USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 670 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 25 GLN :FLIP amide:sc= -0.0392 F(o=-2.6,f=-1.7) USER MOD Set 1.2: A 37 MET CE :methyl -129:sc= -1.71 (180deg=-3.33!) USER MOD Single : A 7 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 86:sc= 1.28 USER MOD Single : A 16 LYS NZ :NH3+ 157:sc= -0.0634 (180deg=-0.818) USER MOD Single : A 19 SER OG : rot 180:sc= -0.44 USER MOD Single : A 23 ASN :FLIP amide:sc= 0.933 F(o=-0.71,f=0.93) USER MOD Single : A 24 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.904! C(o=-0.9!,f=-6.5!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.237 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.6!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.411 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.221 F(o=-1.2,f=-0.22) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 123:sc= 0.57 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.466 K(o=-0.47,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -0.317 (180deg=-0.779) USER MOD Single : A 85 TYR OH : rot 30:sc= -1.23 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -32:sc= 0.384 USER MOD ----------------------------------------------------------------- ATOM 63 N ALA A 6 -3.648 20.761 -6.349 1.00 0.00 N ATOM 64 CA ALA A 6 -2.454 20.417 -5.582 1.00 0.00 C ATOM 65 C ALA A 6 -2.761 19.331 -4.550 1.00 0.00 C ATOM 66 O ALA A 6 -1.968 18.409 -4.344 1.00 0.00 O ATOM 67 CB ALA A 6 -1.891 21.653 -4.899 1.00 0.00 C ATOM 0 HA ALA A 6 -1.707 20.027 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.001 21.381 -4.331 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.628 22.397 -5.651 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.639 22.069 -4.224 1.00 0.00 H new ATOM 73 N ASN A 7 -3.928 19.432 -3.921 1.00 0.00 N ATOM 74 CA ASN A 7 -4.342 18.447 -2.930 1.00 0.00 C ATOM 75 C ASN A 7 -4.619 17.107 -3.603 1.00 0.00 C ATOM 76 O ASN A 7 -4.137 16.064 -3.161 1.00 0.00 O ATOM 77 CB ASN A 7 -5.586 18.930 -2.184 1.00 0.00 C ATOM 78 CG ASN A 7 -5.605 18.477 -0.738 1.00 0.00 C ATOM 79 OD1 ASN A 7 -6.583 17.893 -0.271 1.00 0.00 O ATOM 80 ND2 ASN A 7 -4.521 18.745 -0.018 1.00 0.00 N ATOM 0 H ASN A 7 -4.600 20.183 -4.079 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.534 18.318 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.629 20.019 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.477 18.558 -2.690 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -4.477 18.464 0.962 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.733 19.231 -0.445 1.00 0.00 H new ATOM 87 N LYS A 8 -5.390 17.147 -4.685 1.00 0.00 N ATOM 88 CA LYS A 8 -5.724 15.942 -5.433 1.00 0.00 C ATOM 89 C LYS A 8 -4.468 15.320 -6.034 1.00 0.00 C ATOM 90 O LYS A 8 -4.398 14.109 -6.239 1.00 0.00 O ATOM 91 CB LYS A 8 -6.735 16.262 -6.537 1.00 0.00 C ATOM 92 CG LYS A 8 -8.078 15.576 -6.350 1.00 0.00 C ATOM 93 CD LYS A 8 -8.849 16.170 -5.182 1.00 0.00 C ATOM 94 CE LYS A 8 -10.325 15.815 -5.253 1.00 0.00 C ATOM 95 NZ LYS A 8 -10.558 14.361 -5.030 1.00 0.00 N ATOM 0 H LYS A 8 -5.796 18.003 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.172 15.225 -4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.890 17.340 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.316 15.966 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.667 15.672 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.923 14.510 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.430 15.805 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.734 17.254 -5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.873 16.389 -4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.721 16.101 -6.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.577 14.160 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.056 13.813 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.204 14.093 -4.090 1.00 0.00 H new ATOM 109 N ASP A 9 -3.475 16.156 -6.315 1.00 0.00 N ATOM 110 CA ASP A 9 -2.225 15.684 -6.889 1.00 0.00 C ATOM 111 C ASP A 9 -1.384 14.998 -5.825 1.00 0.00 C ATOM 112 O ASP A 9 -0.675 14.038 -6.110 1.00 0.00 O ATOM 113 CB ASP A 9 -1.443 16.841 -7.516 1.00 0.00 C ATOM 114 CG ASP A 9 -0.688 16.416 -8.761 1.00 0.00 C ATOM 115 OD1 ASP A 9 -1.342 16.190 -9.802 1.00 0.00 O ATOM 116 OD2 ASP A 9 0.554 16.308 -8.696 1.00 0.00 O ATOM 0 H ASP A 9 -3.513 17.163 -6.154 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.459 14.964 -7.673 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.131 17.647 -7.769 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -0.739 17.240 -6.785 1.00 0.00 H new ATOM 121 N LEU A 10 -1.482 15.482 -4.593 1.00 0.00 N ATOM 122 CA LEU A 10 -0.740 14.882 -3.493 1.00 0.00 C ATOM 123 C LEU A 10 -1.293 13.492 -3.197 1.00 0.00 C ATOM 124 O LEU A 10 -0.543 12.516 -3.076 1.00 0.00 O ATOM 125 CB LEU A 10 -0.816 15.759 -2.238 1.00 0.00 C ATOM 126 CG LEU A 10 -0.136 15.184 -0.993 1.00 0.00 C ATOM 127 CD1 LEU A 10 -1.029 14.146 -0.331 1.00 0.00 C ATOM 128 CD2 LEU A 10 1.219 14.585 -1.344 1.00 0.00 C ATOM 0 H LEU A 10 -2.062 16.280 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 10 0.307 14.800 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.366 16.726 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.865 15.942 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 10 0.028 15.997 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.530 13.747 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.971 14.610 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.227 13.336 -1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.683 14.183 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.086 13.785 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.860 15.358 -1.768 1.00 0.00 H new ATOM 140 N ILE A 11 -2.619 13.396 -3.116 1.00 0.00 N ATOM 141 CA ILE A 11 -3.260 12.118 -2.862 1.00 0.00 C ATOM 142 C ILE A 11 -2.956 11.156 -3.999 1.00 0.00 C ATOM 143 O ILE A 11 -2.485 10.042 -3.769 1.00 0.00 O ATOM 144 CB ILE A 11 -4.791 12.266 -2.650 1.00 0.00 C ATOM 145 CG1 ILE A 11 -5.302 11.166 -1.716 1.00 0.00 C ATOM 146 CG2 ILE A 11 -5.562 12.247 -3.963 1.00 0.00 C ATOM 147 CD1 ILE A 11 -6.290 11.662 -0.686 1.00 0.00 C ATOM 0 H ILE A 11 -3.260 14.182 -3.222 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.854 11.714 -1.935 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.963 13.240 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.772 10.384 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.454 10.711 -1.205 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.628 12.354 -3.761 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.228 13.071 -4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.383 11.302 -4.476 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.610 10.830 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.817 12.423 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.156 12.091 -1.190 1.00 0.00 H new ATOM 159 N SER A 12 -3.210 11.590 -5.233 1.00 0.00 N ATOM 160 CA SER A 12 -2.940 10.758 -6.393 1.00 0.00 C ATOM 161 C SER A 12 -1.458 10.420 -6.459 1.00 0.00 C ATOM 162 O SER A 12 -1.083 9.310 -6.803 1.00 0.00 O ATOM 163 CB SER A 12 -3.375 11.471 -7.674 1.00 0.00 C ATOM 164 OG SER A 12 -4.739 11.848 -7.610 1.00 0.00 O ATOM 0 H SER A 12 -3.600 12.507 -5.449 1.00 0.00 H new ATOM 0 HA SER A 12 -3.510 9.834 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.757 12.355 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.215 10.816 -8.531 1.00 0.00 H new ATOM 0 HG SER A 12 -4.818 12.716 -7.162 1.00 0.00 H new ATOM 170 N ALA A 13 -0.619 11.395 -6.129 1.00 0.00 N ATOM 171 CA ALA A 13 0.824 11.196 -6.157 1.00 0.00 C ATOM 172 C ALA A 13 1.222 10.056 -5.232 1.00 0.00 C ATOM 173 O ALA A 13 2.138 9.291 -5.536 1.00 0.00 O ATOM 174 CB ALA A 13 1.555 12.478 -5.787 1.00 0.00 C ATOM 0 H ALA A 13 -0.912 12.328 -5.840 1.00 0.00 H new ATOM 0 HA ALA A 13 1.114 10.928 -7.173 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.631 12.304 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.296 13.263 -6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.263 12.786 -4.783 1.00 0.00 H new ATOM 180 N GLY A 14 0.480 9.898 -4.143 1.00 0.00 N ATOM 181 CA GLY A 14 0.744 8.784 -3.250 1.00 0.00 C ATOM 182 C GLY A 14 0.293 7.501 -3.924 1.00 0.00 C ATOM 183 O GLY A 14 1.010 6.500 -3.958 1.00 0.00 O ATOM 0 H GLY A 14 -0.287 10.509 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.807 8.733 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.214 8.922 -2.307 1.00 0.00 H new ATOM 187 N LEU A 15 -0.921 7.568 -4.452 1.00 0.00 N ATOM 188 CA LEU A 15 -1.540 6.442 -5.139 1.00 0.00 C ATOM 189 C LEU A 15 -0.628 5.922 -6.250 1.00 0.00 C ATOM 190 O LEU A 15 -0.260 4.747 -6.257 1.00 0.00 O ATOM 191 CB LEU A 15 -2.897 6.852 -5.715 1.00 0.00 C ATOM 192 CG LEU A 15 -4.103 6.525 -4.832 1.00 0.00 C ATOM 193 CD1 LEU A 15 -4.101 5.054 -4.445 1.00 0.00 C ATOM 194 CD2 LEU A 15 -4.108 7.405 -3.592 1.00 0.00 C ATOM 0 H LEU A 15 -1.505 8.404 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.694 5.641 -4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.885 7.926 -5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.028 6.361 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.011 6.727 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.966 4.842 -3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.146 4.441 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.189 4.824 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.972 7.159 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.195 7.235 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.160 8.452 -3.889 1.00 0.00 H new ATOM 206 N LYS A 16 -0.250 6.797 -7.173 1.00 0.00 N ATOM 207 CA LYS A 16 0.635 6.415 -8.267 1.00 0.00 C ATOM 208 C LYS A 16 1.987 5.991 -7.706 1.00 0.00 C ATOM 209 O LYS A 16 2.645 5.098 -8.235 1.00 0.00 O ATOM 210 CB LYS A 16 0.809 7.582 -9.241 1.00 0.00 C ATOM 211 CG LYS A 16 0.679 7.184 -10.702 1.00 0.00 C ATOM 212 CD LYS A 16 1.515 8.085 -11.594 1.00 0.00 C ATOM 213 CE LYS A 16 0.718 9.289 -12.072 1.00 0.00 C ATOM 214 NZ LYS A 16 0.394 10.219 -10.956 1.00 0.00 N ATOM 0 H LYS A 16 -0.541 7.774 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 16 0.193 5.578 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.066 8.346 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.789 8.033 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.995 6.148 -10.829 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.367 7.238 -11.004 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.396 8.423 -11.048 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.871 7.518 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.287 9.821 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.205 8.950 -12.