USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 549 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 57 CYS SG : rot 152:sc= 0.947 USER MOD Set 1.2: A 60 CYS SG : rot -75:sc= -2.57 USER MOD Set 1.3: A 73 HIS : no HE2:sc= -4.5 K(o=-8.5,f=-9.3) USER MOD Set 1.4: A 74 THR OG1 : rot 74:sc= 0.193 USER MOD Set 1.5: A 78 HIS : no HD1:sc= -2.52 X(o=-8.5,f=-8.6!) USER MOD Set 2.1: A 27 CYS SG : rot 110:sc= 0.651 USER MOD Set 2.2: A 30 CYS SG : rot -86:sc= -4.52! USER MOD Set 2.3: A 44 HIS :FLIP no HD1:sc= -1.89 F(o=-6!,f=-5.1) USER MOD Set 2.4: A 48 CYS SG : rot 170:sc= 0.671 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -3.55! C(o=-3.5!,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -6.88! C(o=-6.9!,f=-7.1!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -54:sc= 0.881 USER MOD Single : A 42 LYS NZ :NH3+ 149:sc= -3.34! (180deg=-4.08!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 135:sc= -0.178 (180deg=-1.28) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ -143:sc= -0.111 (180deg=-1.25) USER MOD Single : A 52 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.8!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 59 HIS : no HD1:sc=-0.00343 X(o=-0.0034,f=-0.0034) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc=-0.00491 (180deg=-0.119) USER MOD Single : A 63 GLN : amide:sc= -2.62! C(o=-2.6!,f=-18!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.33 F(o=-2.2!,f=-1.3) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 94 N PRO A 11 -3.160 15.408 -7.693 1.00 0.00 N ATOM 95 CA PRO A 11 -2.586 14.139 -8.150 1.00 0.00 C ATOM 96 C PRO A 11 -1.371 14.343 -9.049 1.00 0.00 C ATOM 97 O PRO A 11 -0.803 13.382 -9.566 1.00 0.00 O ATOM 98 CB PRO A 11 -3.730 13.494 -8.936 1.00 0.00 C ATOM 99 CG PRO A 11 -4.571 14.638 -9.387 1.00 0.00 C ATOM 100 CD PRO A 11 -4.471 15.678 -8.306 1.00 0.00 C ATOM 0 HA PRO A 11 -2.226 13.532 -7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.354 12.920 -9.783 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.300 12.805 -8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.217 15.031 -10.340 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.605 14.327 -9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.524 16.688 -8.714 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -5.280 15.584 -7.582 1.00 0.00 H new ATOM 108 N GLU A 12 -0.978 15.600 -9.229 1.00 0.00 N ATOM 109 CA GLU A 12 0.170 15.928 -10.066 1.00 0.00 C ATOM 110 C GLU A 12 1.225 16.688 -9.269 1.00 0.00 C ATOM 111 O GLU A 12 1.661 17.768 -9.667 1.00 0.00 O ATOM 112 CB GLU A 12 -0.272 16.761 -11.272 1.00 0.00 C ATOM 113 CG GLU A 12 -1.504 16.213 -11.972 1.00 0.00 C ATOM 114 CD GLU A 12 -1.158 15.252 -13.092 1.00 0.00 C ATOM 115 OE1 GLU A 12 -0.013 15.305 -13.587 1.00 0.00 O ATOM 116 OE2 GLU A 12 -2.033 14.447 -13.475 1.00 0.00 O ATOM 0 H GLU A 12 -1.437 16.407 -8.807 1.00 0.00 H new ATOM 0 HA GLU A 12 0.609 14.995 -10.419 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.474 17.781 -10.944 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.549 16.813 -11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.135 15.704 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.087 17.041 -12.376 1.00 0.00 H new ATOM 123 N GLU A 13 1.632 16.115 -8.140 1.00 0.00 N ATOM 124 CA GLU A 13 2.635 16.739 -7.285 1.00 0.00 C ATOM 125 C GLU A 13 4.039 16.291 -7.679 1.00 0.00 C ATOM 126 O GLU A 13 5.000 17.051 -7.560 1.00 0.00 O ATOM 127 CB GLU A 13 2.371 16.397 -5.817 1.00 0.00 C ATOM 128 CG GLU A 13 2.604 14.933 -5.482 1.00 0.00 C ATOM 129 CD GLU A 13 1.378 14.076 -5.732 1.00 0.00 C ATOM 130 OE1 GLU A 13 0.265 14.515 -5.375 1.00 0.00 O ATOM 131 OE2 GLU A 13 1.533 12.966 -6.284 1.00 0.00 O ATOM 0 H GLU A 13 1.283 15.220 -7.797 1.00 0.00 H new ATOM 0 HA GLU A 13 2.566 17.819 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.015 17.012 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.342 16.658 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.435 14.555 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.897 14.846 -4.436 1.00 0.00 H new ATOM 138 N GLN A 14 4.149 15.052 -8.147 1.00 0.00 N ATOM 139 CA GLN A 14 5.436 14.502 -8.557 1.00 0.00 C ATOM 140 C GLN A 14 5.570 14.505 -10.077 1.00 0.00 C ATOM 141 O GLN A 14 6.673 14.624 -10.611 1.00 0.00 O ATOM 142 CB GLN A 14 5.600 13.079 -8.022 1.00 0.00 C ATOM 143 CG GLN A 14 6.900 12.415 -8.446 1.00 0.00 C ATOM 144 CD GLN A 14 6.860 10.906 -8.302 1.00 0.00 C ATOM 145 OE1 GLN A 14 6.210 10.374 -7.402 1.00 0.00 O ATOM 146 NE2 GLN A 14 7.555 10.208 -9.192 1.00 0.00 N ATOM 0 H GLN A 14 3.363 14.410 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 14 6.221 15.132 -8.140 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.552 13.101 -6.933 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.763 12.472 -8.366 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.113 12.671 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.719 12.812 -7.846 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.080 10.691 -9.922 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.564 9.189 -9.146 1.00 0.00 H new ATOM 155 N TRP A 15 4.443 14.373 -10.765 1.00 0.00 N ATOM 156 CA TRP A 15 4.435 14.361 -12.224 1.00 0.00 C ATOM 157 C TRP A 15 4.727 15.749 -12.782 1.00 0.00 C ATOM 158 O TRP A 15 5.213 15.886 -13.904 1.00 0.00 O ATOM 159 CB TRP A 15 3.085 13.863 -12.743 1.00 0.00 C ATOM 160 CG TRP A 15 2.817 12.425 -12.416 1.00 0.00 C ATOM 161 CD1 TRP A 15 3.739 11.423 -12.308 1.00 0.00 C ATOM 162 CD2 TRP A 15 1.541 11.829 -12.158 1.00 0.00 C ATOM 163 NE1 TRP A 15 3.113 10.240 -11.998 1.00 0.00 N ATOM 164 CE2 TRP A 15 1.765 10.462 -11.899 1.00 0.00 C ATOM 165 CE3 TRP A 15 0.232 12.316 -12.117 1.00 0.00 C ATOM 166 CZ2 TRP A 15 0.728 9.581 -11.606 1.00 0.00 C ATOM 167 CZ3 TRP A 15 -0.796 11.440 -11.826 1.00 0.00 C ATOM 168 CH2 TRP A 15 -0.544 10.085 -11.573 1.00 0.00 C ATOM 0 H TRP A 15 3.522 14.273 -10.337 1.00 0.00 H new ATOM 0 HA TRP A 15 5.219 13.683 -12.561 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.291 14.479 -12.319 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.048 13.995 -13.824 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.803 11.543 -12.446 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.577 9.342 -11.863 1.00 0.00 H new ATOM 0 HE3 TRP A 15 0.027 13.359 -12.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.920 8.536 -11.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.812 11.806 -11.793 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.369 9.426 -11.348 1.00 0.00 H new ATOM 179 N GLN A 16 4.429 16.775 -11.991 1.00 0.00 N ATOM 180 CA GLN A 16 4.660 18.153 -12.408 1.00 0.00 C ATOM 181 C GLN A 16 6.047 18.625 -11.984 1.00 0.00 C ATOM 182 O GLN A 16 6.783 19.213 -12.777 1.00 0.00 O ATOM 183 CB GLN A 16 3.592 19.074 -11.815 1.00 0.00 C ATOM 184 CG GLN A 16 2.372 19.243 -12.707 1.00 0.00 C ATOM 185 CD GLN A 16 1.655 20.558 -12.470 1.00 0.00 C ATOM 186 OE1 GLN A 16 0.888 20.697 -11.518 1.00 0.00 O ATOM 187 NE2 GLN A 16 1.902 21.532 -13.339 1.00 0.00 N ATOM 0 H GLN A 16 4.027 16.678 -11.058 1.00 0.00 H new ATOM 0 HA GLN A 16 4.600 18.191 -13.496 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.275 18.676 -10.851 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.032 20.053 -11.626 1.00 0.00 H new ATOM 0 HG2 GLN A 16 2.679 19.184 -13.751 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.680 18.419 -12.531 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.546 21.373 -14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.448 22.439 -13.231 1.00 0.00 H new ATOM 196 N ARG A 17 6.397 18.363 -10.729 1.00 0.00 N ATOM 197 CA ARG A 17 7.696 18.762 -10.199 1.00 0.00 C ATOM 198 C ARG A 17 8.805 18.482 -11.209 1.00 0.00 C ATOM 199 O ARG A 17 9.835 19.154 -11.216 1.00 0.00 O ATOM 200 CB ARG A 17 7.985 18.025 -8.890 1.00 0.00 C ATOM 201 CG ARG A 17 8.546 16.627 -9.090 1.00 0.00 C ATOM 202 CD ARG A 17 9.384 16.188 -7.899 1.00 0.00 C ATOM 203 NE ARG A 17 10.237 15.046 -8.221 1.00 0.00 N ATOM 204 CZ ARG A 17 10.760 14.239 -7.305 1.00 0.00 C ATOM 205 NH1 ARG A 17 10.520 14.447 -6.018 1.00 0.00 N ATOM 206 NH2 ARG A 17 11.526 13.222 -7.676 1.00 0.00 N ATOM 0 H ARG A 17 5.800 17.876 -10.060 1.00 0.00 H new ATOM 0 HA ARG A 17 7.667 19.834 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.692 18.610 -8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.065 17.959 -8.309 1.00 0.00 H new ATOM 0 HG2 ARG A 17 7.727 15.923 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.155 16.604 -9.993 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.003 17.020 -7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.727 15.927 