USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 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 Single : A 8 MET CE :methyl 150:sc= -10.4! (180deg=-14.8!) USER MOD Single : A 15 GLN : amide:sc= -1.19 K(o=-1.2,f=-4.7!) USER MOD Single : A 17 ASN : amide:sc= -0.213 K(o=-0.21,f=-2!) USER MOD Single : A 18 SER OG : rot 91:sc= 1.2 USER MOD Single : A 19 ASN : amide:sc= -0.208 K(o=-0.21,f=-1.6) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -145:sc= -0.196 (180deg=-0.901) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.535! F(o=-1.5,f=-0.54!) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.587 (180deg=0.215) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0259 (180deg=-0.126) USER MOD Single : A 35 GLN : amide:sc= -14.4! C(o=-14!,f=-22!) USER MOD Single : A 57 ASN :FLIP amide:sc= -11.4! C(o=-14!,f=-11!) USER MOD Single : A 61 HIS : no HD1:sc= -1.31 K(o=-1.3,f=-2) USER MOD Single : A 62 THR OG1 : rot -66:sc= 0.365 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -2.07 F(o=-2.7,f=-2.1) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -0.0527 (180deg=-0.677) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.01 X(o=-1,f=-1.1) USER MOD Single : A 83 CYS SG : rot 87:sc= 1.14 USER MOD Single : A 85 MET CE :methyl -133:sc= -5.81! (180deg=-8.54!) USER MOD Single : A 86 ASN : amide:sc= 0.0268 X(o=0.027,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -168:sc= 1.13 (180deg=1.13) USER MOD Single : A 109 TYR OH : rot 180:sc= -1.44! USER MOD Single : A 111 MET CE :methyl -119:sc= -3.32 (180deg=-6.18!) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.396 -0.627 -13.027 1.00 0.00 N ATOM 90 CA ARG A 7 96.049 -0.728 -12.400 1.00 0.00 C ATOM 91 C ARG A 7 96.172 -0.616 -10.878 1.00 0.00 C ATOM 92 O ARG A 7 97.257 -0.505 -10.332 1.00 0.00 O ATOM 93 CB ARG A 7 95.415 -2.072 -12.761 1.00 0.00 C ATOM 94 CG ARG A 7 94.148 -1.832 -13.586 1.00 0.00 C ATOM 95 CD ARG A 7 94.336 -2.402 -14.992 1.00 0.00 C ATOM 96 NE ARG A 7 93.342 -3.489 -15.220 1.00 0.00 N ATOM 97 CZ ARG A 7 93.478 -4.302 -16.234 1.00 0.00 C ATOM 98 NH1 ARG A 7 94.484 -4.166 -17.055 1.00 0.00 N ATOM 99 NH2 ARG A 7 92.607 -5.255 -16.424 1.00 0.00 N ATOM 0 HA ARG A 7 95.422 0.083 -12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.121 -2.679 -13.327 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.172 -2.627 -11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.292 -2.304 -13.103 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.934 -0.765 -13.641 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.209 -1.615 -15.736 1.00 0.00 H new ATOM 0 HD3 ARG A 7 95.348 -2.789 -15.108 1.00 0.00 H new ATOM 0 HE ARG A 7 92.553 -3.599 -14.583 1.00 0.00 H new ATOM 0 HH11 ARG A 7 95.167 -3.423 -16.906 1.00 0.00 H new ATOM 0 HH12 ARG A 7 94.587 -4.802 -17.845 1.00 0.00 H new ATOM 0 HH21 ARG A 7 91.822 -5.364 -15.782 1.00 0.00 H new ATOM 0 HH22 ARG A 7 92.711 -5.891 -17.215 1.00 0.00 H new ATOM 113 N MET A 8 95.065 -0.645 -10.186 1.00 0.00 N ATOM 114 CA MET A 8 95.103 -0.534 -8.702 1.00 0.00 C ATOM 115 C MET A 8 95.751 -1.787 -8.098 1.00 0.00 C ATOM 116 O MET A 8 96.434 -1.723 -7.096 1.00 0.00 O ATOM 117 CB MET A 8 93.675 -0.400 -8.172 1.00 0.00 C ATOM 118 CG MET A 8 93.713 -0.131 -6.668 1.00 0.00 C ATOM 119 SD MET A 8 93.855 -1.700 -5.777 1.00 0.00 S ATOM 120 CE MET A 8 93.690 -1.028 -4.106 1.00 0.00 C ATOM 0 H MET A 8 94.133 -0.741 -10.588 1.00 0.00 H new ATOM 0 HA MET A 8 95.688 0.342 -8.422 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.160 0.413 -8.685 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.113 -1.312 -8.375 1.00 0.00 H new ATOM 0 HG2 MET A 8 94.556 0.515 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 8 92.809 0.394 -6.359 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.228 -1.773 -3.458 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.676 -0.771 -3.718 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.067 -0.134 -4.133 1.00 0.00 H new ATOM 130 N ARG A 9 95.526 -2.925 -8.695 1.00 0.00 N ATOM 131 CA ARG A 9 96.110 -4.190 -8.157 1.00 0.00 C ATOM 132 C ARG A 9 97.639 -4.072 -8.036 1.00 0.00 C ATOM 133 O ARG A 9 98.189 -4.246 -6.960 1.00 0.00 O ATOM 134 CB ARG A 9 95.744 -5.347 -9.090 1.00 0.00 C ATOM 135 CG ARG A 9 94.482 -6.039 -8.567 1.00 0.00 C ATOM 136 CD ARG A 9 93.789 -6.784 -9.710 1.00 0.00 C ATOM 137 NE ARG A 9 94.811 -7.280 -10.676 1.00 0.00 N ATOM 138 CZ ARG A 9 95.613 -8.254 -10.339 1.00 0.00 C ATOM 139 NH1 ARG A 9 95.524 -8.798 -9.155 1.00 0.00 N ATOM 140 NH2 ARG A 9 96.506 -8.683 -11.189 1.00 0.00 N ATOM 0 H ARG A 9 94.960 -3.035 -9.537 1.00 0.00 H new ATOM 0 HA ARG A 9 95.704 -4.377 -7.163 1.00 0.00 H new ATOM 0 HB2 ARG A 9 95.576 -4.975 -10.101 1.00 0.00 H new ATOM 0 HB3 ARG A 9 96.567 -6.059 -9.145 1.00 0.00 H new ATOM 0 HG2 ARG A 9 94.742 -6.736 -7.771 1.00 0.00 H new ATOM 0 HG3 ARG A 9 93.804 -5.302 -8.137 1.00 0.00 H new ATOM 0 HD2 ARG A 9 93.211 -7.620 -9.315 1.00 0.00 H new ATOM 0 HD3 ARG A 9 93.087 -6.122 -10.216 1.00 0.00 H new ATOM 0 HE ARG A 9 94.884 -6.858 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 9 94.827 -8.462 -8.491 1.00 0.00 H new ATOM 0 HH12 ARG A 9 96.152 -9.559 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 9 96.576 -8.258 -12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 9 97.134 -9.444 -10.929 1.00 0.00 H new ATOM 154 N PRO A 10 98.287 -3.773 -9.137 1.00 0.00 N ATOM 155 CA PRO A 10 99.753 -3.627 -9.169 1.00 0.00 C ATOM 156 C PRO A 10 100.178 -2.366 -8.418 1.00 0.00 C ATOM 157 O PRO A 10 101.234 -2.320 -7.821 1.00 0.00 O ATOM 158 CB PRO A 10 100.083 -3.541 -10.659 1.00 0.00 C ATOM 159 CG PRO A 10 98.784 -3.099 -11.354 1.00 0.00 C ATOM 160 CD PRO A 10 97.630 -3.539 -10.436 1.00 0.00 C ATOM 0 HA PRO A 10 100.279 -4.449 -8.684 1.00 0.00 H new ATOM 0 HB2 PRO A 10 100.886 -2.826 -10.841 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.422 -4.504 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 10 98.771 -2.019 -11.504 1.00 0.00 H new ATOM 0 HG3 PRO A 10 98.694 -3.558 -12.338 1.00 0.00 H new ATOM 0 HD2 PRO A 10 96.861 -2.770 -10.363 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.144 -4.441 -10.808 1.00 0.00 H new ATOM 168 N TRP A 11 99.363 -1.348 -8.423 1.00 0.00 N ATOM 169 CA TRP A 11 99.729 -0.109 -7.682 1.00 0.00 C ATOM 170 C TRP A 11 99.931 -0.465 -6.203 1.00 0.00 C ATOM 171 O TRP A 11 100.904 -0.079 -5.576 1.00 0.00 O ATOM 172 CB TRP A 11 98.594 0.913 -7.822 1.00 0.00 C ATOM 173 CG TRP A 11 99.044 2.246 -7.313 1.00 0.00 C ATOM 174 CD1 TRP A 11 99.586 3.228 -8.072 1.00 0.00 C ATOM 175 CD2 TRP A 11 98.991 2.763 -5.953 1.00 0.00 C ATOM 176 NE1 TRP A 11 99.871 4.313 -7.260 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.524 4.074 -5.947 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.539 2.226 -4.733 1.00 0.00 C ATOM 179 CZ2 TRP A 11 99.605 4.827 -4.777 1.00 0.00 C ATOM 180 CZ3 TRP A 11 98.619 2.980 -3.552 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.151 4.278 -3.573 1.00 0.00 C ATOM 0 H TRP A 11 98.465 -1.320 -8.905 1.00 0.00 H new ATOM 0 HA TRP A 11 100.647 0.318 -8.085 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.294 0.995 -8.867 1.00 0.00 H new ATOM 0 HB3 TRP A 11 97.720 0.577 -7.264 1.00 0.00 H new ATOM 0 HD1 TRP A 11 99.766 3.174 -9.135 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.287 5.183 -7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.128 1.228 -4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.015 5.826 -4.800 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.269 2.558 -2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.210 4.853 -2.661 1.00 0.00 H new ATOM 192 N LEU A 12 99.022 -1.219 -5.642 1.00 0.00 N ATOM 193 CA LEU A 12 99.155 -1.618 -4.215 1.00 0.00 C ATOM 194 C LEU A 12 100.318 -2.595 -4.078 1.00 0.00 C ATOM 195 O LEU A 12 101.215 -2.384 -3.292 1.00 0.00 O ATOM 196 CB LEU A 12 97.863 -2.288 -3.743 1.00 0.00 C ATOM 197 CG LEU A 12 97.431 -1.673 -2.410 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.198 -0.173 -2.593 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.135 -2.337 -1.938 1.00 0.00 C ATOM 0 H LEU A 12 98.191 -1.575 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 12 99.342 -0.735 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.079 -2.157 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.017 -3.361 -3.628 1.00 0.00 H new ATOM 0 HG LEU A 12 98.212 -1.831 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.890 0.266 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.121 0.300 -2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.417 -0.014 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.827 -1.899 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.353 -2.179 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.301 -3.406 -1.808 1.00 0.00 H new ATOM 211 N GLU A 13 100.320 -3.659 -4.838 1.00 0.00 