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.214 11.170 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.453 9.880 -10.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.194 10.258 -10.293 1.00 0.00 H new ATOM 228 N GLU A 17 2.377 6.635 -6.614 1.00 0.00 N ATOM 229 CA GLU A 17 3.636 6.321 -5.955 1.00 0.00 C ATOM 230 C GLU A 17 3.634 4.864 -5.504 1.00 0.00 C ATOM 231 O GLU A 17 4.617 4.142 -5.684 1.00 0.00 O ATOM 232 CB GLU A 17 3.870 7.245 -4.758 1.00 0.00 C ATOM 233 CG GLU A 17 4.712 8.467 -5.090 1.00 0.00 C ATOM 234 CD GLU A 17 4.763 9.466 -3.952 1.00 0.00 C ATOM 235 OE1 GLU A 17 3.695 9.996 -3.578 1.00 0.00 O ATOM 236 OE2 GLU A 17 5.870 9.720 -3.432 1.00 0.00 O ATOM 0 H GLU A 17 1.839 7.377 -6.167 1.00 0.00 H new ATOM 0 HA GLU A 17 4.448 6.475 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.906 7.573 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.360 6.681 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.725 8.150 -5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.306 8.953 -5.977 1.00 0.00 H new ATOM 243 N PHE A 18 2.511 4.437 -4.937 1.00 0.00 N ATOM 244 CA PHE A 18 2.364 3.062 -4.478 1.00 0.00 C ATOM 245 C PHE A 18 2.204 2.108 -5.658 1.00 0.00 C ATOM 246 O PHE A 18 2.903 1.098 -5.750 1.00 0.00 O ATOM 247 CB PHE A 18 1.167 2.938 -3.531 1.00 0.00 C ATOM 248 CG PHE A 18 1.070 1.603 -2.838 1.00 0.00 C ATOM 249 CD1 PHE A 18 2.199 0.822 -2.628 1.00 0.00 C ATOM 250 CD2 PHE A 18 -0.156 1.131 -2.396 1.00 0.00 C ATOM 251 CE1 PHE A 18 2.104 -0.400 -1.989 1.00 0.00 C ATOM 252 CE2 PHE A 18 -0.255 -0.091 -1.757 1.00 0.00 C ATOM 253 CZ PHE A 18 0.876 -0.857 -1.553 1.00 0.00 C ATOM 0 H PHE A 18 1.690 5.023 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 18 3.269 2.788 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.230 3.723 -2.778 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.251 3.110 -4.096 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.162 1.173 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.044 1.725 -2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.990 -0.997 -1.831 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.217 -0.447 -1.417 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.800 -1.812 -1.053 1.00 0.00 H new ATOM 263 N SER A 19 1.280 2.434 -6.561 1.00 0.00 N ATOM 264 CA SER A 19 1.032 1.602 -7.735 1.00 0.00 C ATOM 265 C SER A 19 2.318 1.384 -8.525 1.00 0.00 C ATOM 266 O SER A 19 2.686 0.249 -8.827 1.00 0.00 O ATOM 267 CB SER A 19 -0.035 2.244 -8.630 1.00 0.00 C ATOM 268 OG SER A 19 0.553 2.999 -9.676 1.00 0.00 O ATOM 0 H SER A 19 0.693 3.266 -6.502 1.00 0.00 H new ATOM 0 HA SER A 19 0.668 0.633 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.672 1.467 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 19 -0.676 2.889 -8.029 1.00 0.00 H new ATOM 0 HG SER A 19 -0.152 3.394 -10.230 1.00 0.00 H new ATOM 274 N VAL A 20 3.004 2.476 -8.841 1.00 0.00 N ATOM 275 CA VAL A 20 4.257 2.399 -9.580 1.00 0.00 C ATOM 276 C VAL A 20 5.288 1.604 -8.791 1.00 0.00 C ATOM 277 O VAL A 20 5.994 0.761 -9.344 1.00 0.00 O ATOM 278 CB VAL A 20 4.818 3.803 -9.889 1.00 0.00 C ATOM 279 CG1 VAL A 20 6.119 3.701 -10.674 1.00 0.00 C ATOM 280 CG2 VAL A 20 3.792 4.631 -10.648 1.00 0.00 C ATOM 0 H VAL A 20 2.714 3.423 -8.597 1.00 0.00 H new ATOM 0 HA VAL A 20 4.050 1.895 -10.524 1.00 0.00 H new ATOM 0 HB VAL A 20 5.031 4.305 -8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.498 4.702 -10.882 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.854 3.149 -10.089 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.937 3.180 -11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.204 5.618 -10.858 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.545 4.134 -11.586 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.890 4.735 -10.045 1.00 0.00 H new ATOM 290 N LEU A 21 5.359 1.866 -7.488 1.00 0.00 N ATOM 291 CA LEU A 21 6.293 1.162 -6.621 1.00 0.00 C ATOM 292 C LEU A 21 6.020 -0.339 -6.658 1.00 0.00 C ATOM 293 O LEU A 21 6.944 -1.152 -6.657 1.00 0.00 O ATOM 294 CB LEU A 21 6.176 1.688 -5.190 1.00 0.00 C ATOM 295 CG LEU A 21 7.019 0.949 -4.151 1.00 0.00 C ATOM 296 CD1 LEU A 21 8.499 1.222 -4.375 1.00 0.00 C ATOM 297 CD2 LEU A 21 6.604 1.360 -2.746 1.00 0.00 C ATOM 0 H LEU A 21 4.781 2.559 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 21 7.307 1.338 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.461 2.740 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.130 1.639 -4.887 1.00 0.00 H new ATOM 0 HG LEU A 21 6.849 -0.122 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.085 0.688 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.785 0.882 -5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.689 2.292 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.212 0.826 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.749 2.433 -2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.553 1.115 -2.591 1.00 0.00 H new ATOM 309 N LEU A 22 4.738 -0.696 -6.694 1.00 0.00 N ATOM 310 CA LEU A 22 4.327 -2.095 -6.736 1.00 0.00 C ATOM 311 C LEU A 22 4.683 -2.727 -8.080 1.00 0.00 C ATOM 312 O LEU A 22 5.096 -3.884 -8.147 1.00 0.00 O ATOM 313 CB LEU A 22 2.821 -2.210 -6.499 1.00 0.00 C ATOM 314 CG LEU A 22 2.341 -1.758 -5.120 1.00 0.00 C ATOM 315 CD1 LEU A 22 0.960 -1.130 -5.212 1.00 0.00 C ATOM 316 CD2 LEU A 22 2.328 -2.931 -4.154 1.00 0.00 C ATOM 0 H LEU A 22 3.964 -0.032 -6.695 1.00 0.00 H new ATOM 0 HA LEU A 22 4.859 -2.627 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.304 -1.621 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.525 -3.249 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 22 3.034 -1.006 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.637 -0.815 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.997 -0.264 -5.873 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.254 -1.860 -5.609 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.984 -2.593 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.656 -3.703 -4.528 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.335 -3.339 -4.063 1.00 0.00 H new ATOM 328 N ASN A 23 4.509 -1.956 -9.150 1.00 0.00 N ATOM 329 CA ASN A 23 4.801 -2.433 -10.498 1.00 0.00 C ATOM 330 C ASN A 23 6.295 -2.691 -10.692 1.00 0.00 C ATOM 331 O ASN A 23 6.696 -3.364 -11.641 1.00 0.00 O ATOM 332 CB ASN A 23 4.308 -1.421 -11.535 1.00 0.00 C ATOM 333 CG ASN A 23 2.809 -1.492 -11.744 1.00 0.00 C ATOM 334 OD1 ASN A 23 2.396 -2.029 -12.885 1.00 0.00 O flip ATOM 335 ND2 ASN A 23 2.030 -1.069 -10.889 1.00 0.00 N flip ATOM 0 H ASN A 23 4.166 -0.996 -9.109 1.00 0.00 H new ATOM 0 HA ASN A 23 4.276 -3.378 -10.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.580 -0.415 -11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.813 -1.602 -12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.391 -0.664 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.023 -1.124 -11.044 1.00 0.00 H new ATOM 342 N GLN A 24 7.116 -2.151 -9.795 1.00 0.00 N ATOM 343 CA GLN A 24 8.562 -2.325 -9.881 1.00 0.00 C ATOM 344 C GLN A 24 9.013 -3.641 -9.243 1.00 0.00 C ATOM 345 O GLN A 24 10.206 -3.852 -9.023 1.00 0.00 O ATOM 346 CB GLN A 24 9.275 -1.153 -9.204 1.00 0.00 C ATOM 347 CG GLN A 24 9.037 0.184 -9.887 1.00 0.00 C ATOM 348 CD GLN A 24 9.984 0.423 -11.046 1.00 0.00 C ATOM 349 OE1 GLN A 24 11.003 1.099 -10.900 1.00 0.00 O ATOM 350 NE2 GLN A 24 9.652 -0.131 -12.205 1.00 0.00 N ATOM 0 H GLN A 24 6.805 -1.590 -9.002 1.00 0.00 H new ATOM 0 HA GLN A 24 8.827 -2.354 -10.938 1.00 0.00 H new ATOM 0 HB2 GLN A 24 8.942 -1.086 -8.168 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.346 -1.354 -9.182 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.009 0.226 -10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.152 0.986 -9.158 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.798 -0.683 -12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 24 10.251 -0.004 -13.021 1.00 0.00 H new ATOM 359 N GLN A 25 8.061 -4.523 -8.944 1.00 0.00 N ATOM 360 CA GLN A 25 8.380 -5.807 -8.331 1.00 0.00 C ATOM 361 C GLN A 25 8.454 -6.915 -9.380 1.00 0.00 C ATOM 362 O GLN A 25 7.561 -7.057 -10.214 1.00 0.00 O ATOM 363 CB GLN A 25 7.334 -6.161 -7.272 1.00 0.00 C ATOM 364 CG GLN A 25 7.102 -5.055 -6.256 1.00 0.00 C ATOM 365 CD GLN A 25 8.339 -4.749 -5.435 1.00 0.00 C ATOM 366 OE1 GLN A 25 8.946 -5.785 -4.868 1.00 0.00 O flip ATOM 367 NE2 GLN A 25 8.745 -3.593 -5.311 1.00 0.00 N flip ATOM 0 H GLN A 25 7.067 -4.371 -9.116 1.00 0.00 H new ATOM 0 HA GLN A 25 9.357 -5.720 -7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.391 -6.392 -7.767 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.649 -7.064 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.782 -4.151 -6.775 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.290 -5.344 -5.589 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.248 -2.826 -5.764 1.00 0.00 H new ATOM 0 HE22 GLN A 25 9.579 -3.402 -4.755 1.00 0.00 H new ATOM 376 N VAL A 26 9.525 -7.701 -9.322 1.00 0.00 N ATOM 377 CA VAL A 26 9.723 -8.802 -10.258 1.00 0.00 C ATOM 378 C VAL A 26 10.246 -10.037 -9.533 1.00 0.00 C ATOM 379 O VAL A 26 11.422 -10.105 -9.174 1.00 0.00 O ATOM 380 CB VAL A 26 10.711 -8.421 -11.377 1.00 0.00 C ATOM 381 CG1 VAL A 26 10.108 -7.361 -12.286 1.00 0.00 C ATOM 382 CG2 VAL A 26 12.026 -7.937 -10.785 1.00 0.00 C ATOM 0 H VAL A 26 10.271 -7.595 -8.634 1.00 0.00 H new ATOM 0 HA VAL A 26 8.753 -9.022 -10.705 1.00 0.00 H new ATOM 0 HB VAL A 26 10.911 -9.309 -11.976 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.821 -7.105 -13.070 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.194 -7.747 -12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.876 -6.470 -11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.712 -7.672 -11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 26 11.844 -7.062 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL A 26 12.466 -8.729 -10.179 1.00 0.00 H new ATOM 392 N PHE A 27 9.363 -11.006 -9.302 1.00 0.00 N ATOM 393 CA PHE A 27 9.742 -12.228 -8.601 1.00 0.00 C ATOM 394 C PHE A 27 10.153 -13.332 -9.571 1.00 0.00 C ATOM 395 O PHE A 27 9.663 -13.404 -10.698 1.00 0.00 O ATOM 396 CB PHE A 27 8.588 -12.720 -7.721 1.00 0.00 C ATOM 397 CG PHE A 27 7.804 -11.615 -7.068 1.00 0.00 C ATOM 398 CD1 PHE A 27 8.441 -10.481 -6.586 1.00 0.00 C ATOM 399 CD2 PHE A 27 6.428 -11.714 -6.935 1.00 0.00 C ATOM 400 CE1 PHE A 27 7.718 -9.467 -5.987 1.00 0.00 C ATOM 401 CE2 PHE A 27 5.702 -10.704 -6.337 1.00 0.00 C ATOM 402 CZ PHE A 27 6.347 -9.579 -5.862 1.00 0.00 C ATOM 0 H PHE A 27 8.385 -10.968 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 27 10.601 -11.989 -7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.912 -13.321 -8.329 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.988 -13.374 -6.947 1.00 0.00 H new ATOM 0 HD1 PHE A 27 9.513 -10.390 -6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.918 -12.592 -7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.224 -8.588 -5.617 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.630 -10.793 -6.241 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.780 -8.788 -5.394 1.00 0.00 H new ATOM 412 N ASN A 28 11.056 -14.192 -9.109 1.00 0.00 N ATOM 413 CA ASN A 28 11.555 -15.313 -9.904 1.00 0.00 C ATOM 414 C ASN A 28 12.669 -16.033 -9.143 1.00 0.00 C ATOM 415 O ASN A 28 12.466 -17.115 -8.595 1.00 0.00 O ATOM 416 CB ASN A 28 12.065 -14.837 -11.273 1.00 0.00 C ATOM 417 CG ASN A 28 12.585 -13.411 -11.250 1.00 0.00 C ATOM 418 OD1 ASN A 28 13.607 -13.119 -10.629 1.00 0.00 O ATOM 419 ND2 ASN A 28 11.882 -12.514 -11.933 1.00 0.00 N ATOM 0 H ASN A 28 11.463 -14.133 -8.175 1.00 0.00 H new ATOM 0 HA ASN A 28 10.732 -16.006 -10.076 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.860 -15.502 -11.610 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.257 -14.912 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.184 -11.540 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.041 -12.799 -12.434 1.00 0.00 H new ATOM 426 N ASP A 29 13.847 -15.423 -9.134 1.00 0.00 N ATOM 427 CA ASP A 29 15.001 -16.004 -8.459 1.00 0.00 C ATOM 428 C ASP A 29 14.925 -15.745 -6.954 1.00 0.00 C ATOM 429 O ASP A 29 14.760 -14.606 -6.520 1.00 0.00 O ATOM 430 CB ASP A 29 16.299 -15.426 -9.028 1.00 0.00 C ATOM 431 CG ASP A 29 17.079 -16.443 -9.838 1.00 0.00 C ATOM 432 OD1 ASP A 29 17.770 -17.286 -9.228 1.00 0.00 O ATOM 433 OD2 ASP A 29 16.998 -16.397 -11.084 1.00 0.00 O ATOM 0 H ASP A 29 14.029 -14.527 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 29 14.993 -17.081 -8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 29 16.066 -14.567 -9.657 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.921 -15.063 -8.210 1.00 0.00 H new ATOM 438 N PRO A 30 15.024 -16.812 -6.134 1.00 0.00 N ATOM 439 CA PRO A 30 14.947 -16.708 -4.673 1.00 0.00 C ATOM 440 C PRO A 30 15.860 -15.630 -4.101 1.00 0.00 C ATOM 441 O PRO A 30 17.079 -15.681 -4.262 1.00 0.00 O ATOM 442 CB PRO A 30 15.376 -18.098 -4.173 1.00 0.00 C ATOM 443 CG PRO A 30 15.888 -18.824 -5.375 1.00 0.00 C ATOM 444 CD PRO A 30 15.204 -18.208 -6.558 1.00 0.00 C ATOM 0 HA PRO A 30 13.945 -16.420 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.148 -18.017 -3.407 1.00 0.00 H new ATOM 0 HB3 PRO A 30 14.536 -18.628 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 30 16.971 -18.727 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 30 15.668 -19.890 -5.309 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.810 -18.282 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.251 -18.692 -6.773 1.00 0.00 H new ATOM 452 N LEU A 31 15.252 -14.663 -3.424 1.00 0.00 N ATOM 453 CA LEU A 31 15.991 -13.567 -2.807 1.00 0.00 C ATOM 454 C LEU A 31 15.397 -13.247 -1.428 1.00 0.00 C ATOM 455 O LEU A 31 15.188 -14.152 -0.620 1.00 0.00 O ATOM 456 CB LEU A 31 15.968 -12.337 -3.723 1.00 0.00 C ATOM 457 CG LEU A 31 16.492 -12.571 -5.142 1.00 0.00 C ATOM 458 CD1 LEU A 31 15.662 -11.795 -6.153 1.00 0.00 C ATOM 459 CD2 LEU A 31 17.958 -12.176 -5.239 1.00 0.00 C ATOM 0 H LEU A 31 14.242 -14.616 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 31 17.031 -13.863 -2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.943 -11.971 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.560 -11.548 -3.260 1.00 0.00 H new ATOM 0 HG LEU A 31 16.405 -13.633 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.050 -11.974 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.624 -12.124 -6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.717 -10.730 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.315 -12.349 -6.254 1.00 0.00 H new ATOM 0 HD22 LEU A 31 18.068 -11.120 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 31 18.543 -12.776 -4.542 1.00 0.00 H new ATOM 471 N VAL A 32 15.149 -11.968 -1.144 1.00 0.00 N ATOM 472 CA VAL A 32 14.611 -11.563 0.150 1.00 0.00 C ATOM 473 C VAL A 32 13.267 -12.230 0.437 1.00 0.00 C ATOM 474 O VAL A 32 12.552 -12.640 -0.478 1.00 0.00 O ATOM 475 CB VAL A 32 14.445 -10.028 0.206 1.00 0.00 C ATOM 476 CG1 VAL A 32 13.776 -9.514 -1.060 1.00 0.00 C ATOM 477 CG2 VAL A 32 13.665 -9.603 1.433 1.00 0.00 C ATOM 0 H VAL A 32 15.312 -11.198 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 32 15.322 -11.884 0.912 1.00 0.00 H new ATOM 0 HB VAL A 32 15.440 -9.588 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.668 -8.431 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 14.388 -9.771 -1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.792 -9.971 -1.163 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.566 -8.518 1.443 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.675 -10.058 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 14.193 -9.927 2.330 1.00 0.00 H new ATOM 487 N SER A 33 12.946 -12.353 1.726 1.00 0.00 N ATOM 488 CA SER A 33 11.708 -12.990 2.161 1.00 0.00 C ATOM 489 C SER A 33 10.543 -12.010 2.221 1.00 0.00 C ATOM 490 O SER A 33 10.710 -10.806 2.031 1.00 0.00 O ATOM 491 CB SER A 33 11.905 -13.643 3.529 1.00 0.00 C ATOM 492 OG SER A 33 10.725 -14.301 3.958 1.00 0.00 O ATOM 0 H SER A 33 13.533 -12.016 2.489 1.00 0.00 H new ATOM 0 HA SER A 33 11.460 -13.750 1.420 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.726 -14.359 3.478 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.188 -12.885 4.259 1.00 0.00 H new ATOM 0 HG SER A 33 10.879 -14.711 4.835 1.00 0.00 H new ATOM 498 N GLU A 34 9.359 -12.553 2.490 1.00 0.00 N ATOM 499 CA GLU A 34 8.144 -11.756 2.585 1.00 0.00 C ATOM 500 C GLU A 34 8.166 -10.871 3.821 1.00 0.00 C ATOM 501 O GLU A 34 7.446 -9.880 3.890 1.00 0.00 O ATOM 502 CB GLU A 34 6.913 -12.664 2.616 1.00 0.00 C ATOM 503 CG GLU A 34 6.888 -13.609 3.806 1.00 0.00 C ATOM 504 CD GLU A 34 6.402 -12.935 5.075 1.00 0.00 C ATOM 505 OE1 GLU A 34 5.227 -12.512 5.110 1.00 0.00 O ATOM 506 OE2 GLU A 34 7.196 -12.830 6.033 1.00 0.00 O ATOM 0 H GLU A 34 9.217 -13.551 2.647 1.00 0.00 H new ATOM 0 HA GLU A 34 8.093 -11.115 1.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.015 -12.046 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.879 -13.249 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.242 -14.457 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.889 -14.007 3.971 1.00 0.00 H new ATOM 513 N GLU A 35 8.994 -11.226 4.797 1.00 0.00 N ATOM 514 CA GLU A 35 9.093 -10.440 6.015 1.00 0.00 C ATOM 515 C GLU A 35 9.684 -9.070 5.715 1.00 0.00 C ATOM 516 O GLU A 35 9.319 -8.078 6.344 1.00 0.00 O ATOM 517 CB GLU A 35 9.946 -11.170 7.055 1.00 0.00 C ATOM 518 CG GLU A 35 9.347 -11.154 8.452 1.00 0.00 C ATOM 519 CD GLU A 35 10.397 -11.015 9.535 1.00 0.00 C ATOM 520 OE1 GLU A 35 11.357 -11.815 9.537 1.00 0.00 O ATOM 521 OE2 GLU A 35 10.260 -10.109 10.383 1.00 0.00 O ATOM 0 H GLU A 35 9.600 -12.046 4.767 1.00 0.00 H new ATOM 0 HA GLU A 35 8.091 -10.305 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.083 -12.204 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.935 -10.713 7.087 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.639 -10.329 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.784 -12.074 8.613 1.00 0.00 H new ATOM 528 N ASP A 36 10.591 -9.010 4.737 1.00 0.00 N ATOM 529 CA ASP A 36 11.200 -7.739 4.372 1.00 0.00 C ATOM 530 C ASP A 36 10.223 -6.900 3.562 1.00 0.00 C ATOM 531 O ASP A 36 10.009 -5.724 3.854 1.00 0.00 O ATOM 532 CB ASP A 36 12.488 -7.960 3.587 1.00 0.00 C ATOM 533 CG ASP A 36 13.639 -7.130 4.121 1.00 0.00 C ATOM 534 OD1 ASP A 36 13.520 -5.887 4.133 1.00 0.00 O ATOM 535 OD2 ASP A 36 14.661 -7.724 4.528 1.00 0.00 O ATOM 0 H ASP A 36 10.912 -9.813 4.196 1.00 0.00 H new ATOM 0 HA ASP A 36 11.448 -7.203 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.757 -9.016 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.319 -7.711 2.539 1.00 0.00 H new ATOM 540 N MET A 37 9.612 -7.519 2.558 1.00 0.00 N ATOM 541 CA MET A 37 8.637 -6.821 1.730 1.00 0.00 C ATOM 542 C MET A 37 7.483 -6.360 2.605 1.00 0.00 C ATOM 543 O MET A 37 7.075 -5.202 2.564 1.00 0.00 O ATOM 544 CB MET A 37 8.107 -7.729 0.615 1.00 0.00 C ATOM 545 CG MET A 37 9.137 -8.106 -0.444 1.00 0.00 C ATOM 546 SD MET A 37 10.267 -6.763 -0.868 1.00 0.00 S ATOM 547 CE MET A 37 9.108 -5.438 -1.194 1.00 0.00 C ATOM 0 H MET A 37 9.772 -8.493 2.300 1.00 0.00 H new ATOM 0 HA MET A 37 9.124 -5.964 1.265 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.717 -8.642 1.064 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.270 -7.231 0.127 1.00 0.00 H new ATOM 0 HG2 MET A 37 9.716 -8.958 -0.088 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.617 -8.429 -1.345 1.00 0.00 H new ATOM 0 HE1 MET A 37 9.333 -4.987 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.094 -5.837 -1.207 1.00 0.00 H new ATOM 0 HE3 MET A 37 9.190 -4.682 -0.413 1.00 0.00 H new ATOM 557 N VAL A 38 6.954 -7.293 3.384 1.00 0.00 N ATOM 558 CA VAL A 38 5.833 -7.019 4.267 1.00 0.00 C ATOM 559 C VAL A 38 6.144 -5.842 5.190 1.00 0.00 C ATOM 560 O VAL A 38 5.332 -4.927 5.317 1.00 