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 17 10.442 14.859 -9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.932 15.229 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.923 13.825 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.714 13.059 -8.665 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.927 12.603 -6.972 1.00 0.00 H new ATOM 220 N ALA A 18 8.585 17.484 -12.059 1.00 0.00 N ATOM 221 CA ALA A 18 9.565 17.116 -13.074 1.00 0.00 C ATOM 222 C ALA A 18 9.379 17.943 -14.342 1.00 0.00 C ATOM 223 O ALA A 18 10.341 18.224 -15.057 1.00 0.00 O ATOM 224 CB ALA A 18 9.464 15.631 -13.390 1.00 0.00 C ATOM 0 H ALA A 18 7.738 16.916 -12.065 1.00 0.00 H new ATOM 0 HA ALA A 18 10.559 17.325 -12.678 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.201 15.370 -14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.654 15.053 -12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.465 15.405 -13.762 1.00 0.00 H new ATOM 230 N ILE A 19 8.137 18.328 -14.615 1.00 0.00 N ATOM 231 CA ILE A 19 7.827 19.122 -15.797 1.00 0.00 C ATOM 232 C ILE A 19 8.585 20.445 -15.785 1.00 0.00 C ATOM 233 O ILE A 19 9.073 20.903 -16.818 1.00 0.00 O ATOM 234 CB ILE A 19 6.317 19.410 -15.902 1.00 0.00 C ATOM 235 CG1 ILE A 19 5.545 18.113 -16.153 1.00 0.00 C ATOM 236 CG2 ILE A 19 6.045 20.417 -17.009 1.00 0.00 C ATOM 237 CD1 ILE A 19 4.047 18.307 -16.229 1.00 0.00 C ATOM 0 H ILE A 19 7.329 18.103 -14.034 1.00 0.00 H new ATOM 0 HA ILE A 19 8.138 18.535 -16.661 1.00 0.00 H new ATOM 0 HB ILE A 19 5.977 19.837 -14.958 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.893 17.667 -17.085 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.772 17.405 -15.356 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.974 20.610 -17.070 1.00 0.00 H new ATOM 0 HG22 ILE A 19 6.569 21.347 -16.791 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.397 20.016 -17.960 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.564 17.346 -16.409 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.686 18.724 -15.289 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.810 18.990 -17.044 1.00 0.00 H new ATOM 249 N HIS A 20 8.682 21.055 -14.607 1.00 0.00 N ATOM 250 CA HIS A 20 9.384 22.325 -14.459 1.00 0.00 C ATOM 251 C HIS A 20 10.869 22.097 -14.193 1.00 0.00 C ATOM 252 O HIS A 20 11.713 22.885 -14.619 1.00 0.00 O ATOM 253 CB HIS A 20 8.770 23.141 -13.322 1.00 0.00 C ATOM 254 CG HIS A 20 9.429 22.913 -11.997 1.00 0.00 C ATOM 255 ND1 HIS A 20 10.333 23.796 -11.444 1.00 0.00 N ATOM 256 CD2 HIS A 20 9.311 21.896 -11.112 1.00 0.00 C ATOM 257 CE1 HIS A 20 10.743 23.331 -10.278 1.00 0.00 C ATOM 258 NE2 HIS A 20 10.138 22.179 -10.053 1.00 0.00 N ATOM 0 H HIS A 20 8.283 20.690 -13.742 1.00 0.00 H new ATOM 0 HA HIS A 20 9.281 22.880 -15.391 1.00 0.00 H new ATOM 0 HB2 HIS A 20 8.832 24.200 -13.572 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.712 22.894 -13.239 1.00 0.00 H new ATOM 0 HD2 HIS A 20 8.683 21.024 -11.219 1.00 0.00 H new ATOM 0 HE1 HIS A 20 11.452 23.811 -9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 20 10.264 21.594 -9.227 1.00 0.00 H new ATOM 266 N GLU A 21 11.180 21.015 -13.486 1.00 0.00 N ATOM 267 CA GLU A 21 12.563 20.686 -13.163 1.00 0.00 C ATOM 268 C GLU A 21 13.323 20.245 -14.410 1.00 0.00 C ATOM 269 O GLU A 21 14.341 20.836 -14.770 1.00 0.00 O ATOM 270 CB GLU A 21 12.614 19.582 -12.104 1.00 0.00 C ATOM 271 CG GLU A 21 12.587 20.104 -10.678 1.00 0.00 C ATOM 272 CD GLU A 21 13.006 19.057 -9.665 1.00 0.00 C ATOM 273 OE1 GLU A 21 12.890 17.852 -9.976 1.00 0.00 O ATOM 274 OE2 GLU A 21 13.448 19.440 -8.562 1.00 0.00 O ATOM 0 H GLU A 21 10.493 20.352 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 21 13.040 21.582 -12.766 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.769 18.909 -12.252 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.519 18.993 -12.249 1.00 0.00 H new ATOM 0 HG2 GLU A 21 13.249 20.966 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.581 20.451 -10.441 1.00 0.00 H new ATOM 281 N ARG A 22 12.821 19.203 -15.065 1.00 0.00 N ATOM 282 CA ARG A 22 13.453 18.682 -16.270 1.00 0.00 C ATOM 283 C ARG A 22 12.833 19.300 -17.520 1.00 0.00 C ATOM 284 O ARG A 22 13.451 20.129 -18.187 1.00 0.00 O ATOM 285 CB ARG A 22 13.321 17.158 -16.323 1.00 0.00 C ATOM 286 CG ARG A 22 14.285 16.431 -15.400 1.00 0.00 C ATOM 287 CD ARG A 22 15.603 16.129 -16.096 1.00 0.00 C ATOM 288 NE ARG A 22 15.499 14.977 -16.988 1.00 0.00 N ATOM 289 CZ ARG A 22 16.538 14.233 -17.352 1.00 0.00 C ATOM 290 NH1 ARG A 22 17.752 14.519 -16.903 1.00 0.00 N ATOM 291 NH2 ARG A 22 16.363 13.200 -18.166 1.00 0.00 N ATOM 0 H ARG A 22 11.978 18.703 -14.781 1.00 0.00 H new ATOM 0 HA ARG A 22 14.510 18.948 -16.240 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.300 16.881 -16.060 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.488 16.823 -17.347 1.00 0.00 H new ATOM 0 HG2 ARG A 22 14.471 17.039 -14.515 1.00 0.00 H new ATOM 0 HG3 ARG A 22 13.831 15.501 -15.058 1.00 0.00 H new ATOM 0 HD2 ARG A 22 15.920 17.002 -16.667 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.373 15.940 -15.348 1.00 0.00 H new ATOM 0 HE ARG A 22 14.578 14.730 -17.351 1.00 0.00 H new ATOM 0 HH11 ARG A 22 17.890 15.312 -16.276 1.00 0.00 H new ATOM 0 HH12 ARG A 22 18.548 13.946 -17.184 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.430 12.976 -18.513 1.00 0.00 H new ATOM 0 HH22 ARG A 22 17.161 12.629 -18.445 1.00 0.00 H new ATOM 305 N GLY A 23 11.608 18.889 -17.832 1.00 0.00 N ATOM 306 CA GLY A 23 10.925 19.412 -19.001 1.00 0.00 C ATOM 307 C GLY A 23 9.459 19.030 -19.035 1.00 0.00 C ATOM 308 O GLY A 23 8.585 19.897 -19.020 1.00 0.00 O ATOM 0 H GLY A 23 11.076 18.203 -17.296 1.00 0.00 H new ATOM 0 HA2 GLY A 23 11.015 20.498 -19.015 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.415 19.040 -19.901 1.00 0.00 H new ATOM 312 N GLU A 24 9.188 17.729 -19.084 1.00 0.00 N ATOM 313 CA GLU A 24 7.817 17.236 -19.123 1.00 0.00 C ATOM 314 C GLU A 24 7.718 15.852 -18.488 1.00 0.00 C ATOM 315 O GLU A 24 8.727 15.175 -18.290 1.00 0.00 O ATOM 316 CB GLU A 24 7.312 17.183 -20.567 1.00 0.00 C ATOM 317 CG GLU A 24 8.210 16.387 -21.498 1.00 0.00 C ATOM 318 CD GLU A 24 7.858 16.585 -22.959 1.00 0.00 C ATOM 319 OE1 GLU A 24 7.660 17.748 -23.369 1.00 0.00 O ATOM 320 OE2 GLU A 24 7.780 15.578 -23.693 1.00 0.00 O ATOM 0 H GLU A 24 9.900 16.998 -19.098 1.00 0.00 H new ATOM 0 HA GLU A 24 7.194 17.924 -18.552 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.314 16.746 -20.578 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.219 18.200 -20.948 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.247 16.680 -21.335 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.136 15.328 -21.251 1.00 0.00 H new ATOM 327 N ALA A 25 6.496 15.439 -18.169 1.00 0.00 N ATOM 328 CA ALA A 25 6.264 14.137 -17.558 1.00 0.00 C ATOM 329 C ALA A 25 5.295 13.304 -18.389 1.00 0.00 C ATOM 330 O ALA A 25 4.081 13.369 -18.196 1.00 0.00 O ATOM 331 CB ALA A 25 5.737 14.305 -16.140 1.00 0.00 C ATOM 0 H ALA A 25 5.651 15.988 -18.324 1.00 0.00 H new ATOM 0 HA ALA A 25 7.216 13.607 -17.520 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.568 13.324 -15.696 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.466 14.853 -15.543 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.798 14.859 -16.164 1.00 0.00 H new ATOM 337 N VAL A 26 5.838 12.522 -19.316 1.00 0.00 N ATOM 338 CA VAL A 26 5.021 11.676 -20.178 1.00 0.00 C ATOM 339 C VAL A 26 4.636 10.381 -19.471 1.00 0.00 C ATOM 340 O VAL A 26 5.301 9.955 -18.526 1.00 0.00 O ATOM 341 CB VAL A 26 5.754 11.334 -21.488 1.00 0.00 C ATOM 342 CG1 VAL A 26 6.072 12.601 -22.268 1.00 0.00 C ATOM 343 CG2 VAL A 26 7.022 10.544 -21.199 1.00 0.00 C ATOM 0 H VAL A 26 6.841 12.457 -19.490 1.00 0.00 H new ATOM 0 HA VAL A 26 4.119 12.241 -20.413 1.00 0.00 H new ATOM 0 HB VAL A 26 5.099 10.714 -22.099 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.590 12.340 -23.191 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.146 13.123 -22.507 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.709 13.249 -21.666 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.527 10.311 -22.136 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.684 11.137 -20.568 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.764 9.618 -20.686 1.00 0.00 H new ATOM 353 N CYS A 27 3.558 9.757 -19.936 1.00 0.00 N ATOM 354 CA CYS A 27 3.084 8.510 -19.349 1.00 0.00 C ATOM 355 C CYS A 27 4.253 7.598 -18.989 1.00 0.00 C ATOM 356 O CYS A 27 5.007 7.144 -19.850 1.00 0.00 O ATOM 357 CB CYS A 27 2.143 7.792 -20.319 1.00 0.00 C ATOM 358 SG CYS A 27 1.047 6.573 -19.525 1.00 0.00 S