N ATOM 212 CA GLU A 13 101.446 -4.633 -4.733 1.00 0.00 C ATOM 213 C GLU A 13 102.767 -3.864 -4.625 1.00 0.00 C ATOM 214 O GLU A 13 103.623 -4.182 -3.819 1.00 0.00 O ATOM 215 CB GLU A 13 101.474 -5.523 -5.977 1.00 0.00 C ATOM 216 CG GLU A 13 102.262 -6.798 -5.672 1.00 0.00 C ATOM 217 CD GLU A 13 102.090 -7.791 -6.823 1.00 0.00 C ATOM 218 OE1 GLU A 13 101.058 -7.742 -7.473 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.993 -8.584 -7.035 1.00 0.00 O ATOM 0 H GLU A 13 99.599 -3.894 -5.520 1.00 0.00 H new ATOM 0 HA GLU A 13 101.309 -5.256 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.458 -5.774 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.933 -4.989 -6.809 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.317 -6.562 -5.536 1.00 0.00 H new ATOM 0 HG3 GLU A 13 101.911 -7.241 -4.740 1.00 0.00 H new ATOM 226 N GLU A 14 102.929 -2.847 -5.428 1.00 0.00 N ATOM 227 CA GLU A 14 104.182 -2.042 -5.384 1.00 0.00 C ATOM 228 C GLU A 14 104.251 -1.272 -4.066 1.00 0.00 C ATOM 229 O GLU A 14 105.285 -1.206 -3.435 1.00 0.00 O ATOM 230 CB GLU A 14 104.198 -1.056 -6.555 1.00 0.00 C ATOM 231 CG GLU A 14 105.544 -1.146 -7.274 1.00 0.00 C ATOM 232 CD GLU A 14 106.042 0.261 -7.603 1.00 0.00 C ATOM 233 OE1 GLU A 14 106.334 0.998 -6.676 1.00 0.00 O ATOM 234 OE2 GLU A 14 106.124 0.579 -8.779 1.00 0.00 O ATOM 0 H GLU A 14 102.243 -2.538 -6.116 1.00 0.00 H new ATOM 0 HA GLU A 14 105.042 -2.707 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.387 -1.283 -7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 14 104.033 -0.041 -6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 14 106.270 -1.662 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 14 105.441 -1.730 -8.189 1.00 0.00 H new ATOM 241 N GLN A 15 103.164 -0.682 -3.643 1.00 0.00 N ATOM 242 CA GLN A 15 103.194 0.078 -2.358 1.00 0.00 C ATOM 243 C GLN A 15 103.523 -0.876 -1.203 1.00 0.00 C ATOM 244 O GLN A 15 104.548 -0.760 -0.564 1.00 0.00 O ATOM 245 CB GLN A 15 101.832 0.729 -2.112 1.00 0.00 C ATOM 246 CG GLN A 15 101.576 1.816 -3.159 1.00 0.00 C ATOM 247 CD GLN A 15 102.834 2.669 -3.343 1.00 0.00 C ATOM 248 OE1 GLN A 15 103.492 3.017 -2.383 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.197 3.022 -4.546 1.00 0.00 N ATOM 0 H GLN A 15 102.265 -0.692 -4.125 1.00 0.00 H new ATOM 0 HA GLN A 15 103.959 0.853 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.046 -0.024 -2.158 1.00 0.00 H new ATOM 0 HB3 GLN A 15 101.801 1.161 -1.112 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.293 1.360 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.742 2.445 -2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 15 102.644 2.730 -5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 15 104.033 3.590 -4.680 1.00 0.00 H new ATOM 258 N ILE A 16 102.656 -1.811 -0.928 1.00 0.00 N ATOM 259 CA ILE A 16 102.906 -2.773 0.185 1.00 0.00 C ATOM 260 C ILE A 16 104.331 -3.333 0.092 1.00 0.00 C ATOM 261 O ILE A 16 105.089 -3.279 1.039 1.00 0.00 O ATOM 262 CB ILE A 16 101.908 -3.928 0.089 1.00 0.00 C ATOM 263 CG1 ILE A 16 100.482 -3.376 0.088 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.088 -4.862 1.286 1.00 0.00 C ATOM 265 CD1 ILE A 16 99.624 -4.180 -0.891 1.00 0.00 C ATOM 0 H ILE A 16 101.779 -1.952 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 16 102.787 -2.253 1.136 1.00 0.00 H new ATOM 0 HB ILE A 16 102.085 -4.480 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.058 -3.432 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 16 100.488 -2.324 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.376 -5.684 1.216 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.103 -5.260 1.288 1.00 0.00 H new ATOM 0 HG23 ILE A 16 101.914 -4.309 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 16 98.607 -3.787 -0.892 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.045 -4.101 -1.893 1.00 0.00 H new ATOM 0 HD13 ILE A 16 99.608 -5.226 -0.586 1.00 0.00 H new ATOM 277 N ASN A 17 104.697 -3.890 -1.034 1.00 0.00 N ATOM 278 CA ASN A 17 106.068 -4.469 -1.169 1.00 0.00 C ATOM 279 C ASN A 17 107.125 -3.366 -1.056 1.00 0.00 C ATOM 280 O ASN A 17 108.262 -3.618 -0.710 1.00 0.00 O ATOM 281 CB ASN A 17 106.195 -5.152 -2.530 1.00 0.00 C ATOM 282 CG ASN A 17 107.056 -6.409 -2.396 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.715 -6.604 -1.393 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.079 -7.276 -3.371 1.00 0.00 N ATOM 0 H ASN A 17 