0.00 O ATOM 561 CB VAL A 38 5.488 -8.271 5.108 1.00 0.00 C ATOM 562 CG1 VAL A 38 4.646 -7.916 6.327 1.00 0.00 C ATOM 563 CG2 VAL A 38 4.780 -9.306 4.247 1.00 0.00 C ATOM 0 H VAL A 38 7.289 -8.256 3.421 1.00 0.00 H new ATOM 0 HA VAL A 38 4.973 -6.759 3.650 1.00 0.00 H new ATOM 0 HB VAL A 38 6.423 -8.697 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.424 -8.821 6.892 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.197 -7.219 6.959 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.714 -7.453 6.003 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.543 -10.182 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.859 -8.880 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.430 -9.599 3.422 1.00 0.00 H new ATOM 573 N THR A 39 7.309 -5.854 5.832 1.00 0.00 N ATOM 574 CA THR A 39 7.679 -4.763 6.728 1.00 0.00 C ATOM 575 C THR A 39 7.831 -3.457 5.951 1.00 0.00 C ATOM 576 O THR A 39 7.524 -2.379 6.462 1.00 0.00 O ATOM 577 CB THR A 39 8.976 -5.104 7.477 1.00 0.00 C ATOM 578 OG1 THR A 39 8.844 -4.819 8.858 1.00 0.00 O ATOM 579 CG2 THR A 39 10.199 -4.360 6.973 1.00 0.00 C ATOM 0 H THR A 39 8.004 -6.596 5.751 1.00 0.00 H new ATOM 0 HA THR A 39 6.883 -4.631 7.461 1.00 0.00 H new ATOM 0 HB THR A 39 9.129 -6.168 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.679 -5.044 9.320 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.071 -4.658 7.555 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.364 -4.600 5.923 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.041 -3.287 7.079 1.00 0.00 H new ATOM 587 N VAL A 40 8.296 -3.564 4.711 1.00 0.00 N ATOM 588 CA VAL A 40 8.474 -2.393 3.862 1.00 0.00 C ATOM 589 C VAL A 40 7.121 -1.861 3.410 1.00 0.00 C ATOM 590 O VAL A 40 6.928 -0.654 3.269 1.00 0.00 O ATOM 591 CB VAL A 40 9.337 -2.718 2.624 1.00 0.00 C ATOM 592 CG1 VAL A 40 9.480 -1.495 1.730 1.00 0.00 C ATOM 593 CG2 VAL A 40 10.703 -3.237 3.046 1.00 0.00 C ATOM 0 H VAL A 40 8.556 -4.448 4.273 1.00 0.00 H new ATOM 0 HA VAL A 40 8.990 -1.635 4.451 1.00 0.00 H new ATOM 0 HB VAL A 40 8.835 -3.499 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.092 -1.747 0.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.494 -1.171 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.956 -0.690 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 40 11.297 -3.461 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.212 -2.479 3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.581 -4.143 3.639 1.00 0.00 H new ATOM 603 N VAL A 41 6.183 -2.778 3.197 1.00 0.00 N ATOM 604 CA VAL A 41 4.840 -2.417 2.776 1.00 0.00 C ATOM 605 C VAL A 41 4.081 -1.786 3.936 1.00 0.00 C ATOM 606 O VAL A 41 3.484 -0.719 3.797 1.00 0.00 O ATOM 607 CB VAL A 41 4.067 -3.651 2.271 1.00 0.00 C ATOM 608 CG1 VAL A 41 2.695 -3.254 1.755 1.00 0.00 C ATOM 609 CG2 VAL A 41 4.863 -4.375 1.194 1.00 0.00 C ATOM 0 H VAL A 41 6.332 -3.781 3.311 1.00 0.00 H new ATOM 0 HA VAL A 41 4.925 -1.700 1.959 1.00 0.00 H new ATOM 0 HB VAL A 41 3.926 -4.334 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.168 -4.141 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.125 -2.787 2.558 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.806 -2.548 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.302 -5.244 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.039 -3.700 0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.819 -4.700 1.605 1.00 0.00 H new ATOM 619 N GLU A 42 4.122 -2.453 5.087 1.00 0.00 N ATOM 620 CA GLU A 42 3.451 -1.957 6.281 1.00 0.00 C ATOM 621 C GLU A 42 3.945 -0.554 6.612 1.00 0.00 C ATOM 622 O GLU A 42 3.153 0.363 6.832 1.00 0.00 O ATOM 623 CB GLU A 42 3.696 -2.898 7.464 1.00 0.00 C ATOM 624 CG GLU A 42 2.511 -3.794 7.784 1.00 0.00 C ATOM 625 CD GLU A 42 2.932 -5.199 8.166 1.00 0.00 C ATOM 626 OE1 GLU A 42 3.764 -5.340 9.087 1.00 0.00 O ATOM 627 OE2 GLU A 42 2.432 -6.159 7.543 1.00 0.00 O ATOM 0 H GLU A 42 4.613 -3.338 5.216 1.00 0.00 H new ATOM 0 HA GLU A 42 2.379 -1.918 6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.564 -3.521 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.941 -2.305 8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.938 -3.355 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.850 -3.839 6.919 1.00 0.00 H new ATOM 634 N ASP A 43 5.262 -0.394 6.647 1.00 0.00 N ATOM 635 CA ASP A 43 5.860 0.896 6.948 1.00 0.00 C ATOM 636 C ASP A 43 5.514 1.921 5.871 1.00 0.00 C ATOM 637 O ASP A 43 5.296 3.094 6.170 1.00 0.00 O ATOM 638 CB ASP A 43 7.379 0.761 7.067 1.00 0.00 C ATOM 639 CG ASP A 43 8.025 1.995 7.662 1.00 0.00 C ATOM 640 OD1 ASP A 43 8.084 3.030 6.965 1.00 0.00 O ATOM 641 OD2 ASP A 43 8.472 1.929 8.827 1.00 0.00 O ATOM 0 H ASP A 43 5.933 -1.141 6.471 1.00 0.00 H new ATOM 0 HA ASP A 43 5.456 1.243 7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.616 -0.104 7.686 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.802 0.573 6.080 1.00 0.00 H new ATOM 646 N TRP A 44 5.488 1.480 4.614 1.00 0.00 N ATOM 647 CA TRP A 44 5.195 2.390 3.512 1.00 0.00 C ATOM 648 C TRP A 44 3.805 3.004 3.668 1.00 0.00 C ATOM 649 O TRP A 44 3.643 4.223 3.572 1.00 0.00 O ATOM 650 CB TRP A 44 5.274 1.645 2.177 1.00 0.00 C ATOM 651 CG TRP A 44 6.652 1.597 1.590 1.00 0.00 C ATOM 652 CD1 TRP A 44 7.714 2.396 1.908 1.00 0.00 C ATOM 653 CD2 TRP A 44 7.116 0.700 0.576 1.00 0.00 C ATOM 654 NE1 TRP A 44 8.807 2.051 1.150 1.00 0.00 N ATOM 655 CE2 TRP A 44 8.465 1.012 0.325 1.00 0.00 C ATOM 656 CE3 TRP A 44 6.520 -0.339 -0.145 1.00 0.00 C ATOM 657 CZ2 TRP A 44 9.226 0.323 -0.617 1.00 0.00 C ATOM 658 CZ3 TRP A 44 7.276 -1.022 -1.079 1.00 0.00 C ATOM 659 CH2 TRP A 44 8.616 -0.689 -1.308 1.00 0.00 C ATOM 0 H TRP A 44 5.663 0.514 4.338 1.00 0.00 H new ATOM 0 HA TRP A 44 5.936 3.189 3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 44 4.914 0.626 2.319 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.602 2.124 1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.697 3.183 2.647 1.00 0.00 H new ATOM 0 HE1 TRP A 44 9.724 2.496 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 44 5.487 -0.603 0.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 10.260 0.578 -0.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.825 -1.826 -1.642 1.00 0.00 H new ATOM 0 HH2 TRP A 44 9.180 -1.242 -2.045 1.00 0.00 H new ATOM 670 N MET A 45 2.802 2.166 3.902 1.00 0.00 N ATOM 671 CA MET A 45 1.435 2.648 4.057 1.00 0.00 C ATOM 672 C MET A 45 1.280 3.470 5.331 1.00 0.00 C ATOM 673 O MET A 45 0.502 4.422 5.370 1.00 0.00 O ATOM 674 CB MET A 45 0.436 1.484 4.050 1.00 0.00 C ATOM 675 CG MET A 45 0.846 0.305 4.919 1.00 0.00 C ATOM 676 SD MET A 45 0.652 -1.280 4.080 1.00 0.00 S ATOM 677 CE MET A 45 -1.081 -1.619 4.380 1.00 0.00 C ATOM 0 H MET A 45 2.908 1.155 3.988 1.00 0.00 H new ATOM 0 HA MET A 45 1.218 3.294 3.206 1.00 0.00 H new ATOM 0 HB2 MET A 45 -0.534 1.850 4.388 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.306 1.137 3.025 1.00 0.00 H new ATOM 0 HG2 MET A 45 1.886 0.426 5.221 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.247 0.305 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.351 -2.570 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.261 -1.671 5.454 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.687 -0.823 3.949 1.00 0.00 H new ATOM 687 N ASN A 46 2.020 3.103 6.374 1.00 0.00 N ATOM 688 CA ASN A 46 1.949 3.822 7.640 1.00 0.00 C ATOM 689 C ASN A 46 2.574 5.208 7.513 1.00 0.00 C ATOM 690 O ASN A 46 2.121 6.164 8.147 1.00 0.00 O ATOM 691 CB ASN A 46 2.648 3.027 8.743 1.00 0.00 C ATOM 692 CG ASN A 46 1.903 3.090 10.062 1.00 0.00 C ATOM 693 OD1 ASN A 46 0.679 3.216 10.092 1.00 0.00 O ATOM 694 ND2 ASN A 46 2.642 3.005 11.161 1.00 0.00 N ATOM 0 H ASN A 46 2.671 2.318 6.367 1.00 0.00 H new ATOM 0 HA ASN A 46 0.898 3.942 7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.744 1.987 8.432 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.658 3.413 8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 46 2.198 3.043 12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.654 2.901 11.088 1.00 0.00 H new ATOM 701 N PHE A 47 3.603 5.328 6.681 1.00 0.00 N ATOM 702 CA PHE A 47 4.241 6.618 6.482 1.00 0.00 C ATOM 703 C PHE A 47 3.334 7.498 5.641 1.00 0.00 C ATOM 704 O PHE A 47 3.217 8.692 5.888 1.00 0.00 O ATOM 705 CB PHE A 47 5.633 6.466 5.837 1.00 0.00 C ATOM 706 CG PHE A 47 5.728 6.929 4.402 1.00 0.00 C ATOM 707 CD1 PHE A 47 5.796 8.281 4.085 1.00 0.00 C ATOM 708 CD2 PHE A 47 5.763 6.006 3.371 1.00 0.00 C ATOM 709 CE1 PHE A 47 5.895 8.694 2.769 1.00 0.00 C ATOM 710 CE2 PHE A 47 5.860 6.414 2.055 1.00 0.00 C ATOM 711 CZ PHE A 47 5.926 7.759 1.754 1.00 0.00 C ATOM 0 H PHE A 47 4.005 4.560 6.143 1.00 0.00 H new ATOM 0 HA PHE A 47 4.396 7.090 7.452 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.355 7.026 6.432 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.926 5.417 5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.771 9.017 4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.714 4.951 3.599 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.948 9.747 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.884 5.681 1.262 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.002 8.080 0.726 1.00 0.00 H new ATOM 721 N TYR A 48 2.672 6.890 4.664 1.00 0.00 N ATOM 722 CA TYR A 48 1.752 7.623 3.810 1.00 0.00 C ATOM 723 C TYR A 48 0.578 8.137 4.633 1.00 0.00 C ATOM 724 O TYR A 48 0.220 9.311 4.558 1.00 0.00 O ATOM 725 CB TYR A 48 1.246 6.730 2.674 1.00 0.00 C ATOM 726 CG TYR A 48 2.207 6.619 1.512 1.00 0.00 C ATOM 727 CD1 TYR A 48 2.738 7.755 0.915 1.00 0.00 C ATOM 728 CD2 TYR A 48 2.582 5.378 1.011 1.00 0.00 C ATOM 729 CE1 TYR A 48 3.615 7.659 -0.149 1.00 0.00 C ATOM 730 CE2 TYR A 48 3.458 5.274 -0.052 1.00 0.00 C ATOM 731 CZ TYR A 48 3.972 6.416 -0.628 1.00 0.00 C ATOM 732 OH TYR A 48 4.845 6.316 -1.686 1.00 0.00 O ATOM 0 H TYR A 48 2.756 5.897 4.446 1.00 0.00 H new ATOM 0 HA TYR A 48 2.281 8.470 3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.050 5.733 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.296 7.122 2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.461 8.730 1.288 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.182 4.481 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.018 8.552 -0.603 