM 1320 CZ PHE A 89 2.900 2.871 0.593 1.00 0.00 C ATOM 0 H PHE A 89 -2.635 4.104 2.090 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.962 3.331 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.547 1.714 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.489 1.011 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.394 1.464 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.265 3.118 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.827 2.014 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.698 3.668 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.952 3.108 0.527 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.242 2.500 -0.858 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.610 2.036 -1.015 1.00 0.00 C ATOM 1332 C ARG A 90 -5.653 0.810 -1.929 1.00 0.00 C ATOM 1333 O ARG A 90 -5.050 0.809 -3.001 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.500 3.133 -1.602 1.00 0.00 C ATOM 1335 CG ARG A 90 -6.141 3.405 -3.065 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.995 4.538 -3.637 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.456 4.187 -4.998 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.320 4.923 -5.712 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.820 6.054 -5.198 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.682 4.527 -6.940 1.00 0.00 N ATOM 0 H ARG A 90 -3.792 2.801 -1.722 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.985 1.770 -0.027 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.546 2.835 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.388 4.048 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -5.085 3.666 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.289 2.500 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.853 4.720 -2.989 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.416 5.461 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.094 3.332 -5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.544 6.355 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.477 6.614 -5.741 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.300 3.666 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.339 5.087 -7.483 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.371 -0.205 -1.471 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.501 -1.435 -2.235 1.00 0.00 C ATOM 1356 C VAL A 91 -7.877 -1.474 -2.902 1.00 0.00 C ATOM 1357 O VAL A 91 -8.852 -0.966 -2.350 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.240 -2.642 -1.331 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.402 -3.951 -2.105 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.856 -2.554 -0.684 1.00 0.00 C ATOM 0 H VAL A 91 -6.869 -0.201 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.755 -1.472 -3.029 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.983 -2.630 -0.534 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.211 -4.793 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.417 -4.020 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.693 -3.974 -2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.696 -3.424 -0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.092 -2.528 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.793 -1.647 -0.083 1.00 0.00 H new ATOM 1370 N MET A 92 -7.912 -2.081 -4.079 1.00 0.00 N ATOM 1371 CA MET A 92 -9.153 -2.192 -4.827 1.00 0.00 C ATOM 1372 C MET A 92 -9.371 -3.625 -5.316 1.00 0.00 C ATOM 1373 O MET A 92 -8.411 -4.361 -5.541 1.00 0.00 O ATOM 1374 CB MET A 92 -9.113 -1.243 -6.026 1.00 0.00 C ATOM 1375 CG MET A 92 -9.238 0.214 -5.576 1.00 0.00 C ATOM 1376 SD MET A 92 -8.081 1.232 -6.478 1.00 0.00 S ATOM 1377 CE MET A 92 -6.551 0.702 -5.727 1.00 0.00 C ATOM 0 H MET A 92 -7.101 -2.501 -4.533 1.00 0.00 H new ATOM 0 HA MET A 92 -9.979 -1.923 -4.168 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.180 -1.380 -6.572 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.923 -1.486 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.255 0.569 -5.743 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.045 0.291 -4.506 1.00 0.00 H new ATOM 0 HE1 MET A 92 -5.937 1.573 -5.498 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.766 0.158 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.014 0.051 -6.416 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.639 -3.978 -5.467 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.995 -5.310 -5.926 1.00 0.00 C ATOM 1389 C ALA A 93 -11.787 -5.200 -7.231 1.00 0.00 C ATOM 1390 O ALA A 93 -12.678 -4.361 -7.352 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.777 -6.036 -4.829 1.00 0.00 C ATOM 0 H ALA A 93 -11.432 -3.365 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.100 -5.897 -6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.044 -7.035 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.161 -6.113 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.684 -5.477 -4.598 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.433 -6.060 -8.175 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.099 -6.071 -9.466 1.00 0.00 C ATOM 1399 C VAL A 94 -12.539 -7.498 -9.796 1.00 0.00 C ATOM 1400 O VAL A 94 -11.751 -8.436 -9.687 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.183 -5.466 -10.532 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -11.988 -5.006 -11.749 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.355 -4.316 -9.955 1.00 0.00 C ATOM 0 H VAL A 94 -10.693 -6.754 -8.071 1.00 0.00 H new ATOM 0 HA VAL A 94 -12.996 -5.453 -9.438 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.493 -6.243 -10.861 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.313 -4.580 -12.492 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.512 -5.858 -12.182 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.713 -4.252 -11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.713 -3.904 -10.733 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.022 -3.537 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.740 -4.686 -9.135 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.797 -7.618 -10.194 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.352 -8.915 -10.541 1.00 0.00 C ATOM 1415 C ASN A 95 -15.099 -8.806 -11.872 1.00 0.00 C ATOM 1416 O ASN A 95 -14.968 -7.810 -12.581 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.345 -9.392 -9.479 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.568 -8.474 -9.421 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.818 -7.673 -10.307 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.314 -8.634 -8.331 1.00 0.00 N ATOM 0 H ASN A 95 -14.448 -6.838 -10.284 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.529 -9.626 -10.610 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.661 -10.411 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.857 -9.416 -8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.152 -8.068 -8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.048 -9.323 -7.628 1.00 0.00 H new ATOM 1427 N SER A 96 -15.867 -9.844 -12.170 1.00 0.00 N ATOM 1428 CA SER A 96 -16.635 -9.878 -13.403 1.00 0.00 C ATOM 1429 C SER A 96 -17.423 -8.577 -13.563 1.00 0.00 C ATOM 1430 O SER A 96 -17.495 -8.021 -14.658 1.00 0.00 O ATOM 1431 CB SER A 96 -17.581 -11.079 -13.430 1.00 0.00 C ATOM 1432 OG SER A 96 -17.089 -12.128 -14.259 1.00 0.00 O ATOM 0 H SER A 96 -15.974 -10.668 -11.578 1.00 0.00 H new ATOM 0 HA SER A 96 -15.940 -9.980 -14.237 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.720 -11.454 -12.416 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.560 -10.761 -13.790 1.00 0.00 H new ATOM 0 HG SER A 96 -17.721 -12.877 -14.248 1.00 0.00 H new ATOM 1438 N ILE A 97 -17.996 -8.128 -12.456 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.776 -6.903 -12.460 1.00 0.00 C ATOM 1440 C ILE A 97 -17.884 -5.736 -12.888 1.00 0.00 C ATOM 1441 O ILE A 97 -17.842 -5.382 -14.065 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.453 -6.694 -11.103 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.279 -7.920 -10.708 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.290 -5.413 -11.099 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.671 -7.871 -11.343 1.00 0.00 C ATOM 0 H ILE A 97 -17.935 -8.592 -11.549 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.585 -6.970 -13.187 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.676 -6.573 -10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.763 -8.827 -11.023 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.372 -7.966 -9.623 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.760 -5.288 -10.123 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.647 -4.557 -11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.061 -5.479 -11.867 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.238 -8.754 -11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.193 -6.975 -11.007 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.575 -7.849 -12.429 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.193 -5.172 -11.909 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.304 -4.052 -12.169 1.00 0.00 C ATOM 1459 C GLY A 98 -15.280 -3.891 -11.043 1.00 0.00 C ATOM 1460 O GLY A 98 -14.942 -4.859 -10.364 1.00 0.00 O ATOM 0 H GLY A 98 -17.230 -5.469 -10.934 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.787 -4.206 -13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.887 -3.136 -12.269 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.816 -2.661 -10.881 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.838 -2.360 -9.849 1.00 0.00 C ATOM 1466 C LYS A 99 -14.526 -1.615 -8.703 1.00 0.00 C ATOM 1467 O LYS A 99 -15.023 -0.506 -8.888 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.646 -1.608 -10.444 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.665 -1.182 -9.349 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.001 0.151 -9.696 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.083 0.007 -10.912 1.00 0.00 C ATOM 1472 NZ LYS A 99 -8.848 0.799 -10.727 1.00 0.00 N ATOM 0 H LYS A 99 -15.099 -1.861 -11.447 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.429 -3.280 -9.431 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.135 -2.243 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.998 -0.729 -10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.191 -1.094 -8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.902 -1.950 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.766 0.900 -9.900 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.426 0.508 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.830 -1.043 -11.061 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.604 0.340 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.237 0.689 -11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -9.094 1.802 -10.