104.108 -3.969 -1.863 1.00 0.00 H new ATOM 0 HA ASN A 17 106.227 -5.194 -0.371 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.208 -5.414 -2.910 1.00 0.00 H new ATOM 0 HB3 ASN A 17 106.642 -4.468 -3.251 1.00 0.00 H new ATOM 0 HD21 ASN A 17 107.650 -8.118 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 17 106.526 -7.112 -4.212 1.00 0.00 H new ATOM 291 N SER A 18 106.765 -2.151 -1.354 1.00 0.00 N ATOM 292 CA SER A 18 107.755 -1.039 -1.273 1.00 0.00 C ATOM 293 C SER A 18 107.735 -0.426 0.129 1.00 0.00 C ATOM 294 O SER A 18 108.584 0.368 0.481 1.00 0.00 O ATOM 295 CB SER A 18 107.397 0.034 -2.303 1.00 0.00 C ATOM 296 OG SER A 18 107.668 -0.459 -3.609 1.00 0.00 O ATOM 0 H SER A 18 105.828 -1.878 -1.651 1.00 0.00 H new ATOM 0 HA SER A 18 108.752 -1.429 -1.479 1.00 0.00 H new ATOM 0 HB2 SER A 18 106.344 0.303 -2.214 1.00 0.00 H new ATOM 0 HB3 SER A 18 107.974 0.940 -2.117 1.00 0.00 H new ATOM 0 HG SER A 18 106.868 -0.898 -3.965 1.00 0.00 H new ATOM 302 N ASN A 19 106.772 -0.784 0.934 1.00 0.00 N ATOM 303 CA ASN A 19 106.704 -0.215 2.308 1.00 0.00 C ATOM 304 C ASN A 19 106.640 1.311 2.220 1.00 0.00 C ATOM 305 O ASN A 19 107.582 2.003 2.555 1.00 0.00 O ATOM 306 CB ASN A 19 107.949 -0.633 3.097 1.00 0.00 C ATOM 307 CG ASN A 19 107.601 -1.802 4.018 1.00 0.00 C ATOM 308 OD1 ASN A 19 106.741 -2.602 3.704 1.00 0.00 O ATOM 309 ND2 ASN A 19 108.235 -1.938 5.150 1.00 0.00 N ATOM 0 H ASN A 19 106.031 -1.445 0.699 1.00 0.00 H new ATOM 0 HA ASN A 19 105.814 -0.588 2.815 1.00 0.00 H new ATOM 0 HB2 ASN A 19 108.747 -0.921 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.320 0.208 3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 19 108.009 -2.715 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.957 -1.267 5.414 1.00 0.00 H new ATOM 316 N THR A 20 105.536 1.841 1.767 1.00 0.00 N ATOM 317 CA THR A 20 105.409 3.321 1.655 1.00 0.00 C ATOM 318 C THR A 20 104.876 3.886 2.972 1.00 0.00 C ATOM 319 O THR A 20 105.051 5.048 3.279 1.00 0.00 O ATOM 320 CB THR A 20 104.440 3.665 0.519 1.00 0.00 C ATOM 321 OG1 THR A 20 104.368 5.076 0.372 1.00 0.00 O ATOM 322 CG2 THR A 20 103.052 3.111 0.844 1.00 0.00 C ATOM 0 H THR A 20 104.716 1.312 1.470 1.00 0.00 H new ATOM 0 HA THR A 20 106.385 3.756 1.442 1.00 0.00 H new ATOM 0 HB THR A 20 104.796 3.221 -0.410 1.00 0.00 H new ATOM 0 HG1 THR A 20 103.750 5.298 -0.355 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.364 3.356 0.035 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.109 2.028 0.956 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.692 3.553 1.773 1.00 0.00 H new ATOM 330 N ILE A 21 104.227 3.067 3.755 1.00 0.00 N ATOM 331 CA ILE A 21 103.684 3.547 5.057 1.00 0.00 C ATOM 332 C ILE A 21 104.091 2.563 6.163 1.00 0.00 C ATOM 333 O ILE A 21 104.069 1.364 5.960 1.00 0.00 O ATOM 334 CB ILE A 21 102.157 3.617 4.970 1.00 0.00 C ATOM 335 CG1 ILE A 21 101.748 4.403 3.711 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.597 4.300 6.221 1.00 0.00 C ATOM 337 CD1 ILE A 21 101.782 5.912 3.987 1.00 0.00 C ATOM 0 H ILE A 21 104.049 2.084 3.548 1.00 0.00 H new ATOM 0 HA ILE A 21 104.081 4.537 5.284 1.00 0.00 H new ATOM 0 HB ILE A 21 101.751 2.607 4.908 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.422 4.162 2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 21 100.747 4.107 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.510 4.347 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.882 3.730 7.105 1.00 0.00 H new ATOM 0 HG23 ILE A 21 102.000 5.310 6.295 1.00 0.00 H new ATOM 0 HD11 ILE A 21 101.490 6.453 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 21 101.089 6.150 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 21 102.791 6.206 4.276 1.00 0.00 H new ATOM 349 N PRO A 22 104.453 3.099 7.303 1.00 0.00 N ATOM 350 CA PRO A 22 104.880 2.287 8.458 1.00 0.00 C ATOM 351 C PRO A 22 103.671 1.619 9.111 1.00 0.00 C ATOM 352 O PRO A 22 103.058 2.155 10.014 1.00 0.00 O ATOM 353 CB PRO A 22 105.531 3.304 9.398 1.00 0.00 C ATOM 354 CG PRO A 22 104.957 4.685 9.006 1.00 0.00 C ATOM 355 CD PRO A 22 104.459 4.555 7.553 1.00 0.00 C ATOM 0 HA PRO A 22 105.561 1.479 8.189 1.00 0.00 H new ATOM 0 HB2 PRO A 22 105.307 3.071 10.439 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.616 3.290 9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 22 104.142 4.970 9.672 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.720 5.459 