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.739 4.302 -0.430 1.00 0.00 H new ATOM 0 HH TYR A 48 4.993 5.371 -1.900 1.00 0.00 H new ATOM 742 N ILE A 49 -0.025 7.244 5.413 1.00 0.00 N ATOM 743 CA ILE A 49 -1.166 7.605 6.243 1.00 0.00 C ATOM 744 C ILE A 49 -0.831 8.760 7.188 1.00 0.00 C ATOM 745 O ILE A 49 -1.583 9.728 7.276 1.00 0.00 O ATOM 746 CB ILE A 49 -1.678 6.402 7.070 1.00 0.00 C ATOM 747 CG1 ILE A 49 -2.943 6.785 7.838 1.00 0.00 C ATOM 748 CG2 ILE A 49 -0.607 5.913 8.025 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.591 5.625 8.561 1.00 0.00 C ATOM 0 H ILE A 49 0.258 6.267 5.486 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.954 7.922 5.560 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.919 5.591 6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.696 7.561 8.563 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.663 7.216 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.988 5.067 8.597 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.271 5.602 7.459 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.333 6.718 8.707 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.482 5.974 9.083 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.870 4.857 7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.888 5.207 9.282 1.00 0.00 H new ATOM 761 N ASN A 50 0.295 8.663 7.893 1.00 0.00 N ATOM 762 CA ASN A 50 0.693 9.717 8.825 1.00 0.00 C ATOM 763 C ASN A 50 1.195 10.951 8.081 1.00 0.00 C ATOM 764 O ASN A 50 1.010 12.082 8.530 1.00 0.00 O ATOM 765 CB ASN A 50 1.775 9.206 9.777 1.00 0.00 C ATOM 766 CG ASN A 50 1.264 8.120 10.702 1.00 0.00 C ATOM 767 OD1 ASN A 50 0.737 8.523 11.853 1.00 0.00 O flip ATOM 768 ND2 ASN A 50 1.343 6.932 10.389 1.00 0.00 N flip ATOM 0 H ASN A 50 0.941 7.876 7.838 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.187 10.000 9.403 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.613 8.821 9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.154 10.037 10.371 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.755 6.667 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.996 6.213 11.024 1.00 0.00 H new ATOM 775 N TYR A 51 1.846 10.715 6.952 1.00 0.00 N ATOM 776 CA TYR A 51 2.405 11.783 6.132 1.00 0.00 C ATOM 777 C TYR A 51 1.314 12.664 5.529 1.00 0.00 C ATOM 778 O TYR A 51 1.338 13.884 5.677 1.00 0.00 O ATOM 779 CB TYR A 51 3.264 11.146 5.034 1.00 0.00 C ATOM 780 CG TYR A 51 3.778 12.080 3.964 1.00 0.00 C ATOM 781 CD1 TYR A 51 3.825 13.456 4.146 1.00 0.00 C ATOM 782 CD2 TYR A 51 4.231 11.563 2.761 1.00 0.00 C ATOM 783 CE1 TYR A 51 4.310 14.287 3.151 1.00 0.00 C ATOM 784 CE2 TYR A 51 4.716 12.381 1.766 1.00 0.00 C ATOM 785 CZ TYR A 51 4.756 13.743 1.964 1.00 0.00 C ATOM 786 OH TYR A 51 5.239 14.567 0.971 1.00 0.00 O ATOM 0 H TYR A 51 2.002 9.779 6.577 1.00 0.00 H new ATOM 0 HA TYR A 51 3.017 12.433 6.757 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.119 10.662 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.679 10.362 4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.479 13.883 5.076 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.203 10.495 2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.339 15.356 3.303 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.063 11.957 0.835 1.00 0.00 H new ATOM 0 HH TYR A 51 5.513 14.026 0.201 1.00 0.00 H new ATOM 796 N TYR A 52 0.369 12.039 4.847 1.00 0.00 N ATOM 797 CA TYR A 52 -0.724 12.770 4.212 1.00 0.00 C ATOM 798 C TYR A 52 -1.744 13.259 5.232 1.00 0.00 C ATOM 799 O TYR A 52 -2.337 14.320 5.060 1.00 0.00 O ATOM 800 CB TYR A 52 -1.413 11.893 3.170 1.00 0.00 C ATOM 801 CG TYR A 52 -0.507 11.483 2.035 1.00 0.00 C ATOM 802 CD1 TYR A 52 0.463 12.350 1.546 1.00 0.00 C ATOM 803 CD2 TYR A 52 -0.618 10.228 1.454 1.00 0.00 C ATOM 804 CE1 TYR A 52 1.297 11.978 0.512 1.00 0.00 C ATOM 805 CE2 TYR A 52 0.210 9.846 0.417 1.00 0.00 C ATOM 806 CZ TYR A 52 1.166 10.725 -0.051 1.00 0.00 C ATOM 807 OH TYR A 52 1.994 10.347 -1.083 1.00 0.00 O ATOM 0 H TYR A 52 0.333 11.028 4.717 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.292 13.644 3.723 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.799 10.998 3.658 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -2.270 12.430 2.764 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.566 13.332 1.983 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.365 9.538 1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.047 12.663 0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.110 8.866 -0.025 1.00 0.00 H new ATOM 0 HH TYR A 52 2.466 9.523 -0.839 1.00 0.00 H new ATOM 817 N ARG A 53 -1.939 12.495 6.300 1.00 0.00 N ATOM 818 CA ARG A 53 -2.888 12.875 7.341 1.00 0.00 C ATOM 819 C ARG A 53 -2.430 14.133 8.080 1.00 0.00 C ATOM 820 O ARG A 53 -3.187 14.713 8.858 1.00 0.00 O ATOM 821 CB ARG A 53 -3.082 11.723 8.329 1.00 0.00 C ATOM 822 CG ARG A 53 -4.166 11.973 9.366 1.00 0.00 C ATOM 823 CD ARG A 53 -3.793 11.379 10.714 1.00 0.00 C ATOM 824 NE ARG A 53 -3.563 9.939 10.633 1.00 0.00 N ATOM 825 CZ ARG A 53 -3.598 9.124 11.683 1.00 0.00 C ATOM 826 NH1 ARG A 53 -3.855 9.602 12.895 1.00 0.00 N ATOM 827 NH2 ARG A 53 -3.377 7.827 11.522 1.00 0.00 N ATOM 0 H ARG A 53 -1.456 11.613 6.468 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.841 13.096 6.860 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.328 10.818 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.139 11.535 8.842 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.329 13.045 9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.106 11.540 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.895 11.869 11.090 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.589 11.579 11.431 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.364 9.535 9.718 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.027 10.599 13.024 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.881 8.972 13.697 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.180 7.455 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.404 7.201 12.327 1.00 0.00 H new ATOM 841 N GLN A 54 -1.194 14.561 7.833 1.00 0.00 N ATOM 842 CA GLN A 54 -0.658 15.749 8.475 1.00 0.00 C ATOM 843 C GLN A 54 -0.345 16.847 7.448 1.00 0.00 C ATOM 844 O GLN A 54 0.031 17.959 7.818 1.00 0.00 O ATOM 845 CB GLN A 54 0.605 15.369 9.269 1.00 0.00 C ATOM 846 CG GLN A 54 1.735 16.385 9.185 1.00 0.00 C ATOM 847 CD GLN A 54 2.921 16.014 10.054 1.00 0.00 C ATOM 848 OE1 GLN A 54 3.246 16.714 11.012 1.00 0.00 O ATOM 849 NE2 GLN A 54 3.578 14.908 9.720 1.00 0.00 N ATOM 0 H GLN A 54 -0.548 14.100 7.192 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.409 16.149 9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.333 15.233 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.970 14.408 8.907 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.062 16.473 8.149 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.361 17.364 9.486 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.274 14.357 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.386 14.610 10.266 1.00 0.00 H new ATOM 858 N GLN A 55 -0.469 16.526 6.158 1.00 0.00 N ATOM 859 CA GLN A 55 -0.158 17.493 5.106 1.00 0.00 C ATOM 860 C GLN A 55 -1.389 17.977 4.336 1.00 0.00 C ATOM 861 O GLN A 55 -1.257 18.803 3.433 1.00 0.00 O ATOM 862 CB GLN A 55 0.837 16.884 4.117 1.00 0.00 C ATOM 863 CG GLN A 55 2.090 16.333 4.771 1.00 0.00 C ATOM 864 CD GLN A 55 3.223 17.339 4.802 1.00 0.00 C ATOM 865 OE1 GLN A 55 3.010 18.538 4.621 1.00 0.00 O ATOM 866 NE2 GLN A 55 4.436 16.853 5.033 1.00 0.00 N ATOM 0 H GLN A 55 -0.779 15.615 5.821 1.00 0.00 H new ATOM 0 HA GLN A 55 0.270 18.361 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.344 16.083 3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 55 1.122 17.643 3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 55 1.857 16.023 5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.415 15.443 4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.565 15.852 5.177 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.239 17.481 5.066 1.00 0.00 H new ATOM 927 N PRO A 60 -11.457 19.472 7.824 1.00 0.00 N ATOM 928 CA PRO A 60 -11.169 18.126 8.333 1.00 0.00 C ATOM 929 C PRO A 60 -12.053 17.042 7.720 1.00 0.00 C ATOM 930 O PRO A 60 -11.704 15.861 7.752 1.00 0.00 O ATOM 931 CB PRO A 60 -11.423 18.235 9.845 1.00 0.00 C ATOM 932 CG PRO A 60 -12.109 19.545 10.049 1.00 0.00 C ATOM 933 CD PRO A 60 -11.673 20.429 8.917 1.00 0.00 C ATOM 0 HA PRO A 60 -10.153 17.825 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.042 17.410 10.198 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -10.487 18.193 10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -13.192 19.421 10.051 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -11.837 19.981 11.010 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -12.434 21.168 8.664 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.763 20.978 9.160 1.00 0.00 H new ATOM 941 N GLN A 61 -13.194 17.434 7.165 1.00 0.00 N ATOM 942 CA GLN A 61 -14.105 16.470 6.558 1.00 0.00 C ATOM 943 C GLN A 61 -13.520 15.892 5.273 1.00 0.00 C ATOM 944 O GLN A 61 -13.577 14.683 5.035 1.00 0.00 O ATOM 945 CB GLN A 61 -15.455 17.124 6.263 1.00 0.00 C ATOM 946 CG GLN A 61 -16.181 17.610 7.506 1.00 0.00 C ATOM 947 CD GLN A 61 -16.892 18.932 7.286 1.00 0.00 C ATOM 948 OE1 GLN A 61 -18.092 18.964 7.013 1.00 0.00 O ATOM 949 NE2 GLN A 61 -16.154 20.029 7.402 1.00 0.00 N ATOM 0 H GLN A 61 -13.509 18.403 7.122 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.248 15.656 7.268 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -15.301 17.967 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.089 16.409 5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -16.907 16.858 7.816 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.466 17.717 8.322 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.163 19.955 7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.578 20.946 7.263 1.00 0.00 H new ATOM 958 N GLU A 62 -12.951 16.762 4.450 1.00 0.00 N ATOM 959 CA GLU A 62 -12.357 16.333 3.191 1.00 0.00 C ATOM 960 C GLU A 62 -11.067 15.559 3.434 1.00 0.00 C ATOM 961 O GLU A 62 -10.866 14.490 2.859 1.00 0.00 O ATOM 962 CB GLU A 62 -12.098 17.530 2.278 1.00 0.00 