ATOM 0 H CYS A 27 2.997 10.095 -20.718 1.00 0.00 H new ATOM 0 HA CYS A 27 2.540 8.751 -18.436 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.532 8.534 -20.832 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.738 7.288 -21.080 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.176 7.012 -19.544 1.00 0.00 H new ATOM 363 N PRO A 28 4.410 7.324 -17.685 1.00 0.00 N ATOM 364 CA PRO A 28 5.485 6.464 -17.181 1.00 0.00 C ATOM 365 C PRO A 28 5.286 5.002 -17.565 1.00 0.00 C ATOM 366 O PRO A 28 6.024 4.125 -17.115 1.00 0.00 O ATOM 367 CB PRO A 28 5.393 6.635 -15.663 1.00 0.00 C ATOM 368 CG PRO A 28 3.976 7.023 -15.410 1.00 0.00 C ATOM 369 CD PRO A 28 3.549 7.831 -16.604 1.00 0.00 C ATOM 0 HA PRO A 28 6.455 6.737 -17.597 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.649 5.711 -15.144 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.083 7.401 -15.308 1.00 0.00 H new ATOM 0 HG2 PRO A 28 3.346 6.142 -15.289 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.889 7.606 -14.493 1.00 0.00 H new ATOM 0 HD2 PRO A 28 2.493 7.686 -16.830 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.696 8.899 -16.440 1.00 0.00 H new ATOM 377 N THR A 29 4.285 4.745 -18.401 1.00 0.00 N ATOM 378 CA THR A 29 3.989 3.389 -18.846 1.00 0.00 C ATOM 379 C THR A 29 4.397 3.186 -20.300 1.00 0.00 C ATOM 380 O THR A 29 5.081 2.218 -20.635 1.00 0.00 O ATOM 381 CB THR A 29 2.491 3.063 -18.694 1.00 0.00 C ATOM 382 OG1 THR A 29 2.099 3.189 -17.323 1.00 0.00 O ATOM 383 CG2 THR A 29 2.192 1.654 -19.185 1.00 0.00 C ATOM 0 H THR A 29 3.665 5.459 -18.784 1.00 0.00 H new ATOM 0 HA THR A 29 4.566 2.715 -18.213 1.00 0.00 H new ATOM 0 HB THR A 29 1.924 3.770 -19.300 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.145 2.982 -17.235 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.128 1.446 -19.068 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.465 1.570 -20.237 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.768 0.936 -18.602 1.00 0.00 H new ATOM 391 N CYS A 30 3.974 4.105 -21.163 1.00 0.00 N ATOM 392 CA CYS A 30 4.295 4.027 -22.582 1.00 0.00 C ATOM 393 C CYS A 30 4.947 5.320 -23.064 1.00 0.00 C ATOM 394 O CYS A 30 5.562 5.358 -24.128 1.00 0.00 O ATOM 395 CB CYS A 30 3.032 3.745 -23.398 1.00 0.00 C ATOM 396 SG CYS A 30 1.558 4.646 -22.821 1.00 0.00 S ATOM 0 H CYS A 30 3.408 4.913 -20.903 1.00 0.00 H new ATOM 0 HA CYS A 30 5.001 3.209 -22.724 1.00 0.00 H new ATOM 0 HB2 CYS A 30 3.219 4.006 -24.440 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.825 2.675 -23.369 1.00 0.00 H new ATOM 0 HG CYS A 30 0.974 3.965 -21.880 1.00 0.00 H new ATOM 401 N ASN A 31 4.806 6.378 -22.272 1.00 0.00 N ATOM 402 CA ASN A 31 5.380 7.673 -22.617 1.00 0.00 C ATOM 403 C ASN A 31 4.772 8.211 -23.909 1.00 0.00 C ATOM 404 O ASN A 31 5.481 8.723 -24.776 1.00 0.00 O ATOM 405 CB ASN A 31 6.899 7.558 -22.764 1.00 0.00 C ATOM 406 CG ASN A 31 7.603 7.456 -21.425 1.00 0.00 C ATOM 407 OD1 ASN A 31 8.480 8.260 -21.109 1.00 0.00 O ATOM 408 ND2 ASN A 31 7.221 6.463 -20.631 1.00 0.00 N ATOM 0 H ASN A 31 4.299 6.364 -21.387 1.00 0.00 H new ATOM 0 HA ASN A 31 5.151 8.370 -21.811 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.138 6.680 -23.365 1.00 0.00 H new ATOM 0 HB3 ASN A 31 7.276 8.426 -23.304 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.659 6.343 -19.718 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.490 5.820 -20.934 1.00 0.00 H new ATOM 415 N VAL A 32 3.454 8.091 -24.031 1.00 0.00 N ATOM 416 CA VAL A 32 2.749 8.567 -25.216 1.00 0.00 C ATOM 417 C VAL A 32 1.490 9.337 -24.834 1.00 0.00 C ATOM 418 O VAL A 32 0.410 8.761 -24.713 1.00 0.00 O ATOM 419 CB VAL A 32 2.363 7.400 -26.144 1.00 0.00 C ATOM 420 CG1 VAL A 32 3.606 6.755 -26.737 1.00 0.00 C ATOM 421 CG2 VAL A 32 1.527 6.376 -25.392 1.00 0.00 C ATOM 0 H VAL A 32 2.853 7.668 -23.324 1.00 0.00 H new ATOM 0 HA VAL A 32 3.431 9.233 -25.745 1.00 0.00 H new ATOM 0 HB VAL A 32 1.762 7.794 -26.964 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.313 5.933 -27.390 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.161 7.496 -27.313 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.236 6.374 -25.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.263 5.558 -26.063 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.100 5.985 -24.551 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.618 6.850 -25.022 1.00 0.00 H new ATOM 431 N VAL A 33 1.638 10.645 -24.647 1.00 0.00 N ATOM 432 CA VAL A 33 0.512 11.497 -24.281 1.00 0.00 C ATOM 433 C VAL A 33 0.736 12.932 -24.743 1.00 0.00 C ATOM 434 O VAL A 33 1.719 13.232 -25.422 1.00 0.00 O ATOM 435 CB VAL A 33 0.275 11.490 -22.759 1.00 0.00 C ATOM 436 CG1 VAL A 33 -0.706 10.392 -22.376 1.00 0.00 C ATOM 437 CG2 VAL A 33 1.592 11.323 -22.016 1.00 0.00 C ATOM 0 H VAL A 33 2.526 11.138 -24.743 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.368 11.091 -24.780 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.159 12.448 -22.472 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.861 10.403 -21.297 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.657 10.561 -22.881 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.304 9.424 -22.675 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.406 11.320 -20.942 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.057 10.381 -22.306 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.258 12.148 -22.267 1.00 0.00 H new ATOM 447 N THR A 34 -0.183 13.818 -24.371 1.00 0.00 N ATOM 448 CA THR A 34 -0.088 15.222 -24.748 1.00 0.00 C ATOM 449 C THR A 34 1.179 15.857 -24.186 1.00 0.00 C ATOM 450 O THR A 34 1.681 15.444 -23.140 1.00 0.00 O ATOM 451 CB THR A 34 -1.310 16.020 -24.256 1.00 0.00 C ATOM 452 OG1 THR A 34 -2.517 15.385 -24.691 1.00 0.00 O ATOM 453 CG2 THR A 34 -1.267 17.450 -24.774 1.00 0.00 C ATOM 0 H THR A 34 -1.002 13.587 -23.809 1.00 0.00 H new ATOM 0 HA THR A 34 -0.056 15.255 -25.837 1.00 0.00 H new ATOM 0 HB THR A 34 -1.286 16.045 -23.167 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.289 15.897 -24.373 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.140 17.994 -24.414 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.361 17.940 -24.416 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.269 17.442 -25.864 1.00 0.00 H new ATOM 461 N ARG A 35 1.692 16.864 -24.886 1.00 0.00 N ATOM 462 CA ARG A 35 2.901 17.555 -24.456 1.00 0.00 C ATOM 463 C ARG A 35 2.796 17.976 -22.993 1.00 0.00 C ATOM 464 O ARG A 35 3.734 17.797 -22.215 1.00 0.00 O ATOM 465 CB ARG A 35 3.152 18.783 -25.334 1.00 0.00 C ATOM 466 CG ARG A 35 3.506 18.441 -26.772 1.00 0.00 C ATOM 467 CD ARG A 35 5.006 18.269 -26.951 1.00 0.00 C ATOM 468 NE ARG A 35 5.331 17.525 -28.165 1.00 0.00 N ATOM 469 CZ ARG A 35 5.219 18.029 -29.389 1.00 0.00 C ATOM 470 NH1 ARG A 35 4.792 19.273 -29.560 1.00 0.00 N ATOM 471 NH2 ARG A 35 5.534 17.289 -30.444 1.00 0.00 N ATOM 0 H ARG A 35 1.289 17.219 -25.753 1.00 0.00 H new ATOM 0 HA ARG A 35 3.739 16.866 -24.559 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.262 19.412 -25.328 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.961 19.371 -24.900 1.00 0.00 H new ATOM 0 HG2 ARG A 35 2.996 17.523 -27.065 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.148 19.230 -27.433 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.481 19.249 -26.989 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.417 17.748 -26.086 1.00 0.00 H new ATOM 0 HE ARG A 35 5.662 16.565 -28.068 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.549 19.845 -28.751 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.707 19.658 -30.501 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.863 16.332 -30.316 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.448 17.677 -31.383 1.00 0.00 H new ATOM 485 N LYS A 36 1.649 18.537 -22.625 1.00 0.00 N ATOM 486 CA LYS A 36 1.420 18.984 -21.256 1.00 0.00 C ATOM 487 C LYS A 36 1.433 17.803 -20.290 1.00 0.00 C ATOM 488 O LYS A 36 1.953 17.903 -19.178 1.00 0.00 O ATOM 489 CB LYS A 36 0.084 19.723 -21.156 1.00 0.00 C ATOM 490 CG LYS A 36 0.188 21.209 -21.455 1.00 0.00 C ATOM 491 CD LYS A 36 0.498 21.462 -22.921 1.00 0.00 C ATOM 492 CE LYS A 36 1.209 22.792 -23.118 1.00 0.00 C ATOM 493 NZ LYS A 36 0.247 23.909 -23.334 1.00 0.00 N ATOM 0 H LYS A 36 0.863 18.693 -23.256 1.00 0.00 H new ATOM 0 HA LYS A 36 2.226 19.665 -20.982 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.625 19.270 -21.849 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.321 19.590 -20.153 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.748 21.701 -21.190 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.968 21.652 -20.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.120 20.655 -23.