9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.464 4.984 7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.117 5.076 6.858 1.00 0.00 H new ATOM 363 N GLY A 23 103.324 0.451 8.651 1.00 0.00 N ATOM 364 CA GLY A 23 102.155 -0.266 9.223 1.00 0.00 C ATOM 365 C GLY A 23 101.459 -1.045 8.107 1.00 0.00 C ATOM 366 O GLY A 23 100.734 -1.989 8.350 1.00 0.00 O ATOM 0 H GLY A 23 103.805 -0.041 7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 23 102.478 -0.945 10.012 1.00 0.00 H new ATOM 0 HA3 GLY A 23 101.463 0.443 9.677 1.00 0.00 H new ATOM 370 N LEU A 24 101.678 -0.652 6.880 1.00 0.00 N ATOM 371 CA LEU A 24 101.036 -1.361 5.740 1.00 0.00 C ATOM 372 C LEU A 24 102.091 -2.235 5.051 1.00 0.00 C ATOM 373 O LEU A 24 103.167 -1.775 4.723 1.00 0.00 O ATOM 374 CB LEU A 24 100.455 -0.307 4.773 1.00 0.00 C ATOM 375 CG LEU A 24 100.859 -0.596 3.323 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.297 -1.954 2.898 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.302 0.497 2.409 1.00 0.00 C ATOM 0 H LEU A 24 102.276 0.132 6.620 1.00 0.00 H new ATOM 0 HA LEU A 24 100.224 -2.005 6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.368 -0.296 4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.806 0.684 5.059 1.00 0.00 H new ATOM 0 HG LEU A 24 101.946 -0.613 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.584 -2.160 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.696 -2.733 3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.210 -1.938 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.590 0.291 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.215 0.516 2.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.704 1.464 2.711 1.00 0.00 H new ATOM 389 N LYS A 25 101.801 -3.490 4.829 1.00 0.00 N ATOM 390 CA LYS A 25 102.814 -4.362 4.161 1.00 0.00 C ATOM 391 C LYS A 25 102.291 -5.794 3.992 1.00 0.00 C ATOM 392 O LYS A 25 101.245 -6.151 4.493 1.00 0.00 O ATOM 393 CB LYS A 25 104.094 -4.383 4.994 1.00 0.00 C ATOM 394 CG LYS A 25 103.732 -4.362 6.475 1.00 0.00 C ATOM 395 CD LYS A 25 102.917 -5.608 6.807 1.00 0.00 C ATOM 396 CE LYS A 25 103.264 -6.079 8.220 1.00 0.00 C ATOM 397 NZ LYS A 25 104.682 -6.535 8.258 1.00 0.00 N ATOM 0 H LYS A 25 100.922 -3.944 5.076 1.00 0.00 H new ATOM 0 HA LYS A 25 103.017 -3.954 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.677 -5.274 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.716 -3.522 4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.636 -4.331 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.160 -3.465 6.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.852 -5.389 6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 25 103.129 -6.398 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 25 103.112 -5.268 8.932 1.00 0.00 H new ATOM 0 HE3 LYS A 25 102.601 -6.892 8.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.771 -7.338 8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.977 -6.831 7.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 105.289 -5.755 8.582 1.00 0.00 H new ATOM 411 N TRP A 26 103.023 -6.611 3.276 1.00 0.00 N ATOM 412 CA TRP A 26 102.598 -8.024 3.049 1.00 0.00 C ATOM 413 C TRP A 26 102.910 -8.871 4.281 1.00 0.00 C ATOM 414 O TRP A 26 104.055 -9.172 4.553 1.00 0.00 O ATOM 415 CB TRP A 26 103.390 -8.618 1.878 1.00 0.00 C ATOM 416 CG TRP A 26 102.956 -8.023 0.579 1.00 0.00 C ATOM 417 CD1 TRP A 26 103.696 -7.175 -0.166 1.00 0.00 C ATOM 418 CD2 TRP A 26 101.718 -8.237 -0.152 1.00 0.00 C ATOM 419 NE1 TRP A 26 102.984 -6.840 -1.303 1.00 0.00 N ATOM 420 CE2 TRP A 26 101.757 -7.472 -1.340 1.00 0.00 C ATOM 421 CE3 TRP A 26 100.574 -9.010 0.103 1.00 0.00 C ATOM 422 CZ2 TRP A 26 100.697 -7.475 -2.246 1.00 0.00 C ATOM 423 CZ3 TRP A 26 99.505 -9.018 -0.807 1.00 0.00 C ATOM 424 CH2 TRP A 26 99.567 -8.252 -1.980 1.00 0.00 C ATOM 0 H TRP A 26 103.906 -6.355 2.835 1.00 0.00 H new ATOM 0 HA TRP A 26 101.528 -8.029 2.841 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.455 -8.438 2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.250 -9.699 1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 26 104.683 -6.817 0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 26 103.323 -6.205 -2.025 1.00 0.00 H new ATOM 0 HE3 TRP A 26 100.516 -9.602 1.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 100.749 -6.881 -3.