C ATOM 963 CG GLU A 62 -12.816 17.443 0.941 1.00 0.00 C ATOM 964 CD GLU A 62 -12.446 18.580 0.007 1.00 0.00 C ATOM 965 OE1 GLU A 62 -12.730 19.746 0.353 1.00 0.00 O ATOM 966 OE2 GLU A 62 -11.875 18.306 -1.069 1.00 0.00 O ATOM 0 H GLU A 62 -12.888 17.764 4.630 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.065 15.669 2.695 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.410 18.441 2.790 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.026 17.615 2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.575 16.493 0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.893 17.451 1.109 1.00 0.00 H new ATOM 973 N ARG A 63 -10.195 16.086 4.297 1.00 0.00 N ATOM 974 CA ARG A 63 -8.944 15.399 4.594 1.00 0.00 C ATOM 975 C ARG A 63 -9.250 14.002 5.123 1.00 0.00 C ATOM 976 O ARG A 63 -8.711 13.011 4.634 1.00 0.00 O ATOM 977 CB ARG A 63 -8.080 16.176 5.610 1.00 0.00 C ATOM 978 CG ARG A 63 -8.752 17.386 6.257 1.00 0.00 C ATOM 979 CD ARG A 63 -8.375 18.696 5.567 1.00 0.00 C ATOM 980 NE ARG A 63 -8.108 18.527 4.139 1.00 0.00 N ATOM 981 CZ ARG A 63 -8.993 18.762 3.170 1.00 0.00 C ATOM 982 NH1 ARG A 63 -10.185 19.267 3.450 1.00 0.00 N ATOM 983 NH2 ARG A 63 -8.667 18.526 1.906 1.00 0.00 N ATOM 0 H ARG A 63 -10.331 16.968 4.791 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.369 15.332 3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.772 15.489 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.173 16.512 5.107 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.834 17.259 6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.469 17.437 7.308 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.183 19.416 5.698 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.492 19.115 6.050 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.179 18.207 3.865 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.434 19.481 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.854 19.442 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.741 18.165 1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.343 18.705 1.163 1.00 0.00 H new ATOM 997 N ASP A 64 -10.125 13.932 6.124 1.00 0.00 N ATOM 998 CA ASP A 64 -10.506 12.654 6.717 1.00 0.00 C ATOM 999 C ASP A 64 -11.027 11.699 5.647 1.00 0.00 C ATOM 1000 O ASP A 64 -10.704 10.511 5.655 1.00 0.00 O ATOM 1001 CB ASP A 64 -11.573 12.860 7.792 1.00 0.00 C ATOM 1002 CG ASP A 64 -11.956 11.566 8.483 1.00 0.00 C ATOM 1003 OD1 ASP A 64 -11.273 11.189 9.458 1.00 0.00 O ATOM 1004 OD2 ASP A 64 -12.937 10.928 8.048 1.00 0.00 O ATOM 0 H ASP A 64 -10.582 14.744 6.540 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.620 12.216 7.177 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.205 13.569 8.533 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.460 13.303 7.339 1.00 0.00 H new ATOM 1009 N LYS A 65 -11.826 12.223 4.720 1.00 0.00 N ATOM 1010 CA LYS A 65 -12.369 11.403 3.642 1.00 0.00 C ATOM 1011 C LYS A 65 -11.241 10.870 2.766 1.00 0.00 C ATOM 1012 O LYS A 65 -11.165 9.674 2.480 1.00 0.00 O ATOM 1013 CB LYS A 65 -13.355 12.218 2.799 1.00 0.00 C ATOM 1014 CG LYS A 65 -13.901 11.465 1.592 1.00 0.00 C ATOM 1015 CD LYS A 65 -13.732 12.264 0.307 1.00 0.00 C ATOM 1016 CE LYS A 65 -12.660 11.664 -0.589 1.00 0.00 C ATOM 1017 NZ LYS A 65 -11.821 12.712 -1.231 1.00 0.00 N ATOM 0 H LYS A 65 -12.109 13.203 4.694 1.00 0.00 H new ATOM 0 HA LYS A 65 -12.901 10.558 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -14.188 12.528 3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.860 13.127 2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.387 10.509 1.496 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.957 11.245 1.748 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.680 12.295 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -13.469 13.294 0.550 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.025 11.001 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.131 11.054 -1.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.103 12.261 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.422 13.330 -1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.351 13.278 -0.496 1.00 0.00 H new ATOM 1031 N ALA A 66 -10.362 11.769 2.350 1.00 0.00 N ATOM 1032 CA ALA A 66 -9.228 11.398 1.515 1.00 0.00 C ATOM 1033 C ALA A 66 -8.335 10.398 2.240 1.00 0.00 C ATOM 1034 O ALA A 66 -7.799 9.470 1.633 1.00 0.00 O ATOM 1035 CB ALA A 66 -8.436 12.638 1.122 1.00 0.00 C ATOM 0 H ALA A 66 -10.412 12.762 2.577 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.603 10.924 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.591 12.347 0.498 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.080 13.320 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.070 13.136 2.020 1.00 0.00 H new ATOM 1041 N LEU A 67 -8.179 10.599 3.544 1.00 0.00 N ATOM 1042 CA LEU A 67 -7.352 9.727 4.367 1.00 0.00 C ATOM 1043 C LEU A 67 -7.897 8.301 4.379 1.00 0.00 C ATOM 1044 O LEU A 67 -7.137 7.337 4.266 1.00 0.00 O ATOM 1045 CB LEU A 67 -7.280 10.270 5.798 1.00 0.00 C ATOM 1046 CG LEU A 67 -6.116 11.229 6.094 1.00 0.00 C ATOM 1047 CD1 LEU A 67 -5.611 11.900 4.823 1.00 0.00 C ATOM 1048 CD2 LEU A 67 -6.546 12.276 7.113 1.00 0.00 C ATOM 0 H LEU A 67 -8.618 11.364 4.056 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.351 9.705 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.215 10.785 6.018 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.213 9.425 6.484 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.295 10.645 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.788 12.571 5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.263 11.140 4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.420 12.470 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.714 12.950 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.386 12.846 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.846 11.782 8.037 1.00 0.00 H new ATOM 1060 N GLN A 68 -9.217 8.167 4.506 1.00 0.00 N ATOM 1061 CA GLN A 68 -9.838 6.850 4.520 1.00 0.00 C ATOM 1062 C GLN A 68 -9.718 6.196 3.152 1.00 0.00 C ATOM 1063 O GLN A 68 -9.578 4.978 3.044 1.00 0.00 O ATOM 1064 CB GLN A 68 -11.309 6.942 4.944 1.00 0.00 C ATOM 1065 CG GLN A 68 -12.200 7.669 3.949 1.00 0.00 C ATOM 1066 CD GLN A 68 -13.614 7.120 3.925 1.00 0.00 C ATOM 1067 OE1 GLN A 68 -13.835 5.959 3.577 1.00 0.00 O ATOM 1068 NE2 GLN A 68 -14.578 7.955 4.293 1.00 0.00 N ATOM 0 H GLN A 68 -9.868 8.947 4.599 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.314 6.233 5.250 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -11.696 5.934 5.093 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.367 7.451 5.906 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.230 8.729 4.200 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.766 7.590 2.952 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.348 8.908 4.574 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.549 7.643 4.295 1.00 0.00 H new ATOM 1077 N GLU A 69 -9.763 7.016 2.108 1.00 0.00 N ATOM 1078 CA GLU A 69 -9.649 6.515 0.749 1.00 0.00 C ATOM 1079 C GLU A 69 -8.258 5.951 0.504 1.00 0.00 C ATOM 1080 O GLU A 69 -8.106 4.896 -0.113 1.00 0.00 O ATOM 1081 CB GLU A 69 -9.958 7.621 -0.261 1.00 0.00 C ATOM 1082 CG GLU A 69 -10.353 7.099 -1.633 1.00 0.00 C ATOM 1083 CD GLU A 69 -11.835 6.797 -1.739 1.00 0.00 C ATOM 1084 OE1 GLU A 69 -12.643 7.744 -1.631 1.00 0.00 O ATOM 1085 OE2 GLU A 69 -12.188 5.614 -1.931 1.00 0.00 O ATOM 0 H GLU A 69 -9.877 8.027 2.179 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.377 5.714 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.765 8.242 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.083 8.263 -0.364 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.081 7.835 -2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.785 6.194 -1.850 1.00 0.00 H new ATOM 1092 N LEU A 70 -7.241 6.647 1.001 1.00 0.00 N ATOM 1093 CA LEU A 70 -5.869 6.189 0.838 1.00 0.00 C ATOM 1094 C LEU A 70 -5.689 4.854 1.546 1.00 0.00 C ATOM 1095 O LEU A 70 -5.162 3.900 0.975 1.00 0.00 O ATOM 1096 CB LEU A 70 -4.882 7.224 1.388 1.00 0.00 C ATOM 1097 CG LEU A 70 -4.294 8.176 0.344 1.00 0.00 C ATOM 1098 CD1 LEU A 70 -3.931 9.508 0.981 1.00 0.00 C ATOM 1099 CD2 LEU A 70 -3.075 7.550 -0.316 1.00 0.00 C ATOM 0 H LEU A 70 -7.340 7.522 1.515 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.664 6.061 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.387 7.814 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.064 6.698 1.880 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.048 8.357 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.514 10.172 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.825 9.962 1.410 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.193 9.346 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.668 8.239 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.318 7.342 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.364 6.620 -0.806 1.00 0.00 H new ATOM 1111 N ARG A 71 -6.133 4.795 2.797 1.00 0.00 N ATOM 1112 CA ARG A 71 -6.023 3.576 3.589 1.00 0.00 C ATOM 1113 C ARG A 71 -6.679 2.405 2.865 1.00 0.00 C ATOM 1114 O ARG A 71 -6.091 1.329 2.745 1.00 0.00 O ATOM 1115 CB ARG A 71 -6.673 3.772 4.960 1.00 0.00 C ATOM 1116 CG ARG A 71 -6.610 2.541 5.849 1.00 0.00 C ATOM 1117 CD ARG A 71 -7.134 2.836 7.244 1.00 0.00 C ATOM 1118 NE ARG A 71 -8.472 3.423 7.214 1.00 0.00 N ATOM 1119 CZ ARG A 71 -9.589 2.715 7.065 1.00 0.00 C ATOM 1120 NH1 ARG A 71 -9.534 1.397 6.925 1.00 0.00 N ATOM 1121 NH2 ARG A 71 -10.765 3.327 7.056 1.00 0.00 N ATOM 0 H ARG A 71 -6.572 5.577 3.284 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.965 3.353 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.183 4.602 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.716 4.055 4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.195 1.737 5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.580 2.189 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.156 1.914 7.825 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.451 3.517 7.751 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.555 4.435 7.313 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.632 0.921 6.931 