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.343 0.463 -9.882 1.00 0.00 H new ATOM 1486 N SER A 100 -14.531 -2.256 -7.543 1.00 0.00 N ATOM 1487 CA SER A 100 -15.149 -1.668 -6.366 1.00 0.00 C ATOM 1488 C SER A 100 -14.403 -0.394 -5.964 1.00 0.00 C ATOM 1489 O SER A 100 -13.461 0.017 -6.640 1.00 0.00 O ATOM 1490 CB SER A 100 -15.172 -2.660 -5.202 1.00 0.00 C ATOM 1491 OG SER A 100 -13.867 -2.906 -4.685 1.00 0.00 O ATOM 0 H SER A 100 -14.117 -3.176 -7.393 1.00 0.00 H new ATOM 0 HA SER A 100 -16.180 -1.415 -6.612 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.810 -2.272 -4.408 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.613 -3.599 -5.535 1.00 0.00 H new ATOM 0 HG SER A 100 -13.877 -3.725 -4.148 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.852 0.195 -4.866 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.239 1.413 -4.366 1.00 0.00 C ATOM 1499 C LEU A 101 -12.912 1.069 -3.685 1.00 0.00 C ATOM 1500 O LEU A 101 -12.679 -0.081 -3.318 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.214 2.173 -3.464 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.325 2.946 -4.178 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.346 3.489 -3.176 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.743 4.052 -5.061 1.00 0.00 C ATOM 0 H LEU A 101 -15.634 -0.149 -4.308 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.010 2.089 -5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.676 1.461 -2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.643 2.875 -2.856 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.855 2.256 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.125 4.034 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.794 2.660 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.848 4.160 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.554 4.586 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.174 4.748 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.087 3.611 -5.811 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.055 2.114 -3.535 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.758 1.934 -2.905 1.00 0.00 C ATOM 1518 C PRO A 102 -10.901 1.787 -1.389 1.00 0.00 C ATOM 1519 O PRO A 102 -11.695 2.490 -0.765 1.00 0.00 O ATOM 1520 CB PRO A 102 -9.951 3.156 -3.310 1.00 0.00 C ATOM 1521 CG PRO A 102 -10.965 4.195 -3.762 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.298 3.490 -3.958 1.00 0.00 C ATOM 0 HA PRO A 102 -10.258 1.020 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.358 3.527 -2.474 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.254 2.915 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.057 4.987 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.642 4.665 -4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.083 3.955 -3.362 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.620 3.534 -4.999 1.00 0.00 H new ATOM 1530 N SER A 103 -10.119 0.869 -0.839 1.00 0.00 N ATOM 1531 CA SER A 103 -10.148 0.621 0.592 1.00 0.00 C ATOM 1532 C SER A 103 -10.144 1.948 1.353 1.00 0.00 C ATOM 1533 O SER A 103 -9.627 2.949 0.860 1.00 0.00 O ATOM 1534 CB SER A 103 -8.963 -0.244 1.025 1.00 0.00 C ATOM 1535 OG SER A 103 -7.725 0.453 0.914 1.00 0.00 O ATOM 0 H SER A 103 -9.461 0.288 -1.359 1.00 0.00 H new ATOM 0 HA SER A 103 -11.064 0.078 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.107 -0.566 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.928 -1.145 0.412 1.00 0.00 H new ATOM 0 HG SER A 103 -7.648 1.102 1.644 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.726 1.913 2.543 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.795 3.100 3.378 1.00 0.00 C ATOM 1543 C GLU A 104 -9.532 3.946 3.204 1.00 0.00 C ATOM 1544 O GLU A 104 -9.579 5.025 2.616 1.00 0.00 O ATOM 1545 CB GLU A 104 -11.008 2.727 4.846 1.00 0.00 C ATOM 1546 CG GLU A 104 -12.351 2.022 5.044 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.572 1.666 6.515 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.653 1.047 7.093 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.655 2.021 7.029 1.00 0.00 O ATOM 0 H GLU A 104 -11.154 1.081 2.949 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.652 3.694 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.199 2.077 5.181 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.971 3.625 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -13.159 2.666 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.383 1.116 4.438 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.432 3.423 3.726 1.00 0.00 N ATOM 1557 CA ALA A 105 -7.158 4.116 3.636 1.00 0.00 C ATOM 1558 C ALA A 105 -6.197 3.544 4.680 1.00 0.00 C ATOM 1559 O ALA A 105 -6.221 3.951 5.840 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.382 5.620 3.811 1.00 0.00 C ATOM 0 H ALA A 105 -8.397 2.527 4.213 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.707 3.965 