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 98.630 -9.617 -0.603 1.00 0.00 H new ATOM 0 HH2 TRP A 26 98.742 -8.263 -2.677 1.00 0.00 H new ATOM 435 N LEU A 27 101.919 -9.306 5.008 1.00 0.00 N ATOM 436 CA LEU A 27 102.224 -10.177 6.175 1.00 0.00 C ATOM 437 C LEU A 27 102.840 -11.453 5.618 1.00 0.00 C ATOM 438 O LEU A 27 103.655 -12.106 6.240 1.00 0.00 O ATOM 439 CB LEU A 27 100.944 -10.524 6.939 1.00 0.00 C ATOM 440 CG LEU A 27 100.054 -9.288 7.085 1.00 0.00 C ATOM 441 CD1 LEU A 27 99.127 -9.492 8.280 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.912 -8.042 7.321 1.00 0.00 C ATOM 0 H LEU A 27 100.932 -9.102 4.850 1.00 0.00 H new ATOM 0 HA LEU A 27 102.898 -9.669 6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.402 -11.310 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 27 101.197 -10.916 7.924 1.00 0.00 H new ATOM 0 HG LEU A 27 99.474 -9.150 6.172 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.486 -8.618 8.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.510 -10.375 8.115 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.722 -9.629 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.266 -7.170 7.423 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.496 -8.170 8.232 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.585 -7.898 6.476 1.00 0.00 H new ATOM 454 N ASN A 28 102.450 -11.786 4.421 1.00 0.00 N ATOM 455 CA ASN A 28 102.982 -12.992 3.745 1.00 0.00 C ATOM 456 C ASN A 28 102.758 -12.819 2.243 1.00 0.00 C ATOM 457 O ASN A 28 101.840 -13.377 1.672 1.00 0.00 O ATOM 458 CB ASN A 28 102.244 -14.236 4.243 1.00 0.00 C ATOM 459 CG ASN A 28 103.088 -14.932 5.315 1.00 0.00 C ATOM 460 OD1 ASN A 28 102.532 -15.282 6.441 1.00 0.00 O flip ATOM 461 ND2 ASN A 28 104.267 -15.160 5.123 1.00 0.00 N flip ATOM 0 H ASN A 28 101.770 -11.259 3.874 1.00 0.00 H new ATOM 0 HA ASN A 28 104.043 -13.115 3.961 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.273 -13.957 4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.056 -14.917 3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 28 104.703 -14.886 4.242 1.00 0.00 H new ATOM 0 HD22 ASN A 28 104.820 -15.625 5.843 1.00 0.00 H new ATOM 468 N LYS A 29 103.577 -12.028 1.603 1.00 0.00 N ATOM 469 CA LYS A 29 103.405 -11.805 0.142 1.00 0.00 C ATOM 470 C LYS A 29 103.413 -13.162 -0.565 1.00 0.00 C ATOM 471 O LYS A 29 102.804 -13.335 -1.602 1.00 0.00 O ATOM 472 CB LYS A 29 104.544 -10.918 -0.381 1.00 0.00 C ATOM 473 CG LYS A 29 104.550 -10.918 -1.913 1.00 0.00 C ATOM 474 CD LYS A 29 103.529 -9.902 -2.429 1.00 0.00 C ATOM 475 CE LYS A 29 102.242 -10.625 -2.829 1.00 0.00 C ATOM 476 NZ LYS A 29 101.697 -10.016 -4.075 1.00 0.00 N ATOM 0 H LYS A 29 104.357 -11.528 2.030 1.00 0.00 H new ATOM 0 HA LYS A 29 102.459 -11.301 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 29 104.422 -9.900 -0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 29 105.500 -11.282 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 29 105.545 -10.669 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 29 104.310 -11.913 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 29 103.317 -9.161 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 29 103.937 -9.364 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 29 102.442 -11.685 -2.987 1.00 0.00 H new ATOM 0 HE3 LYS A 29 101.508 -10.555 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 101.007 -10.664 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 101.230 -9.116 -3.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 102.473 -9.842 -4.745 1.00 0.00 H new ATOM 490 N GLU A 30 104.088 -14.129 -0.007 1.00 0.00 N ATOM 491 CA GLU A 30 104.115 -15.474 -0.647 1.00 0.00 C ATOM 492 C GLU A 30 102.681 -15.980 -0.807 1.00 0.00 C ATOM 493 O GLU A 30 102.278 -16.410 -1.870 1.00 0.00 O ATOM 494 CB GLU A 30 104.912 -16.452 0.219 1.00 0.00 C ATOM 495 CG GLU A 30 104.702 -16.133 1.699 1.00 0.00 C ATOM 496 CD GLU A 30 105.999 -15.582 2.292 1.00 0.00 C ATOM 497 OE1 GLU A 30 106.897 -15.279 1.523 1.00 0.00 O ATOM 498 OE2 GLU A 30 106.074 -15.472 3.504 1.00 0.00 O ATOM 0 H GLU A 30 104.619 -14.047 0.860 1.00 0.00 H new ATOM 0 HA GLU A 30 104.592 -15.400 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 30 104.597 -17.474 0.011 1.00 0.00 H new ATOM 0 HB3 GLU A 30 105.972 -16.389 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.899 -15.405 1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.397 -17.031 2.236 1.00 0.00 H new ATOM 505 N LYS A 31 101.901 -15.921 0.238 1.00 0.00 N ATOM 506 CA LYS A 31 100.490 -16.384 