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -0.428 21.454 -23.497 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.825 23.007 -22.245 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.881 22.721 -23.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.771 24.798 -23.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -0.324 23.716 -24.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.378 23.993 -22.507 1.00 0.00 H new ATOM 507 N THR A 37 0.860 16.684 -20.721 1.00 0.00 N ATOM 508 CA THR A 37 0.806 15.485 -19.895 1.00 0.00 C ATOM 509 C THR A 37 -0.009 15.726 -18.629 1.00 0.00 C ATOM 510 O THR A 37 0.308 15.195 -17.564 1.00 0.00 O ATOM 511 CB THR A 37 2.217 15.011 -19.501 1.00 0.00 C ATOM 512 OG1 THR A 37 2.664 15.715 -18.337 1.00 0.00 O ATOM 513 CG2 THR A 37 3.200 15.231 -20.641 1.00 0.00 C ATOM 0 H THR A 37 0.426 16.583 -21.639 1.00 0.00 H new ATOM 0 HA THR A 37 0.324 14.711 -20.492 1.00 0.00 H new ATOM 0 HB THR A 37 2.170 13.944 -19.284 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.596 16.680 -18.492 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.190 14.889 -20.339 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.873 14.670 -21.517 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.242 16.292 -20.885 1.00 0.00 H new ATOM 521 N LEU A 38 -1.060 16.529 -18.751 1.00 0.00 N ATOM 522 CA LEU A 38 -1.922 16.840 -17.616 1.00 0.00 C ATOM 523 C LEU A 38 -3.386 16.587 -17.959 1.00 0.00 C ATOM 524 O LEU A 38 -4.086 15.866 -17.248 1.00 0.00 O ATOM 525 CB LEU A 38 -1.730 18.296 -17.189 1.00 0.00 C ATOM 526 CG LEU A 38 -0.747 18.535 -16.042 1.00 0.00 C ATOM 527 CD1 LEU A 38 -1.216 17.825 -14.781 1.00 0.00 C ATOM 528 CD2 LEU A 38 0.649 18.070 -16.430 1.00 0.00 C ATOM 0 H LEU A 38 -1.336 16.977 -19.625 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.644 16.186 -16.790 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.393 18.866 -18.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.700 18.700 -16.900 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.708 19.605 -15.839 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.504 18.006 -13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.196 18.206 -14.492 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.284 16.754 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.335 18.248 -15.602 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.627 17.005 -16.660 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.987 18.624 -17.306 1.00 0.00 H new ATOM 540 N VAL A 39 -3.844 17.184 -19.055 1.00 0.00 N ATOM 541 CA VAL A 39 -5.224 17.022 -19.495 1.00 0.00 C ATOM 542 C VAL A 39 -5.397 15.739 -20.301 1.00 0.00 C ATOM 543 O VAL A 39 -6.480 15.158 -20.338 1.00 0.00 O ATOM 544 CB VAL A 39 -5.686 18.217 -20.350 1.00 0.00 C ATOM 545 CG1 VAL A 39 -5.533 19.517 -19.575 1.00 0.00 C ATOM 546 CG2 VAL A 39 -4.907 18.270 -21.655 1.00 0.00 C ATOM 0 H VAL A 39 -3.278 17.785 -19.655 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.838 16.969 -18.596 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.741 18.086 -20.589 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.864 20.351 -20.194 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.139 19.474 -18.670 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.487 19.659 -19.305 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.246 19.120 -22.247 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.844 18.378 -21.440 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.072 17.349 -22.215 1.00 0.00 H new ATOM 556 N GLY A 40 -4.319 15.301 -20.945 1.00 0.00 N ATOM 557 CA GLY A 40 -4.372 14.089 -21.741 1.00 0.00 C ATOM 558 C GLY A 40 -3.770 12.897 -21.024 1.00 0.00 C ATOM 559 O GLY A 40 -4.158 11.754 -21.270 1.00 0.00 O ATOM 0 H GLY A 40 -3.410 15.764 -20.929 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.409 13.870 -21.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.841 14.251 -22.679 1.00 0.00 H new ATOM 563 N LEU A 41 -2.819 13.162 -20.135 1.00 0.00 N ATOM 564 CA LEU A 41 -2.161 12.102 -19.380 1.00 0.00 C ATOM 565 C LEU A 41 -3.139 11.426 -18.424 1.00 0.00 C ATOM 566 O LEU A 41 -3.161 10.200 -18.304 1.00 0.00 O ATOM 567 CB LEU A 41 -0.974 12.667 -18.597 1.00 0.00 C ATOM 568 CG LEU A 41 -0.223 11.676 -17.708 1.00 0.00 C ATOM 569 CD1 LEU A 41 0.554 10.681 -18.556 1.00 0.00 C ATOM 570 CD2 LEU A 41 0.709 12.412 -16.757 1.00 0.00 C ATOM 0 H LEU A 41 -2.487 14.102 -19.920 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.800 11.357 -20.088 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.267 13.095 -19.307 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.333 13.485 -17.972 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.952 11.125 -17.115 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.082 9.983 -17.906 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.136 10.130 -19.195 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.274 11.215 -19.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.235 11.690 -16.132 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.433 12.990 -17.332 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.128 13.084 -16.125 1.00 0.00 H new ATOM 582 N LYS A 42 -3.950 12.232 -17.747 1.00 0.00 N ATOM 583 CA LYS A 42 -4.934 11.713 -16.805 1.00 0.00 C ATOM 584 C LYS A 42 -6.029 10.939 -17.532 1.00 0.00 C ATOM 585 O LYS A 42 -6.413 9.847 -17.115 1.00 0.00 O ATOM 586 CB LYS A 42 -5.553 12.858 -16.000 1.00 0.00 C ATOM 587 CG LYS A 42 -4.579 13.526 -15.044 1.00 0.00 C ATOM 588 CD LYS A 42 -5.085 14.885 -14.591 1.00 0.00 C ATOM 589 CE LYS A 42 -6.043 14.760 -13.416 1.00 0.00 C ATOM 590 NZ LYS A 42 -5.351 14.287 -12.185 1.00 0.00 N ATOM 0 H LYS A 42 -3.945 13.248 -17.834 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.424 11.032 -16.124 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.943 13.606 -16.690 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.401 12.475 -15.432 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.424 12.886 -14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.611 13.641 -15.531 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.240 15.513 -14.308 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.588 15.382 -15.420 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.509 15.726 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.844 14.066 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.820 14.688 -11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.392 13.249 -12.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.358 14.594 -12.206 1.00 0.00 H new ATOM 604 N LYS A 43 -6.526 11.512 -18.623 1.00 0.00 N ATOM 605 CA LYS A 43 -7.575 10.875 -19.411 1.00 0.00 C ATOM 606 C LYS A 43 -7.042 9.639 -20.128 1.00 0.00 C ATOM 607 O LYS A 43 -7.757 8.650 -20.296 1.00 0.00 O ATOM 608 CB LYS A 43 -8.146 11.863 -20.431 1.00 0.00 C ATOM 609 CG LYS A 43 -8.804 13.077 -19.799 1.00 0.00 C ATOM 610 CD LYS A 43 -9.182 14.113 -20.844 1.00 0.00 C ATOM 611 CE LYS A 43 -9.466 15.467 -20.210 1.00 0.00 C ATOM 612 NZ LYS A 43 -9.870 16.480 -21.224 1.00 0.00 N ATOM 0 H LYS A 43 -6.219 12.416 -18.982 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.368 10.565 -18.731 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.344 12.196 -21.090 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.877 11.347 -21.054 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.695 12.766 -19.254 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.125 13.523 -19.072 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.374 14.212 -21.569 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.062 13.775 -21.392 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.257 15.362 -19.467 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.578 15.815 -19.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.055 17.388 -20.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.106 16.600 -21.