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.394 0.860 6.811 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.813 4.340 7.163 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -11.621 2.785 6.942 1.00 0.00 H new ATOM 1135 N GLN A 72 -7.895 2.620 2.372 1.00 0.00 N ATOM 1136 CA GLN A 72 -8.613 1.575 1.651 1.00 0.00 C ATOM 1137 C GLN A 72 -7.801 1.114 0.445 1.00 0.00 C ATOM 1138 O GLN A 72 -7.683 -0.086 0.175 1.00 0.00 O ATOM 1139 CB GLN A 72 -9.983 2.082 1.198 1.00 0.00 C ATOM 1140 CG GLN A 72 -11.049 0.998 1.156 1.00 0.00 C ATOM 1141 CD GLN A 72 -11.203 0.388 -0.223 1.00 0.00 C ATOM 1142 OE1 GLN A 72 -10.594 -0.635 -0.535 1.00 0.00 O ATOM 1143 NE2 GLN A 72 -12.023 1.016 -1.058 1.00 0.00 N ATOM 0 H GLN A 72 -8.401 3.502 2.458 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.759 0.729 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -10.309 2.875 1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.888 2.525 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -10.794 0.215 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -12.003 1.419 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -12.508 1.862 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.168 0.653 -2.000 1.00 0.00 H new ATOM 1152 N GLU A 73 -7.236 2.080 -0.273 1.00 0.00 N ATOM 1153 CA GLU A 73 -6.428 1.790 -1.450 1.00 0.00 C ATOM 1154 C GLU A 73 -5.272 0.858 -1.105 1.00 0.00 C ATOM 1155 O GLU A 73 -5.001 -0.094 -1.832 1.00 0.00 O ATOM 1156 CB GLU A 73 -5.892 3.088 -2.057 1.00 0.00 C ATOM 1157 CG GLU A 73 -6.927 3.855 -2.866 1.00 0.00 C ATOM 1158 CD GLU A 73 -7.350 3.116 -4.121 1.00 0.00 C ATOM 1159 OE1 GLU A 73 -6.538 3.037 -5.066 1.00 0.00 O ATOM 1160 OE2 GLU A 73 -8.494 2.616 -4.158 1.00 0.00 O ATOM 0 H GLU A 73 -7.324 3.073 -0.058 1.00 0.00 H new ATOM 0 HA GLU A 73 -7.063 1.290 -2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -5.522 3.728 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -5.042 2.855 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.803 4.041 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.520 4.828 -3.141 1.00 0.00 H new ATOM 1167 N LEU A 74 -4.589 1.135 0.003 1.00 0.00 N ATOM 1168 CA LEU A 74 -3.466 0.307 0.425 1.00 0.00 C ATOM 1169 C LEU A 74 -3.938 -1.087 0.837 1.00 0.00 C ATOM 1170 O LEU A 74 -3.336 -2.089 0.465 1.00 0.00 O ATOM 1171 CB LEU A 74 -2.721 0.976 1.581 1.00 0.00 C ATOM 1172 CG LEU A 74 -2.132 2.349 1.253 1.00 0.00 C ATOM 1173 CD1 LEU A 74 -2.279 3.293 2.437 1.00 0.00 C ATOM 1174 CD2 LEU A 74 -0.672 2.216 0.848 1.00 0.00 C ATOM 0 H LEU A 74 -4.793 1.921 0.620 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.786 0.200 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.405 1.081 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.915 0.318 1.905 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.685 2.770 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.854 4.264 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.335 3.411 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.753 2.881 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.267 3.201 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.106 1.774 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.595 1.577 -0.032 1.00 0.00 H new ATOM 1186 N ASN A 75 -5.009 -1.144 1.622 1.00 0.00 N ATOM 1187 CA ASN A 75 -5.542 -2.423 2.090 1.00 0.00 C ATOM 1188 C ASN A 75 -5.789 -3.369 0.918 1.00 0.00 C ATOM 1189 O ASN A 75 -5.491 -4.562 0.991 1.00 0.00 O ATOM 1190 CB ASN A 75 -6.841 -2.201 2.869 1.00 0.00 C ATOM 1191 CG ASN A 75 -6.832 -2.892 4.217 1.00 0.00 C ATOM 1192 OD1 ASN A 75 -6.689 -4.112 4.303 1.00 0.00 O ATOM 1193 ND2 ASN A 75 -6.985 -2.112 5.281 1.00 0.00 N ATOM 0 H ASN A 75 -5.524 -0.326 1.947 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.805 -2.879 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.997 -1.132 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.682 -2.569 2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.987 -2.520 6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.100 -1.105 5.163 1.00 0.00 H new ATOM 1200 N THR A 76 -6.312 -2.817 -0.168 1.00 0.00 N ATOM 1201 CA THR A 76 -6.567 -3.621 -1.361 1.00 0.00 C ATOM 1202 C THR A 76 -5.287 -3.795 -2.179 1.00 0.00 C ATOM 1203 O THR A 76 -4.925 -4.906 -2.555 1.00 0.00 O ATOM 1204 CB THR A 76 -7.669 -2.989 -2.216 1.00 0.00 C ATOM 1205 OG1 THR A 76 -7.895 -3.757 -3.386 1.00 0.00 O ATOM 1206 CG2 THR A 76 -7.364 -1.571 -2.654 1.00 0.00 C ATOM 0 H THR A 76 -6.565 -1.832 -0.251 1.00 0.00 H new ATOM 0 HA THR A 76 -6.906 -4.606 -1.040 1.00 0.00 H new ATOM 0 HB THR A 76 -8.549 -2.968 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.603 -3.340 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 76 -8.190 -1.190 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.233 -0.939 -1.776 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.449 -1.562 -3.247 1.00 0.00 H new ATOM 1214 N LEU A 77 -4.629 -2.681 -2.466 1.00 0.00 N ATOM 1215 CA LEU A 77 -3.402 -2.671 -3.261 1.00 0.00 C ATOM 1216 C LEU A 77 -2.338 -3.631 -2.717 1.00 0.00 C ATOM 1217 O LEU A 77 -1.708 -4.364 -3.479 1.00 0.00 O ATOM 1218 CB LEU A 77 -2.835 -1.250 -3.305 1.00 0.00 C ATOM 1219 CG LEU A 77 -3.496 -0.315 -4.322 1.00 0.00 C ATOM 1220 CD1 LEU A 77 -2.782 1.027 -4.351 1.00 0.00 C ATOM 1221 CD2 LEU A 77 -3.506 -0.946 -5.706 1.00 0.00 C ATOM 0 H LEU A 77 -4.928 -1.756 -2.156 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.662 -3.011 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.930 -0.807 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.770 -1.308 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.529 -0.150 -4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.264 1.680 -5.079 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.830 1.486 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.739 0.878 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.980 -0.265 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.482 -1.143 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.063 -1.882 -5.675 1.00 0.00 H new ATOM 1233 N ALA A 78 -2.123 -3.599 -1.407 1.00 0.00 N ATOM 1234 CA ALA A 78 -1.112 -4.442 -0.765 1.00 0.00 C ATOM 1235 C ALA A 78 -1.544 -5.905 -0.644 1.00 0.00 C ATOM 1236 O ALA A 78 -0.702 -6.801 -0.581 1.00 0.00 O ATOM 1237 CB ALA A 78 -0.768 -3.886 0.608 1.00 0.00 C ATOM 0 H ALA A 78 -2.636 -2.997 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.231 -4.424 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.016 -4.519 1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.377 -2.874 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.665 -3.866 1.228 1.00 0.00 H new ATOM 1243 N ASN A 79 -2.848 -6.140 -0.545 1.00 0.00 N ATOM 1244 CA ASN A 79 -3.362 -7.496 -0.352 1.00 0.00 C ATOM 1245 C ASN A 79 -2.787 -8.499 -1.360 1.00 0.00 C ATOM 1246 O ASN A 79 -2.346 -9.580 -0.969 1.00 0.00 O ATOM 1247 CB ASN A 79 -4.890 -7.492 -0.445 1.00 0.00 C ATOM 1248 CG ASN A 79 -5.521 -8.605 0.366 1.00 0.00 C ATOM 1249 OD1 ASN A 79 -5.485 -9.772 -0.025 1.00 0.00 O ATOM 1250 ND2 ASN A 79 -6.107 -8.250 1.503 1.00 0.00 N ATOM 0 H ASN A 79 -3.566 -5.417 -0.594 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.045 -7.818 0.640 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -5.270 -6.532 -0.096 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -5.188 -7.593 -1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.551 -8.956 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.114 -7.271 1.789 1.00 0.00 H new ATOM 1257 N PRO A 80 -2.785 -8.182 -2.663 1.00 0.00 N ATOM 1258 CA PRO A 80 -2.260 -9.096 -3.687 1.00 0.00 C ATOM 1259 C PRO A 80 -0.734 -9.232 -3.662 1.00 0.00 C ATOM 1260 O PRO A 80 -0.188 -10.231 -4.136 1.00 0.00 O ATOM 1261 CB PRO A 80 -2.716 -8.453 -4.998 1.00 0.00 C ATOM 1262 CG PRO A 80 -2.844 -7.005 -4.682 1.00 0.00 C ATOM 1263 CD PRO A 80 -3.299 -6.932 -3.250 1.00 0.00 C ATOM 0 HA PRO A 80 -2.623 -10.112 -3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -1.992 -8.622 -5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.665 -8.870 -5.335 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.892 -6.491 -4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.563 -6.523 -5.345 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.895 -6.055 -2.744 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.385 -6.870 -3.176 1.00 0.00 H new ATOM 1271 N PHE A 81 -0.048 -8.235 -3.106 1.00 0.00 N ATOM 1272 CA PHE A 81 1.416 -8.251 -3.027 1.00 0.00 C ATOM 1273 C PHE A 81 1.909 -9.264 -1.999 1.00 0.00 C ATOM 1274 O PHE A 81 2.746 -10.116 -2.300 1.00 0.00 O ATOM 1275 CB PHE A 81 1.918 -6.850 -2.655 1.00 0.00 C ATOM 1276 CG PHE A 81 3.396 -6.614 -2.862 1.00 0.00 C ATOM 1277 CD1 PHE A 81 4.270 -7.652 -3.166 1.00 0.00 C ATOM 1278 CD2 PHE A 81 3.911 -5.332 -2.747 1.00 0.00 C ATOM 1279 CE1 PHE A 81 5.618 -7.411 -3.347 1.00 0.00 C ATOM 1280 CE2 PHE A 81 5.259 -5.088 -2.927 1.00 0.00 C ATOM 1281 CZ PHE A 81 6.113 -6.127 -3.227 1.00 0.00 C ATOM 0 H PHE A 81 -0.481 -7.404 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 81 1.809 -8.544 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.365 -6.117 -3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.681 -6.664 -1.607 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.890 -8.659 -3.262 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.249 -4.512 -2.513 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.285 -8.227 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.643 -4.083 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.167 -5.938 -3.368 1.00 0.00 H new ATOM 1291 N LEU A 82 1.390 -9.164 -0.784 1.00 0.00 N ATOM 1292 CA LEU A 82 1.789 -10.068 0.285 1.00 0.00 C ATOM 1293 C LEU A 82 1.467 -11.512 -0.073 1.00 0.00 C ATOM 1294 O LEU A 82 2.325 -12.389 0.027 1.00 0.00 O ATOM 1295 CB LEU A 82 1.105 -9.680 1.598 1.00 0.00 C ATOM 1296 CG LEU A 82 1.277 -8.216 2.009 1.00 0.00 C ATOM 1297 CD1 LEU A 82 0.626 -7.959 3.360 1.00 0.00 C ATOM 1298 CD2 LEU A 82 2.753 -7.842 2.043 1.00 0.00 C ATOM 0 H LEU A 82 0.694 -8.469 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 82 2.868 -9.982 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.040 -9.895 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.495 -10.314 2.395 