0.142 1.00 0.00 C ATOM 507 C LYS A 31 99.621 -15.224 -0.356 1.00 0.00 C ATOM 508 O LYS A 31 98.456 -15.394 -0.657 1.00 0.00 O ATOM 509 CB LYS A 31 100.007 -16.842 1.521 1.00 0.00 C ATOM 510 CG LYS A 31 100.402 -18.303 1.739 1.00 0.00 C ATOM 511 CD LYS A 31 99.933 -18.755 3.124 1.00 0.00 C ATOM 512 CE LYS A 31 101.147 -19.008 4.019 1.00 0.00 C ATOM 513 NZ LYS A 31 100.816 -20.065 5.015 1.00 0.00 N ATOM 0 H LYS A 31 102.182 -15.572 1.154 1.00 0.00 H new ATOM 0 HA LYS A 31 100.419 -17.220 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.445 -16.216 2.298 1.00 0.00 H new ATOM 0 HB3 LYS A 31 98.925 -16.732 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.955 -18.931 0.969 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.483 -18.416 1.654 1.00 0.00 H new ATOM 0 HD2 LYS A 31 99.293 -17.993 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 31 99.336 -19.663 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 31 102.000 -19.317 3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 31 101.434 -18.089 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 101.641 -20.238 5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 100.014 -19.753 5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 100.562 -20.943 4.518 1.00 0.00 H new ATOM 527 N LYS A 32 100.191 -14.048 -0.457 1.00 0.00 N ATOM 528 CA LYS A 32 99.427 -12.867 -0.952 1.00 0.00 C ATOM 529 C LYS A 32 98.588 -12.252 0.174 1.00 0.00 C ATOM 530 O LYS A 32 97.412 -11.998 0.009 1.00 0.00 O ATOM 531 CB LYS A 32 98.506 -13.295 -2.098 1.00 0.00 C ATOM 532 CG LYS A 32 98.447 -12.186 -3.150 1.00 0.00 C ATOM 533 CD LYS A 32 99.008 -12.707 -4.476 1.00 0.00 C ATOM 534 CE LYS A 32 100.348 -13.403 -4.230 1.00 0.00 C ATOM 535 NZ LYS A 32 100.262 -14.820 -4.685 1.00 0.00 N ATOM 0 H LYS A 32 101.163 -13.857 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 32 100.137 -12.120 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 32 98.873 -14.218 -2.548 1.00 0.00 H new ATOM 0 HB3 LYS A 32 97.506 -13.502 -1.717 1.00 0.00 H new ATOM 0 HG2 LYS A 32 97.418 -11.853 -3.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 99.021 -11.322 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 32 98.304 -13.403 -4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 32 99.139 -11.882 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.143 -12.885 -4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 32 100.601 -13.365 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.023 -15.374 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 99.341 -15.217 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 100.362 -14.859 -5.719 1.00 0.00 H new ATOM 549 N ILE A 33 99.177 -11.991 1.312 1.00 0.00 N ATOM 550 CA ILE A 33 98.389 -11.371 2.420 1.00 0.00 C ATOM 551 C ILE A 33 98.968 -9.998 2.756 1.00 0.00 C ATOM 552 O ILE A 33 100.143 -9.865 3.042 1.00 0.00 O ATOM 553 CB ILE A 33 98.444 -12.244 3.668 1.00 0.00 C ATOM 554 CG1 ILE A 33 97.864 -13.624 3.352 1.00 0.00 C ATOM 555 CG2 ILE A 33 97.622 -11.573 4.773 1.00 0.00 C ATOM 556 CD1 ILE A 33 98.974 -14.529 2.814 1.00 0.00 C ATOM 0 H ILE A 33 100.158 -12.177 1.522 1.00 0.00 H new ATOM 0 HA ILE A 33 97.354 -11.273 2.093 1.00 0.00 H new ATOM 0 HB ILE A 33 99.476 -12.362 3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 33 97.426 -14.061 4.249 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.064 -13.535 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 33 97.652 -12.187 5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.039 -10.590 4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 33 96.589 -11.464 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 33 98.564 -15.513 2.588 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.391 -14.093 1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 33 99.759 -14.627 3.564 1.00 0.00 H new ATOM 568 N PHE A 34 98.161 -8.973 2.732 1.00 0.00 N ATOM 569 CA PHE A 34 98.696 -7.624 3.055 1.00 0.00 C ATOM 570 C PHE A 34 97.787 -6.920 4.064 1.00 0.00 C ATOM 571 O PHE A 34 96.584 -6.883 3.907 1.00 0.00 O ATOM 572 CB PHE A 34 98.783 -6.789 1.766 1.00 0.00 C ATOM 573 CG PHE A 34 97.422 -6.215 1.414 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.941 -5.091 2.098 1.00 0.00 C ATOM 575 CD2 PHE A 34 96.647 -6.799 0.403 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.689 -4.554 1.776 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.394 -6.261 0.082 1.00 0.00 C ATOM 