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.732 16.160 -21.710 1.00 0.00 H new ATOM 626 N HIS A 44 -5.783 9.701 -20.549 1.00 0.00 N ATOM 627 CA HIS A 44 -5.154 8.585 -21.246 1.00 0.00 C ATOM 628 C HIS A 44 -4.877 7.431 -20.287 1.00 0.00 C ATOM 629 O HIS A 44 -5.342 6.312 -20.497 1.00 0.00 O ATOM 630 CB HIS A 44 -3.852 9.038 -21.908 1.00 0.00 C ATOM 631 CG HIS A 44 -2.916 7.911 -22.220 1.00 0.00 C ATOM 632 ND1 HIS A 44 -2.161 7.136 -21.407 1.00 0.00 N flip ATOM 633 CD2 HIS A 44 -2.671 7.470 -23.504 1.00 0.00 C flip ATOM 634 CE1 HIS A 44 -1.482 6.249 -22.206 1.00 0.00 C flip ATOM 635 NE2 HIS A 44 -1.807 6.471 -23.466 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.178 10.512 -20.420 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.842 8.236 -22.016 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -4.088 9.569 -22.830 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.348 9.747 -21.252 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.116 7.877 -24.400 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -0.794 5.492 -21.860 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.452 5.958 -24.273 1.00 0.00 H new ATOM 643 N MET A 45 -4.116 7.713 -19.234 1.00 0.00 N ATOM 644 CA MET A 45 -3.777 6.699 -18.243 1.00 0.00 C ATOM 645 C MET A 45 -5.004 5.874 -17.868 1.00 0.00 C ATOM 646 O MET A 45 -4.884 4.730 -17.433 1.00 0.00 O ATOM 647 CB MET A 45 -3.187 7.354 -16.992 1.00 0.00 C ATOM 648 CG MET A 45 -4.197 8.167 -16.198 1.00 0.00 C ATOM 649 SD MET A 45 -3.653 8.492 -14.510 1.00 0.00 S ATOM 650 CE MET A 45 -2.164 9.441 -14.811 1.00 0.00 C ATOM 0 H MET A 45 -3.723 8.635 -19.046 1.00 0.00 H new ATOM 0 HA MET A 45 -3.033 6.034 -18.681 1.00 0.00 H new ATOM 0 HB2 MET A 45 -2.770 6.579 -16.349 1.00 0.00 H new ATOM 0 HB3 MET A 45 -2.362 8.002 -17.286 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.376 9.114 -16.707 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.148 7.634 -16.173 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.144 10.306 -14.149 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.290 8.818 -14.620 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.150 9.777 -15.848 1.00 0.00 H new ATOM 660 N GLU A 46 -6.183 6.464 -18.039 1.00 0.00 N ATOM 661 CA GLU A 46 -7.432 5.783 -17.717 1.00 0.00 C ATOM 662 C GLU A 46 -7.461 4.385 -18.328 1.00 0.00 C ATOM 663 O GLU A 46 -7.644 3.391 -17.624 1.00 0.00 O ATOM 664 CB GLU A 46 -8.627 6.596 -18.219 1.00 0.00 C ATOM 665 CG GLU A 46 -8.697 7.998 -17.637 1.00 0.00 C ATOM 666 CD GLU A 46 -8.528 8.013 -16.130 1.00 0.00 C ATOM 667 OE1 GLU A 46 -8.839 6.988 -15.488 1.00 0.00 O ATOM 668 OE2 GLU A 46 -8.084 9.050 -15.594 1.00 0.00 O ATOM 0 H GLU A 46 -6.299 7.411 -18.398 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.496 5.689 -16.633 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.578 6.665 -19.306 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.546 6.064 -17.974 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.922 8.615 -18.092 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.656 8.447 -17.896 1.00 0.00 H new ATOM 675 N VAL A 47 -7.281 4.315 -19.643 1.00 0.00 N ATOM 676 CA VAL A 47 -7.287 3.040 -20.349 1.00 0.00 C ATOM 677 C VAL A 47 -5.899 2.408 -20.353 1.00 0.00 C ATOM 678 O VAL A 47 -5.762 1.185 -20.318 1.00 0.00 O ATOM 679 CB VAL A 47 -7.767 3.206 -21.803 1.00 0.00 C ATOM 680 CG1 VAL A 47 -9.163 3.809 -21.839 1.00 0.00 C ATOM 681 CG2 VAL A 47 -6.788 4.061 -22.594 1.00 0.00 C ATOM 0 H VAL A 47 -7.129 5.127 -20.241 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.979 2.387 -19.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.810 2.221 -22.267 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.485 3.919 -22.874 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.856 3.154 -21.311 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.149 4.787 -21.358 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.144 4.167 -23.619 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.710 5.046 -22.133 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.808 3.583 -22.598 1.00 0.00 H new ATOM 691 N CYS A 48 -4.872 3.249 -20.396 1.00 0.00 N ATOM 692 CA CYS A 48 -3.494 2.774 -20.404 1.00 0.00 C ATOM 693 C CYS A 48 -3.334 1.553 -19.503 1.00 0.00 C ATOM 694 O CYS A 48 -2.879 0.499 -19.945 1.00 0.00 O ATOM 695 CB CYS A 48 -2.546 3.886 -19.948 1.00 0.00 C ATOM 696 SG CYS A 48 -0.780 3.473 -20.115 1.00 0.00 S ATOM 0 H CYS A 48 -4.968 4.264 -20.426 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.241 2.486 -21.425 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.754 4.786 -20.527 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.756 4.122 -18.905 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.064 4.540 -19.918 1.00 0.00 H new ATOM 701 N GLN A 49 -3.711 1.705 -18.237 1.00 0.00 N ATOM 702 CA GLN A 49 -3.609 0.615 -17.274 1.00 0.00 C ATOM 703 C GLN A 49 -4.182 -0.675 -17.850 1.00 0.00 C ATOM 704 O GLN A 49 -3.646 -1.761 -17.623 1.00 0.00 O ATOM 705 CB GLN A 49 -4.340 0.980 -15.981 1.00 0.00 C ATOM 706 CG GLN A 49 -5.766 1.456 -16.201 1.00 0.00 C ATOM 707 CD GLN A 49 -6.559 1.541 -14.912 1.00 0.00 C ATOM 708 OE1 GLN A 49 -6.241 2.334 -14.026 1.00 0.00 O ATOM 709 NE2 GLN A 49 -7.598 0.722 -14.800 1.00 0.00 N ATOM 0 H GLN A 49 -4.089 2.572 -17.855 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.554 0.455 -17.054 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.354 0.111 -15.324 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.781 1.761 -15.466 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.748 2.436 -16.677 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -6.270 0.777 -16.889 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.826 0.080 -15.559 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.168 0.734 -13.954 1.00 0.00 H new ATOM 718 N LYS A 50 -5.274 -0.551 -18.596 1.00 0.00 N ATOM 719 CA LYS A 50 -5.921 -1.706 -19.206 1.00 0.00 C ATOM 720 C LYS A 50 -5.088 -2.248 -20.363 1.00 0.00 C ATOM 721 O LYS A 50 -4.823 -3.449 -20.442 1.00 0.00 O ATOM 722 CB LYS A 50 -7.320 -1.332 -19.701 1.00 0.00 C ATOM 723 CG LYS A 50 -8.300 -1.024 -18.582 1.00 0.00 C ATOM 724 CD LYS A 50 -9.418 -0.112 -19.056 1.00 0.00 C ATOM 725 CE LYS A 50 -10.451 -0.873 -19.873 1.00 0.00 C ATOM 726 NZ LYS A 50 -10.017 -1.055 -21.285 1.00 0.00 N ATOM 0 H LYS A 50 -5.730 0.340 -18.793 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.008 -2.484 -18.448 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.244 -0.464 -20.355 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.714 -2.151 -20.302 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.724 -1.954 -18.202 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.771 -0.553 -17.753 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.902 0.350 -18.195 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.000 0.695 -19.657 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.627 -1.848 -19.419 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.399 -0.336 -19.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.840 -0.972 -21.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.318 -0.325 -21.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.588 -1.996 -21.398 1.00 0.00 H new ATOM 740 N LEU A 51 -4.677 -1.357 -21.258 1.00 0.00 N ATOM 741 CA LEU A 51 -3.872 -1.746 -22.411 1.00 0.00 C ATOM 742 C LEU A 51 -2.598 -2.460 -21.970 1.00 0.00 C ATOM 743 O LEU A 51 -2.279 -3.540 -22.465 1.00 0.00 O ATOM 744 CB LEU A 51 -3.517 -0.515 -23.248 1.00 0.00 C ATOM 745 CG LEU A 51 -4.680 0.158 -23.977 1.00 0.00 C ATOM 746 CD1 LEU A 51 -4.294 1.564 -24.412 1.00 0.00 C ATOM 747 CD2 LEU A 51 -5.110 -0.674 -25.177 1.00 0.00 C ATOM 0 H LEU A 51 -4.888 -0.360 -21.208 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.460 -2.434 -23.018 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.049 0.221 -22.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.770 -0.806 -23.987 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.523 0.230 -23.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.134 2.028 -24.929 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.035 2.158 -23.