1.00 0.00 H new ATOM 0 HG LEU A 82 0.781 -7.589 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.759 -6.913 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.438 -8.186 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.090 -8.594 4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.857 -6.798 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.272 -8.475 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.188 -7.985 1.054 1.00 0.00 H new ATOM 1310 N ALA A 83 0.233 -11.759 -0.492 1.00 0.00 N ATOM 1311 CA ALA A 83 -0.178 -13.105 -0.863 1.00 0.00 C ATOM 1312 C ALA A 83 0.713 -13.654 -1.962 1.00 0.00 C ATOM 1313 O ALA A 83 1.222 -14.770 -1.861 1.00 0.00 O ATOM 1314 CB ALA A 83 -1.638 -13.124 -1.289 1.00 0.00 C ATOM 0 H ALA A 83 -0.495 -11.051 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.073 -13.747 0.011 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.924 -14.140 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.262 -12.780 -0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.775 -12.465 -2.147 1.00 0.00 H new ATOM 1320 N LYS A 84 0.921 -12.860 -3.005 1.00 0.00 N ATOM 1321 CA LYS A 84 1.779 -13.280 -4.104 1.00 0.00 C ATOM 1322 C LYS A 84 3.169 -13.612 -3.575 1.00 0.00 C ATOM 1323 O LYS A 84 3.733 -14.661 -3.885 1.00 0.00 O ATOM 1324 CB LYS A 84 1.872 -12.181 -5.166 1.00 0.00 C ATOM 1325 CG LYS A 84 0.893 -12.361 -6.314 1.00 0.00 C ATOM 1326 CD LYS A 84 1.588 -12.874 -7.566 1.00 0.00 C ATOM 1327 CE LYS A 84 1.933 -11.738 -8.516 1.00 0.00 C ATOM 1328 NZ LYS A 84 3.198 -11.055 -8.127 1.00 0.00 N ATOM 0 H LYS A 84 0.512 -11.932 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 84 1.347 -14.168 -4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.692 -11.215 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.886 -12.157 -5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.110 -13.060 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.406 -11.410 -6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.498 -13.405 -7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.943 -13.591 -8.074 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.028 -12.128 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.118 -11.014 -8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.707 -10.754 -8.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.978 -10.222 -7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.793 -11.711 -7.582 1.00 0.00 H new ATOM 1342 N TYR A 85 3.718 -12.697 -2.779 1.00 0.00 N ATOM 1343 CA TYR A 85 5.049 -12.893 -2.223 1.00 0.00 C ATOM 1344 C TYR A 85 5.129 -14.199 -1.431 1.00 0.00 C ATOM 1345 O TYR A 85 6.025 -15.008 -1.666 1.00 0.00 O ATOM 1346 CB TYR A 85 5.470 -11.710 -1.353 1.00 0.00 C ATOM 1347 CG TYR A 85 6.912 -11.314 -1.577 1.00 0.00 C ATOM 1348 CD1 TYR A 85 7.287 -10.583 -2.698 1.00 0.00 C ATOM 1349 CD2 TYR A 85 7.902 -11.686 -0.678 1.00 0.00 C ATOM 1350 CE1 TYR A 85 8.607 -10.231 -2.913 1.00 0.00 C ATOM 1351 CE2 TYR A 85 9.224 -11.339 -0.884 1.00 0.00 C ATOM 1352 CZ TYR A 85 9.571 -10.612 -2.003 1.00 0.00 C ATOM 1353 OH TYR A 85 10.887 -10.265 -2.213 1.00 0.00 O ATOM 0 H TYR A 85 3.266 -11.824 -2.509 1.00 0.00 H new ATOM 0 HA TYR A 85 5.745 -12.958 -3.060 1.00 0.00 H new ATOM 0 HB2 TYR A 85 4.825 -10.858 -1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.325 -11.965 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.535 -10.285 -3.413 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.634 -12.257 0.199 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.881 -9.661 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 85 9.981 -11.636 -0.173 1.00 0.00 H new ATOM 0 HH TYR A 85 10.928 -9.420 -2.708 1.00 0.00 H new ATOM 1363 N ARG A 86 4.198 -14.417 -0.497 1.00 0.00 N ATOM 1364 CA ARG A 86 4.212 -15.648 0.293 1.00 0.00 C ATOM 1365 C ARG A 86 4.206 -16.862 -0.630 1.00 0.00 C ATOM 1366 O ARG A 86 4.870 -17.866 -0.370 1.00 0.00 O ATOM 1367 CB ARG A 86 3.003 -15.700 1.230 1.00 0.00 C ATOM 1368 CG ARG A 86 3.307 -15.217 2.640 1.00 0.00 C ATOM 1369 CD ARG A 86 2.285 -15.735 3.639 1.00 0.00 C ATOM 1370 NE ARG A 86 1.096 -14.887 3.696 1.00 0.00 N ATOM 1371 CZ ARG A 86 0.036 -15.035 2.903 1.00 0.00 C ATOM 1372 NH1 ARG A 86 0.007 -15.995 1.987 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -1.001 -14.218 3.028 1.00 0.00 N ATOM 0 H ARG A 86 3.441 -13.771 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 86 5.120 -15.661 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.202 -15.091 0.811 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.634 -16.724 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.303 -15.548 2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.315 -14.127 2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.994 -16.750 3.367 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.740 -15.788 4.628 1.00 0.00 H new ATOM 0 HE ARG A 86 1.077 -14.136 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.801 -16.627 1.886 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.809 -16.100 1.384 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.986 -13.478 3.730 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.814 -14.329 2.422 1.00 0.00 H new ATOM 1387 N ASP A 87 3.467 -16.736 -1.723 1.00 0.00 N ATOM 1388 CA ASP A 87 3.384 -17.800 -2.713 1.00 0.00 C ATOM 1389 C ASP A 87 4.765 -18.043 -3.317 1.00 0.00 C ATOM 1390 O ASP A 87 5.175 -19.185 -3.544 1.00 0.00 O ATOM 1391 CB ASP A 87 2.382 -17.437 -3.811 1.00 0.00 C ATOM 1392 CG ASP A 87 1.533 -18.621 -4.231 1.00 0.00 C ATOM 1393 OD1 ASP A 87 2.001 -19.419 -5.071 1.00 0.00 O ATOM 1394 OD2 ASP A 87 0.402 -18.752 -3.720 1.00 0.00 O ATOM 0 H ASP A 87 2.916 -15.907 -1.947 1.00 0.00 H new ATOM 0 HA ASP A 87 3.038 -18.711 -2.225 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.734 -16.635 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.920 -17.053 -4.678 1.00 0.00 H new ATOM 1399 N PHE A 88 5.484 -16.951 -3.552 1.00 0.00 N ATOM 1400 CA PHE A 88 6.828 -17.016 -4.109 1.00 0.00 C ATOM 1401 C PHE A 88 7.787 -17.660 -3.112 1.00 0.00 C ATOM 1402 O PHE A 88 8.622 -18.484 -3.479 1.00 0.00 O ATOM 1403 CB PHE A 88 7.308 -15.608 -4.478 1.00 0.00 C ATOM 1404 CG PHE A 88 8.764 -15.538 -4.841 1.00 0.00 C ATOM 1405 CD1 PHE A 88 9.173 -15.717 -6.151 1.00 0.00 C ATOM 1406 CD2 PHE A 88 9.720 -15.298 -3.869 1.00 0.00 C ATOM 1407 CE1 PHE A 88 10.512 -15.659 -6.485 1.00 0.00 C ATOM 1408 CE2 PHE A 88 11.060 -15.239 -4.197 1.00 0.00 C ATOM 1409 CZ PHE A 88 11.457 -15.420 -5.506 1.00 0.00 C ATOM 0 H PHE A 88 5.155 -16.004 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 88 6.807 -17.629 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.716 -15.241 -5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.120 -14.939 -3.638 1.00 0.00 H new ATOM 0 HD1 PHE A 88 8.438 -15.904 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.414 -15.155 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.820 -15.800 -7.510 1.00 0.00 H new ATOM 0 HE2 PHE A 88 11.797 -15.051 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.505 -15.375 -5.765 1.00 0.00 H new ATOM 1419 N LEU A 89 7.647 -17.284 -1.846 1.00 0.00 N ATOM 1420 CA LEU A 89 8.490 -17.832 -0.789 1.00 0.00 C ATOM 1421 C LEU A 89 8.240 -19.330 -0.652 1.00 0.00 C ATOM 1422 O LEU A 89 9.176 -20.129 -0.599 1.00 0.00 O ATOM 1423 CB LEU A 89 8.203 -17.128 0.541 1.00 0.00 C ATOM 1424 CG LEU A 89 9.035 -15.870 0.817 1.00 0.00 C ATOM 1425 CD1 LEU A 89 10.441 -16.246 1.252 1.00 0.00 C ATOM 1426 CD2 LEU A 89 9.080 -14.968 -0.408 1.00 0.00 C ATOM 0 H LEU A 89 6.959 -16.603 -1.526 1.00 0.00 H new ATOM 0 HA LEU A 89 9.535 -17.666 -1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.148 -16.857 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.371 -17.838 1.351 1.00 0.00 H new ATOM 0 HG LEU A 89 8.557 -15.319 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.017 -15.341 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.393 -16.844 2.162 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.924 -16.823 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.676 -14.083 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.529 -15.508 -1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.067 -14.666 -0.675 1.00 0.00 H new ATOM 1438 N LYS A 90 6.965 -19.700 -0.622 1.00 0.00 N ATOM 1439 CA LYS A 90 6.565 -21.099 -0.521 1.00 0.00 C ATOM 1440 C LYS A 90 7.006 -21.863 -1.765 1.00 0.00 C ATOM 1441 O LYS A 90 7.229 -23.073 -1.722 1.00 0.00 O ATOM 1442 CB LYS A 90 5.050 -21.209 -0.346 1.00 0.00 C ATOM 1443 CG LYS A 90 4.534 -20.555 0.927 1.00 0.00 C ATOM 1444 CD LYS A 90 3.853 -21.561 1.842 1.00 0.00 C ATOM 1445 CE LYS A 90 2.546 -21.017 2.395 1.00 0.00 C ATOM 1446 NZ LYS A 90 2.708 -20.469 3.770 1.00 0.00 N ATOM 0 H LYS A 90 6.185 -19.045 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 90 7.049 -21.537 0.352 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.559 -20.750 -1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.769 -22.262 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.363 -20.085 1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 90 3.831 -19.763 0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.661 -22.482 1.292 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.520 -21.815 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.170 -20.235 1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.799 -21.811 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.794 -20.108 4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.042 -21.221 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.402 -19.694 3.755 1.00 0.00 H new ATOM 1460 N SER A 91 7.135 -21.136 -2.872 1.00 0.00 N ATOM 1461 CA SER A 91 7.559 -21.726 -4.137 1.00 0.00 C ATOM 1462 C SER A 91 9.020 -22.189 -4.087 1.00 0.00 C ATOM 1463 O SER A 91 9.504 -22.817 -5.029 1.00 0.00 O ATOM 1464 CB SER A 91 7.373 -20.721 -5.275 1.00 0.00 C ATOM 1465 OG SER A 91 7.603 -21.329 -6.535 1.00 0.00 O ATOM 0 H SER A 91 6.951 -20.134 -2.917 1.00 0.00 H new ATOM 0 HA SER A 91 6.936 -22.602 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.362 -20.314 -5.243 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.058 -19.884 -5.141 1.00 0.00 H new ATOM 0 HG SER A 91 8.278 -22.033 -6.440 1.00 0.00 H new