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.427 6.140 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -8.048 5.982 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.831 5.810 4.786 1.00 0.00 H new ATOM 1566 N SER A 106 -5.372 2.610 4.229 1.00 0.00 N ATOM 1567 CA SER A 106 -4.404 1.978 5.109 1.00 0.00 C ATOM 1568 C SER A 106 -3.707 3.036 5.965 1.00 0.00 C ATOM 1569 O SER A 106 -3.783 4.228 5.670 1.00 0.00 O ATOM 1570 CB SER A 106 -3.373 1.178 4.309 1.00 0.00 C ATOM 1571 OG SER A 106 -2.826 0.104 5.069 1.00 0.00 O ATOM 0 H SER A 106 -5.354 2.276 3.265 1.00 0.00 H new ATOM 0 HA SER A 106 -4.935 1.285 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.841 0.783 3.407 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.570 1.841 3.987 1.00 0.00 H new ATOM 0 HG SER A 106 -2.029 0.415 5.548 1.00 0.00 H new ATOM 1577 N GLU A 107 -3.042 2.563 7.009 1.00 0.00 N ATOM 1578 CA GLU A 107 -2.332 3.454 7.911 1.00 0.00 C ATOM 1579 C GLU A 107 -1.315 4.293 7.136 1.00 0.00 C ATOM 1580 O GLU A 107 -1.105 4.076 5.943 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.652 2.669 9.035 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.722 1.594 8.468 1.00 0.00 C ATOM 1583 CD GLU A 107 0.480 2.226 7.763 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.445 2.567 8.482 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.408 2.355 6.522 1.00 0.00 O ATOM 0 H GLU A 107 -2.980 1.574 7.250 1.00 0.00 H new ATOM 0 HA GLU A 107 -3.056 4.128 8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.083 3.351 9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.408 2.204 9.668 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.376 0.945 9.273 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.271 0.966 7.766 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.709 5.235 7.844 1.00 0.00 N ATOM 1593 CA GLN A 108 0.281 6.108 7.237 1.00 0.00 C ATOM 1594 C GLN A 108 1.681 5.511 7.392 1.00 0.00 C ATOM 1595 O GLN A 108 2.323 5.685 8.427 1.00 0.00 O ATOM 1596 CB GLN A 108 0.215 7.514 7.838 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.590 8.456 6.941 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.164 9.911 7.152 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.274 10.308 8.220 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.317 10.680 6.078 1.00 0.00 N ATOM 0 H GLN A 108 -0.885 5.413 8.833 1.00 0.00 H new ATOM 0 HA GLN A 108 0.059 6.193 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.241 7.470 8.827 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.224 7.905 7.969 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.448 8.179 5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.653 8.350 7.157 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -0.690 10.283 5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.062 11.667 6.117 1.00 0.00 H new ATOM 1609 N TYR A 109 2.113 4.820 6.347 1.00 0.00 N ATOM 1610 CA TYR A 109 3.426 4.196 6.354 1.00 0.00 C ATOM 1611 C TYR A 109 4.479 5.128 5.752 1.00 0.00 C ATOM 1612 O TYR A 109 4.319 5.611 4.632 1.00 0.00 O ATOM 1613 CB TYR A 109 3.304 2.949 5.477 1.00 0.00 C ATOM 1614 CG TYR A 109 4.559 2.073 5.463 1.00 0.00 C ATOM 1615 CD1 TYR A 109 4.709 1.068 6.396 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.540 2.289 4.517 1.00 0.00 C ATOM 1617 CE1 TYR A 109 5.890 0.244 6.383 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.721 1.465 4.504 1.00 0.00 C ATOM 1619 CZ TYR A 109 6.838 0.483 5.437 1.00 0.00 C ATOM 1620 OH TYR A 109 7.953 -0.295 5.425 1.00 0.00 O ATOM 0 H TYR A 109 1.578 4.678 5.490 1.00 0.00 H new ATOM 0 HA TYR A 109 3.735 3.962 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.461 2.353 5.826 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.076 3.256 4.456 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.941 0.899 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 109 5.422 3.076 3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.020 -0.546 7.108 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.497 1.624 3.769 1.00 0.00 H new ATOM 0 HH TYR A 109 8.542 -0.011 4.695 1.00 0.00 H new ATOM 1630 N LEU A 110 5.533 5.354 6.522 1.00 0.00 N ATOM 1631 CA LEU A 110 6.612 6.220 6.079 1.00 0.00 C ATOM 1632 C LEU A 110 7.925 5.434 6.082 1.00 0.00 C ATOM 1633 O LEU A 110 8.399 5.015 7.137 1.00 0.00 O ATOM 1634 CB LEU A 110 6.657 7.495 6.923 1.00 0.00 C ATOM 1635 CG LEU A 110 6.776 8.809 6.148 1.00 0.00 C ATOM 1636 CD1 LEU A 110 6.903 9.999 7.101 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.931 8.751 5.146 1.00 0.00 C ATOM 0 H LEU A 110 5.663 4.952 7.450 1.00 0.00 H new ATOM 0 HA LEU A 110 6.439 6.550 5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.754 7.536 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.501 7.423 7.609 1.00 0.00 H new ATOM 0 HG LEU A 110 5.859 8.952 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.986 10.920 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.021 10.049 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.792 9.877 7.719 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.994 9.697 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.866 8.573 5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.757 7.942 4.437 1.00 0.00 H new