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.437 1.515 -25.083 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.939 -0.180 -25.684 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.272 -0.778 -25.867 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.427 -1.661 -24.841 1.00 0.00 H new ATOM 759 N GLN A 52 -1.878 -1.850 -21.034 1.00 0.00 N ATOM 760 CA GLN A 52 -0.640 -2.429 -20.526 1.00 0.00 C ATOM 761 C GLN A 52 -0.727 -3.951 -20.486 1.00 0.00 C ATOM 762 O GLN A 52 0.215 -4.646 -20.866 1.00 0.00 O ATOM 763 CB GLN A 52 -0.335 -1.887 -19.128 1.00 0.00 C ATOM 764 CG GLN A 52 0.873 -2.537 -18.473 1.00 0.00 C ATOM 765 CD GLN A 52 0.562 -3.909 -17.908 1.00 0.00 C ATOM 766 OE1 GLN A 52 0.959 -4.930 -18.470 1.00 0.00 O ATOM 767 NE2 GLN A 52 -0.153 -3.940 -16.789 1.00 0.00 N ATOM 0 H GLN A 52 -2.130 -0.956 -20.613 1.00 0.00 H new ATOM 0 HA GLN A 52 0.167 -2.147 -21.202 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.168 -0.812 -19.193 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.207 -2.036 -18.491 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.676 -2.623 -19.205 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.238 -1.893 -17.673 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.462 -3.069 -16.357 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.393 -4.835 -16.362 1.00 0.00 H new ATOM 776 N ASP A 53 -1.863 -4.461 -20.024 1.00 0.00 N ATOM 777 CA ASP A 53 -2.073 -5.902 -19.935 1.00 0.00 C ATOM 778 C ASP A 53 -2.257 -6.511 -21.321 1.00 0.00 C ATOM 779 O ASP A 53 -1.610 -7.499 -21.666 1.00 0.00 O ATOM 780 CB ASP A 53 -3.293 -6.208 -19.064 1.00 0.00 C ATOM 781 CG ASP A 53 -3.923 -7.545 -19.400 1.00 0.00 C ATOM 782 OD1 ASP A 53 -4.739 -7.597 -20.343 1.00 0.00 O ATOM 783 OD2 ASP A 53 -3.600 -8.541 -18.718 1.00 0.00 O ATOM 0 H ASP A 53 -2.652 -3.899 -19.705 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.189 -6.346 -19.477 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.997 -6.202 -18.015 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.034 -5.418 -19.191 1.00 0.00 H new ATOM 788 N ALA A 54 -3.143 -5.914 -22.112 1.00 0.00 N ATOM 789 CA ALA A 54 -3.411 -6.397 -23.460 1.00 0.00 C ATOM 790 C ALA A 54 -2.147 -6.372 -24.313 1.00 0.00 C ATOM 791 O ALA A 54 -1.710 -7.405 -24.825 1.00 0.00 O ATOM 792 CB ALA A 54 -4.506 -5.565 -24.111 1.00 0.00 C ATOM 0 H ALA A 54 -3.687 -5.095 -21.842 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.750 -7.431 -23.389 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.696 -5.937 -25.118 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.419 -5.638 -23.519 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.189 -4.523 -24.163 1.00 0.00 H new ATOM 798 N LEU A 55 -1.564 -5.188 -24.464 1.00 0.00 N ATOM 799 CA LEU A 55 -0.349 -5.029 -25.256 1.00 0.00 C ATOM 800 C LEU A 55 0.728 -6.011 -24.805 1.00 0.00 C ATOM 801 O LEU A 55 1.473 -6.551 -25.623 1.00 0.00 O ATOM 802 CB LEU A 55 0.172 -3.595 -25.144 1.00 0.00 C ATOM 803 CG LEU A 55 -0.641 -2.526 -25.874 1.00 0.00 C ATOM 804 CD1 LEU A 55 -0.236 -1.136 -25.408 1.00 0.00 C ATOM 805 CD2 LEU A 55 -0.465 -2.659 -27.380 1.00 0.00 C ATOM 0 H LEU A 55 -1.913 -4.324 -24.049 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.593 -5.240 -26.297 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.220 -3.329 -24.088 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.193 -3.570 -25.525 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.695 -2.673 -25.637 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.825 -0.388 -25.939 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.414 -1.045 -24.337 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.822 -0.977 -25.614 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.051 -1.890 -27.884 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.588 -2.539 -27.635 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.806 -3.643 -27.701 1.00 0.00 H new ATOM 817 N LYS A 56 0.803 -6.239 -23.499 1.00 0.00 N ATOM 818 CA LYS A 56 1.786 -7.158 -22.938 1.00 0.00 C ATOM 819 C LYS A 56 1.715 -8.518 -23.626 1.00 0.00 C ATOM 820 O LYS A 56 0.630 -9.062 -23.838 1.00 0.00 O ATOM 821 CB LYS A 56 1.560 -7.324 -21.433 1.00 0.00 C ATOM 822 CG LYS A 56 2.552 -8.262 -20.768 1.00 0.00 C ATOM 823 CD LYS A 56 2.352 -8.309 -19.262 1.00 0.00 C ATOM 824 CE LYS A 56 1.104 -9.094 -18.890 1.00 0.00 C ATOM 825 NZ LYS A 56 0.935 -9.199 -17.414 1.00 0.00 N ATOM 0 H LYS A 56 0.194 -5.800 -22.808 1.00 0.00 H new ATOM 0 HA LYS A 56 2.777 -6.736 -23.106 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.621 -6.346 -20.955 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.550 -7.698 -21.265 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.440 -9.264 -21.182 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.568 -7.936 -20.991 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.223 -8.765 -18.792 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.274 -7.294 -18.872 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.228 -8.610 -19.322 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.162 -10.093 -19.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.073 -9.741 -17.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.759 -9.683 -17.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.855 -8.246 -17.005 1.00 0.00 H new ATOM 839 N CYS A 57 2.876 -9.062 -23.972 1.00 0.00 N ATOM 840 CA CYS A 57 2.946 -10.359 -24.635 1.00 0.00 C ATOM 841 C CYS A 57 2.892 -11.494 -23.617 1.00 0.00 C ATOM 842 O CYS A 57 2.759 -11.258 -22.417 1.00 0.00 O ATOM 843 CB CYS A 57 4.228 -10.462 -25.464 1.00 0.00 C ATOM 844 SG CYS A 57 4.077 -11.521 -26.939 1.00 0.00 S ATOM 0 H CYS A 57 3.782 -8.625 -23.804 1.00 0.00 H new ATOM 0 HA CYS A 57 2.085 -10.448 -25.297 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.527 -9.462 -25.777 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.027 -10.850 -24.832 1.00 0.00 H new ATOM 0 HG CYS A 57 4.912 -11.117 -27.850 1.00 0.00 H new ATOM 849 N GLN A 58 2.997 -12.726 -24.107 1.00 0.00 N ATOM 850 CA GLN A 58 2.959 -13.897 -23.239 1.00 0.00 C ATOM 851 C GLN A 58 4.180 -14.782 -23.467 1.00 0.00 C ATOM 852 O GLN A 58 4.895 -15.126 -22.525 1.00 0.00 O ATOM 853 CB GLN A 58 1.680 -14.700 -23.486 1.00 0.00 C ATOM 854 CG GLN A 58 1.547 -15.922 -22.592 1.00 0.00 C ATOM 855 CD GLN A 58 0.199 -16.601 -22.729 1.00 0.00 C ATOM 856 OE1 GLN A 58 -0.641 -16.184 -23.527 1.00 0.00 O ATOM 857 NE2 GLN A 58 -0.016 -17.653 -21.948 1.00 0.00 N ATOM 0 H GLN A 58 3.109 -12.938 -25.098 1.00 0.00 H new ATOM 0 HA GLN A 58 2.969 -13.552 -22.205 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.818 -14.051 -23.331 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.656 -15.018 -24.528 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.335 -16.634 -22.837 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.697 -15.626 -21.554 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.708 -17.964 -21.301 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.906 -18.150 -21.995 1.00 0.00 H new ATOM 866 N HIS A 59 4.414 -15.148 -24.723 1.00 0.00 N ATOM 867 CA HIS A 59 5.550 -15.993 -25.075 1.00 0.00 C ATOM 868 C HIS A 59 6.857 -15.378 -24.586 1.00 0.00 C ATOM 869 O HIS A 59 7.711 -16.068 -24.029 1.00 0.00 O ATOM 870 CB HIS A 59 5.607 -16.205 -26.588 1.00 0.00 C ATOM 871 CG HIS A 59 4.398 -16.895 -27.142 1.00 0.00 C ATOM 872 ND1 HIS A 59 4.279 -18.267 -27.207 1.00 0.00 N ATOM 873 CD2 HIS A 59 3.251 -16.394 -27.657 1.00 0.00 C ATOM 874 CE1 HIS A 59 3.111 -18.580 -27.740 1.00 0.00 C ATOM 875 NE2 HIS A 59 2.468 -17.461 -28.021 1.00 0.00 N ATOM 0 H HIS A 59 3.832 -14.873 -25.514 1.00 0.00 H new ATOM 0 HA HIS A 59 5.418 -16.958 -24.586 1.00 0.00 H new ATOM 0 HB2 HIS A 59 5.720 -15.238 -27.078 1.00 0.00 H new ATOM 0 HB3 HIS A 59 6.493 -16.791 -26.831 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.999 -15.349 -27.762 1.00 0.00 H new ATOM 0 HE1 HIS A 59 2.745 -19.581 -27.916 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.540 -17.400 -28.440 1.00 0.00 H new ATOM 883 N CYS A 60 7.007 -14.074 -24.798 1.00 0.00 N ATOM 884 CA CYS A 60 8.211 -13.365 -24.380 1.00 0.00 C ATOM 885 C CYS A 60 7.987 -12.649 -23.051 1.00 0.00 C ATOM 886 O CYS A 60 8.937 -12.342 -22.332 1.00 0.00 O ATOM 887 CB CYS A 60 8.630 -12.356 -25.451 1.00 0.00 C ATOM 888 SG CYS A 60 7.488 -10.949 -25.635 1.00 0.00 S ATOM 0 H CYS A 60 6.310 -13.487 -25.257 1.00 0.00 H new ATOM 0 HA CYS A 60 9.007 -14.098 -24.248 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.622 -11.975 -25.208 1.00 0.00 H new ATOM 0 HB3 CYS A 60 8.712 -12.871 -26.408 1.00 0.00 H new ATOM 0 HG CYS A 60 6.418 -11.338 -26.262 1.00 0.00 H new ATOM 893 N ARG A 61 6.723 -12.386 -22.733 1.00 0.00 N ATOM 894 CA ARG A 61 6.374 -11.706 -21.491 1.00 0.00 C ATOM 895 C ARG A 61 6.989 -10.311 -21.444 1.00 0.00 C ATOM 896 O ARG A 61 7.700 -9.965 -20.501 1.00 0.00 O ATOM 897 CB ARG A 61 6.845 -12.524 -20.287 1.00 0.00 C ATOM 898 CG ARG A 61 6.089 -13.829 -20.104 1.00 0.00 C ATOM 899 CD ARG A 61 6.831 -14.996 -20.737 1.00 0.00 C ATOM 900 NE ARG A 61 7.955 -15.440 -19.918 1.00 0.00 N ATOM 901 CZ ARG A 61 8.407 -16.689 -19.905 1.00 0.00 C ATOM 902 NH1 ARG A 61 7.834 -17.613 -20.664 1.00 0.00 N ATOM 903 NH2 ARG A 61 9.434 -17.016 -19.132 1.00 0.00 N ATOM 0 H ARG A 61 5.925 -12.633 -23.318 1.00 0.00 H new ATOM 0 HA ARG A 61 5.289 -11.607 -21.452 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.907 -12.742 -20.400 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.737 -11.922 -19.385 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.945 -14.021 -19.041 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.098 -13.742 -20.549 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.141 -15.826 -20.886 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.194 -14.703 -21.722 1.00 0.00 H new ATOM 0 HE ARG A 61 8.419 -14.753 -19.323 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.044 -17.365 -21.260 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.183 -18.571 -20.652 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.878 -16.308 -18.547 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.780 -17.975 -19.123 1.00 0.00 H new ATOM 917 N LYS A 62 6.711 -9.512 -22.470 1.00 0.00 N ATOM 918 CA LYS A 62 7.235 -8.154 -22.546 1.00 0.00 C ATOM 919 C LYS A 62 6.143 -7.172 -22.958 1.00 0.00 C ATOM 920 O LYS A 62 5.289 -7.491 -23.784 1.00 0.00 O ATOM 921 CB LYS A 62 8.396 -8.089 -23.542 1.00 0.00 C ATOM 922 CG LYS A 62 9.744 -8.425 -22.927 1.00 0.00 C ATOM 923 CD LYS A 62 10.796 -8.675 -23.994 1.00 0.00 C ATOM 924 CE LYS A 62 11.479 -7.383 -24.417 1.00 0.00 C ATOM 925 NZ LYS A 62 12.416 -6.884 -23.373 1.00 0.00 N ATOM 0 H LYS A 62 6.125 -9.783 -23.260 1.00 0.00 H new ATOM 0 HA LYS A 62 7.596 -7.874 -21.556 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.199 -8.778 -24.363 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.441 -7.088 -23.970 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.065 -7.607 -22.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.647 -9.308 -22.296 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.541 -9.374 -23.615 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.332 -9.143 -24.862 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.025 -7.548 -25.346 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.725 -6.623 -24.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.053 -6.175 -23.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.874 -6.451 -22.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.977 -7.677 -23.002 1.00 0.00 H new ATOM 939 N GLN A 63 6.179 -5.977 -22.377 1.00 0.00 N ATOM 940 CA GLN A 63 5.192 -4.948 -22.685 1.00 0.00 C ATOM 941 C GLN A 63 5.654 -4.083 -23.853 1.00 0.00 C ATOM 942 O GLN A 63 6.791 -3.611 -23.877 1.00 0.00 O ATOM 943 CB GLN A 63 4.935 -4.074 -21.457 1.00 0.00 C ATOM 944 CG GLN A 63 3.519 -3.526 -21.385 1.00 0.00 C ATOM 945 CD GLN A 63 2.943 -3.217 -22.753 1.00 0.00 C ATOM 946 OE1 GLN A 63 2.580 -4.121 -23.505 1.00 0.00 O ATOM 947 NE2 GLN A 63 2.857 -1.933 -23.083 1.00 0.00 N ATOM 0 H GLN A 63 6.880 -5.697 -21.691 1.00 0.00 H new ATOM 0 HA GLN A 63 4.264 -5.444 -22.969 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.136 -4.657 -20.558 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.638 -3.241 -21.461 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.879 -4.249 -20.880 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.515 -2.619 -20.780 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.170 -1.216 -22.428 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.478 -1.664 -23.991 1.00 0.00 H new ATOM 956 N PHE A 64 4.765 -3.877 -24.819 1.00 0.00 N ATOM 957 CA PHE A 64 5.082 -3.069 -25.990 1.00 0.00 C ATOM 958 C PHE A 64 4.274 -1.775 -25.994 1.00 0.00 C ATOM 959 O PHE A 64 3.062 -1.786 -25.777 1.00 0.00 O ATOM 960 CB PHE A 64 4.807 -3.859 -27.271 1.00 0.00 C ATOM 961 CG PHE A 64 5.806 -4.950 -27.529 1.00 0.00 C ATOM 962 CD1 PHE A 64 6.077 -5.904 -26.561 1.00 0.00 C ATOM 963 CD2 PHE A 64 6.476 -5.022 -28.740 1.00 0.00 C ATOM 964 CE1 PHE A 64 6.995 -6.909 -26.795 1.00 0.00 C ATOM 965 CE2 PHE A 64 7.396 -6.025 -28.980 1.00 0.00 C ATOM 966 CZ PHE A 64 7.657 -6.969 -28.006 1.00 0.00 C ATOM 0 H PHE A 64 3.819 -4.259 -24.814 1.00 0.00 H new ATOM 0 HA PHE A 64 6.141 -2.815 -25.948 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.810 -4.297 -27.211 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.804 -3.173 -28.118 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.564 -5.861 -25.612 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.277 -4.286 -29.505 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.195 -7.647 -26.032 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.911 -6.071 -29.928 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.377 -7.752 -28.191 1.00 0.00 H new ATOM 976 N LYS A 65 4.953 -0.660 -26.240 1.00 0.00 N ATOM 977 CA LYS A 65 4.300 0.643 -26.273 1.00 0.00 C ATOM 978 C LYS A 65 3.721 0.927 -27.655 1.00 0.00 C ATOM 979 O LYS A 65 3.800 2.049 -28.154 1.00 0.00 O ATOM 980 CB LYS A 65 5.292 1.743 -25.889 1.00 0.00 C ATOM 981 CG LYS A 65 5.893 1.564 -24.506 1.00 0.00 C ATOM 982 CD LYS A 65 7.068 0.600 -24.529 1.00 0.00 C ATOM 983 CE LYS A 65 7.885 0.687 -23.249 1.00 0.00 C ATOM 984 NZ LYS A 65 8.798 1.864 -23.253 1.00 0.00 N ATOM 0 H LYS A 65 5.957 -0.633 -26.420 1.00 0.00 H new ATOM 0 HA LYS A 65 3.483 0.630 -25.552 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.096 1.769 -26.625 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.787 2.708 -25.935 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.221 2.530 -24.123 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.130 1.193 -23.822 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.702 -0.418 -24.660 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.706 0.822 -25.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.213 0.751 -22.393 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.469 -0.225 -23.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.337 1.888 -22.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.456 1.790 -24.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.239 2.737 -23.343 1.00 0.00 H new ATOM 998 N SER A 66 3.136 -0.098 -28.269 1.00 0.00 N ATOM 999 CA SER A 66 2.545 0.041 -29.594 1.00 0.00 C ATOM 1000 C SER A 66 1.808 -1.232 -29.997 1.00 0.00 C ATOM 1001 O SER A 66 2.419 -2.284 -30.186 1.00 0.00 O ATOM 1002 CB SER A 66 3.627 0.366 -30.627 1.00 0.00 C ATOM 1003 OG SER A 66 3.074 1.018 -31.757 1.00 0.00 O ATOM 0 H SER A 66 3.059 -1.033 -27.869 1.00 0.00 H new ATOM 0 HA SER A 66 1.827 0.860 -29.560 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.388 1.001 -30.173 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.123 -0.553 -30.940 1.00 0.00 H new ATOM 0 HG SER A 66 3.786 1.216 -32.401 1.00 0.00 H new ATOM 1009 N LYS A 67 0.490 -1.130 -30.126 1.00 0.00 N ATOM 1010 CA LYS A 67 -0.334 -2.271 -30.507 1.00 0.00 C ATOM 1011 C LYS A 67 0.118 -2.844 -31.847 1.00 0.00 C ATOM 1012 O LYS A 67 0.309 -4.052 -31.983 1.00 0.00 O ATOM 1013 CB LYS A 67 -1.806 -1.861 -30.586 1.00 0.00 C ATOM 1014 CG LYS A 67 -2.770 -3.025 -30.442 1.00 0.00 C ATOM 1015 CD LYS A 67 -4.092 -2.583 -29.837 1.00 0.00 C ATOM 1016 CE LYS A 67 -5.024 -2.008 -30.893 1.00 0.00 C ATOM 1017 NZ LYS A 67 -6.442 -2.006 -30.439 1.00 0.00 N ATOM 0 H LYS A 67 -0.032 -0.267 -29.972 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.219 -3.041 -29.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.013 -1.130 -29.805 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.986 -1.367 -31.541 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.948 -3.474 -31.419 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.321 -3.795 -29.814 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.572 -3.432 -29.350 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.908 -1.835 -29.066 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.718 -0.990 -31.132 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.937 -2.591 -31.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.045 -1.607 -31.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.743 -2.981 -30.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.530 -1.429 -29.578 1.00 0.00 H new ATOM 1031 N ALA A 68 0.287 -1.969 -32.833 1.00 0.00 N ATOM 1032 CA ALA A 68 0.719 -2.389 -34.160 1.00 0.00 C ATOM 1033 C ALA A 68 2.049 -3.132 -34.095 1.00 0.00 C ATOM 1034 O ALA A 68 2.245 -4.135 -34.779 1.00 0.00 O ATOM 1035 CB ALA A 68 0.829 -1.185 -35.084 1.00 0.00 C ATOM 0 H ALA A 68 0.131 -0.965 -32.738 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.030 -3.073 -34.560 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.153 -1.513 -36.072 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.143 -0.698 -35.164 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.556 -0.481 -34.679 1.00 0.00 H new ATOM 1041 N GLY A 69 2.962 -2.631 -33.268 1.00 0.00 N ATOM 1042 CA GLY A 69 4.263 -3.259 -33.130 1.00 0.00 C ATOM 1043 C GLY A 69 4.168 -4.676 -32.600 1.00 0.00 C ATOM 1044 O GLY A 69 4.941 -5.549 -32.998 1.00 0.00 O ATOM 0 H GLY A 69 2.824 -1.801 -32.691 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.763 -3.269 -34.099 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.881 -2.664 -32.458 1.00 0.00 H new ATOM 1048 N LEU A 70 3.221 -4.907 -31.698 1.00 0.00 N ATOM 1049 CA LEU A 70 3.029 -6.228 -31.111 1.00 0.00 C ATOM 1050 C LEU A 70 2.641 -7.247 -32.177 1.00 0.00 C ATOM 1051 O LEU A 70 3.118 -8.381 -32.169 1.00 0.00 O ATOM 1052 CB LEU A 70 1.952 -6.174 -30.025 1.00 0.00 C ATOM 1053 CG LEU A 70 1.572 -7.512 -29.389 1.00 0.00 C ATOM 1054 CD1 LEU A 70 2.647 -7.962 -28.411 1.00 0.00 C ATOM 1055 CD2 LEU A 70 0.224 -7.407 -28.692 1.00 0.00 C ATOM 0 H LEU A 70 2.574 -4.196 -31.357 1.00 0.00 H new ATOM 0 HA LEU A 70 3.973 -6.540 -30.663 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.293 -5.503 -29.236 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.054 -5.730 -30.454 1.00 0.00 H new ATOM 0 HG LEU A 70 1.493 -8.259 -30.179 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.360 -8.916 -27.968 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.594 -8.077 -28.939 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.759 -7.216 -27.624 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.030 -8.368 -28.245 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.276 -6.647 -27.913 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.541 -7.131 -29.418 1.00 0.00 H new ATOM 1067 N ASN A 71 1.773 -6.834 -33.095 1.00 0.00 N ATOM 1068 CA ASN A 71 1.322 -7.711 -34.170 1.00 0.00 C ATOM 1069 C ASN A 71 2.503 -8.206 -35.000 1.00 0.00 C ATOM 1070 O ASN A 71 2.641 -9.404 -35.249 1.00 0.00 O ATOM 1071 CB ASN A 71 0.324 -6.978 -35.069 1.00 0.00 C ATOM 1072 CG ASN A 71 -0.724 -6.223 -34.274 1.00 0.00 C ATOM 1073 OD1 ASN A 71 -1.088 -5.038 -34.751 1.00 0.00 O flip ATOM 1074 ND2 ASN A 71 -1.201 -6.700 -33.244 1.00 0.00 N flip ATOM 0 H ASN A 71 1.368 -5.898 -33.116 1.00 0.00 H new ATOM 0 HA ASN A 71 0.830 -8.573 -33.720 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.862 -6.280 -35.711 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.169 -7.698 -35.723 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.892 -7.614 -32.914 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.906 -6.181 -32.720 1.00 0.00 H new ATOM 1081 N TYR A 72 3.351 -7.276 -35.424 1.00 0.00 N ATOM 1082 CA TYR A 72 4.520 -7.617 -36.228 1.00 0.00 C ATOM 1083 C TYR A 72 5.590 -8.290 -35.374 1.00 0.00 C ATOM 1084 O TYR A 72 6.404 -9.066 -35.876 1.00 0.00 O ATOM 1085 CB TYR A 72 5.093 -6.363 -36.890 1.00 0.00 C ATOM 1086 CG TYR A 72 6.088 -6.660 -37.989 1.00 0.00 C ATOM 1087 CD1 TYR A 72 5.662 -7.033 -39.257 1.00 0.00 C ATOM 1088 CD2 TYR A 72 7.455 -6.566 -37.758 1.00 0.00 C ATOM 1089 CE1 TYR A 72 6.568 -7.306 -40.264 1.00 0.00 C ATOM 1090 CE2 TYR A 72 8.369 -6.836 -38.759 1.00 0.00 C ATOM 1091 CZ TYR A 72 7.920 -7.206 -40.010 1.00 0.00 C ATOM 1092 OH TYR A 72 8.826 -7.475 -41.010 1.00 0.00 O ATOM 0 H TYR A 72 3.252 -6.281 -35.225 1.00 0.00 H new ATOM 0 HA TYR A 72 4.206 -8.317 -37.003 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.274 -5.773 -37.302 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.576 -5.749 -36.130 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.604 -7.111 -39.460 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.809 -6.277 -36.780 1.00 0.00 H new ATOM 0 HE1 TYR A 72 6.220 -7.596 -41.244 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.428 -6.758 -38.563 1.00 0.00 H new ATOM 0 HH TYR A 72 9.736 -7.357 -40.667 1.00 0.00 H new ATOM 1102 N HIS A 73 5.582 -7.988 -34.080 1.00 0.00 N ATOM 1103 CA HIS A 73 6.551 -8.564 -33.154 1.00 0.00 C ATOM 1104 C HIS A 73 6.257 -10.041 -32.910 1.00 0.00 C ATOM 1105 O HIS A 73 7.152 -10.884 -32.987 1.00 0.00 O ATOM 1106 CB HIS A 73 6.536 -7.803 -31.828 1.00 0.00 C ATOM 1107 CG HIS A 73 6.737 -8.681 -30.631 1.00 0.00 C ATOM 1108 ND1 HIS A 73 7.982 -9.075 -30.187 1.00 0.00 N ATOM 1109 CD2 HIS A 73 5.843 -9.240 -29.783 1.00 0.00 C ATOM 1110 CE1 HIS A 73 7.844 -9.840 -29.119 1.00 0.00 C ATOM 1111 NE2 HIS A 73 6.556 -9.955 -28.853 1.00 0.00 N ATOM 0 H HIS A 73 4.915 -7.348 -33.648 1.00 0.00 H new ATOM 0 HA HIS A 73 7.541 -8.478 -33.602 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.317 -7.043 -31.846 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.585 -7.280 -31.729 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.870 -8.816 -30.616 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.768 -9.142 -29.829 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.648 -10.294 -28.559 1.00 0.00 H new ATOM 1119 N THR A 74 4.998 -10.348 -32.613 1.00 0.00 N ATOM 1120 CA THR A 74 4.587 -11.722 -32.355 1.00 0.00 C ATOM 1121 C THR A 74 4.638 -12.559 -33.628 1.00 0.00 C ATOM 1122 O THR A 74 5.123 -13.691 -33.620 1.00 0.00 O ATOM 1123 CB THR A 74 3.163 -11.783 -31.771 1.00 0.00 C ATOM 1124 OG1 THR A 74 3.092 -11.004 -30.572 1.00 0.00 O ATOM 1125 CG2 THR A 74 2.761 -13.219 -31.474 1.00 0.00 C ATOM 0 H THR A 74 4.245 -9.663 -32.545 1.00 0.00 H new ATOM 0 HA THR A 74 5.288 -12.130 -31.626 1.00 0.00 H new ATOM 0 HB THR A 74 2.473 -11.375 -32.510 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.103 -10.051 -30.800 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.752 -13.237 -31.062 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.788 -13.802 -32.395 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.455 -13.649 -30.752 1.00 0.00 H new ATOM 1133 N MET A 75 4.135 -11.996 -34.722 1.00 0.00 N ATOM 1134 CA MET A 75 4.126 -12.691 -36.004 1.00 0.00 C ATOM 1135 C MET A 75 5.547 -12.925 -36.506 1.00 0.00 C ATOM 1136 O MET A 75 5.793 -13.831 -37.301 1.00 0.00 O ATOM 1137 CB MET A 75 3.332 -11.889 -37.037 1.00 0.00 C ATOM 1138 CG MET A 75 4.176 -10.883 -37.804 1.00 0.00 C ATOM 1139 SD MET A 75 5.130 -11.645 -39.130 1.00 0.00 S ATOM 1140 CE MET A 75 4.291 -10.990 -40.571 1.00 0.00 C ATOM 0 H MET A 75 3.729 -11.061 -34.746 1.00 0.00 H new ATOM 0 HA MET A 75 3.647 -13.660 -35.861 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.871 -12.579 -37.744 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.523 -11.362 -36.532 1.00 0.00 H new ATOM 0 HG2 MET A 75 3.527 -10.115 -38.224 1.00 0.00 H new ATOM 0 HG3 MET A 75 4.856 -10.383 -37.114 1.00 0.00 H new ATOM 0 HE1 MET A 75 4.767 -11.372 -41.474 1.00 0.00 H new ATOM 0 HE2 MET A 75 3.245 -11.298 -40.554 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.349 -9.902 -40.563 1.00 0.00 H new ATOM 1150 N ALA A 76 6.478 -12.101 -36.038 1.00 0.00 N ATOM 1151 CA ALA A 76 7.875 -12.219 -36.438 1.00 0.00 C ATOM 1152 C ALA A 76 8.654 -13.094 -35.462 1.00 0.00 C ATOM 1153 O ALA A 76 9.170 -14.147 -35.834 1.00 0.00 O ATOM 1154 CB ALA A 76 8.513 -10.842 -36.542 1.00 0.00 C ATOM 0 H ALA A 76 6.290 -11.344 -35.381 1.00 0.00 H new ATOM 0 HA ALA A 76 7.907 -12.696 -37.417 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.556 -10.946 -36.841 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.980 -10.249 -37.285 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.461 -10.343 -35.574 1.00 0.00 H new ATOM 1160 N GLU A 77 8.735 -12.649 -34.211 1.00 0.00 N ATOM 1161 CA GLU A 77 9.453 -13.392 -33.182 1.00 0.00 C ATOM 1162 C GLU A 77 8.783 -14.737 -32.915 1.00 0.00 C ATOM 1163 O GLU A 77 9.399 -15.792 -33.075 1.00 0.00 O ATOM 1164 CB GLU A 77 9.521 -12.578 -31.888 1.00 0.00 C ATOM 1165 CG GLU A 77 10.641 -11.551 -31.874 1.00 0.00 C ATOM 1166 CD GLU A 77 11.987 -12.151 -32.233 1.00 0.00 C ATOM 1167 OE1 GLU A 77 12.332 -13.213 -31.676 1.00 0.00 O ATOM 1168 OE2 GLU A 77 12.695 -11.557 -33.074 1.00 0.00 O ATOM 0 H GLU A 77 8.313 -11.779 -33.887 1.00 0.00 H new ATOM 0 HA GLU A 77 10.466 -13.575 -33.542 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.569 -12.068 -31.739 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.653 -13.259 -31.047 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.405 -10.752 -32.576 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.701 -11.098 -30.884 1.00 0.00 H new ATOM 1175 N HIS A 78 7.519 -14.692 -32.507 1.00 0.00 N ATOM 1176 CA HIS A 78 6.765 -15.906 -32.217 1.00 0.00 C ATOM 1177 C HIS A 78 5.978 -16.362 -33.442 1.00 0.00 C ATOM 1178 O HIS A 78 4.790 -16.067 -33.573 1.00 0.00 O ATOM 1179 CB HIS A 78 5.815 -15.674 -31.043 1.00 0.00 C ATOM 1180 CG HIS A 78 6.368 -14.754 -29.998 1.00 0.00 C ATOM 1181 ND1 HIS A 78 7.709 -14.690 -29.685 1.00 0.00 N ATOM 1182 CD2 HIS A 78 5.752 -13.856 -29.194 1.00 0.00 C ATOM 1183 CE1 HIS A 78 7.894 -13.794 -28.732 1.00 0.00 C ATOM 1184 NE2 HIS A 78 6.723 -13.273 -28.416 1.00 0.00 N ATOM 0 H HIS A 78 6.995 -13.828 -32.370 1.00 0.00 H new ATOM 0 HA HIS A 78 7.474 -16.690 -31.950 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.879 -15.262 -31.420 1.00 0.00 H new ATOM 0 HB3 HIS A 78 5.578 -16.633 -30.583 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.694 -13.638 -29.169 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.843 -13.532 -28.287 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.565 -12.555 -27.709 1.00 0.00 H new