578 CZ PHE A 34 94.915 -5.139 0.767 1.00 0.00 C ATOM 0 H PHE A 34 97.167 -9.011 2.506 1.00 0.00 H new ATOM 0 HA PHE A 34 99.689 -7.730 3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.503 -5.981 1.897 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.146 -7.410 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.538 -4.638 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.016 -7.664 -0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 34 95.320 -3.688 2.306 1.00 0.00 H new ATOM 0 HE2 PHE A 34 94.797 -6.713 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 34 93.949 -4.725 0.518 1.00 0.00 H new ATOM 588 N GLN A 35 98.354 -6.345 5.089 1.00 0.00 N ATOM 589 CA GLN A 35 97.517 -5.629 6.087 1.00 0.00 C ATOM 590 C GLN A 35 97.880 -4.146 6.066 1.00 0.00 C ATOM 591 O GLN A 35 99.033 -3.773 5.956 1.00 0.00 O ATOM 592 CB GLN A 35 97.725 -6.228 7.493 1.00 0.00 C ATOM 593 CG GLN A 35 98.887 -5.551 8.216 1.00 0.00 C ATOM 594 CD GLN A 35 98.439 -4.203 8.786 1.00 0.00 C ATOM 595 OE1 GLN A 35 97.334 -3.764 8.541 1.00 0.00 O ATOM 596 NE2 GLN A 35 99.259 -3.523 9.537 1.00 0.00 N ATOM 0 H GLN A 35 99.357 -6.341 5.276 1.00 0.00 H new ATOM 0 HA GLN A 35 96.463 -5.743 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 35 96.813 -6.113 8.078 1.00 0.00 H new ATOM 0 HB3 GLN A 35 97.918 -7.298 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 35 99.248 -6.192 9.020 1.00 0.00 H new ATOM 0 HG3 GLN A 35 99.719 -5.405 7.527 1.00 0.00 H new ATOM 0 HE21 GLN A 35 100.187 -3.892 9.743 1.00 0.00 H new ATOM 0 HE22 GLN A 35 98.972 -2.622 9.919 1.00 0.00 H new ATOM 605 N ILE A 36 96.897 -3.301 6.171 1.00 0.00 N ATOM 606 CA ILE A 36 97.158 -1.834 6.158 1.00 0.00 C ATOM 607 C ILE A 36 96.729 -1.282 7.526 1.00 0.00 C ATOM 608 O ILE A 36 95.953 -1.918 8.193 1.00 0.00 O ATOM 609 CB ILE A 36 96.315 -1.234 5.014 1.00 0.00 C ATOM 610 CG1 ILE A 36 97.104 -1.322 3.708 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.941 0.230 5.275 1.00 0.00 C ATOM 612 CD1 ILE A 36 96.187 -0.973 2.535 1.00 0.00 C ATOM 0 H ILE A 36 95.916 -3.563 6.266 1.00 0.00 H new ATOM 0 HA ILE A 36 98.207 -1.587 5.993 1.00 0.00 H new ATOM 0 HB ILE A 36 95.391 -1.808 4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.952 -0.638 3.736 1.00 0.00 H new ATOM 0 HG13 ILE A 36 97.508 -2.326 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 36 95.348 0.608 4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.360 0.299 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.849 0.825 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 36 96.749 -1.035 1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 36 95.353 -1.674 2.504 1.00 0.00 H new ATOM 0 HD13 ILE A 36 95.805 0.040 2.661 1.00 0.00 H new ATOM 624 N PRO A 37 97.242 -0.134 7.922 1.00 0.00 N ATOM 625 CA PRO A 37 96.878 0.484 9.217 1.00 0.00 C ATOM 626 C PRO A 37 95.560 1.271 9.107 1.00 0.00 C ATOM 627 O PRO A 37 94.732 1.220 9.994 1.00 0.00 O ATOM 628 CB PRO A 37 98.044 1.411 9.510 1.00 0.00 C ATOM 629 CG PRO A 37 98.720 1.718 8.148 1.00 0.00 C ATOM 630 CD PRO A 37 98.248 0.633 7.158 1.00 0.00 C ATOM 0 HA PRO A 37 96.713 -0.252 10.004 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.699 2.329 9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.749 0.941 10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.442 2.711 7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.806 1.707 8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.816 1.073 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 37 99.074 -0.001 6.837 1.00 0.00 H new ATOM 638 N TRP A 38 95.339 1.964 8.020 1.00 0.00 N ATOM 639 CA TRP A 38 94.047 2.707 7.859 1.00 0.00 C ATOM 640 C TRP A 38 93.955 3.860 8.860 1.00 0.00 C ATOM 641 O TRP A 38 94.936 4.508 9.167 1.00 0.00 O ATOM 642 CB TRP A 38 92.905 1.724 8.089 1.00 0.00 C ATOM 643 CG TRP A 38 93.204 0.526 7.272 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.978 -0.499 7.661 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.795 0.239 5.915 1.00 0.00 C ATOM 646 NE1 TRP A 38 94.067 -1.410 6.625 1.00 0.00 N ATOM 647 CE2 TRP A 38 93.352 -0.994 5.526 1.00 0.00 C ATOM 648 CE3 TRP A 38 92.000 0.927 5.000 1.00 0.00 C ATOM 649 CZ2 TRP A 38 93.131 -1.527 4.262 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.770 0.403 3.727 1.00 0.00 C ATOM 651 CH2 TRP A 38 92.339 -0.824 3.353 1.00 0.00 C ATOM 0 H TRP A 38 95.991 2.049 7.240 1.00 0.00 H new ATOM 0 HA TRP A 38 93.989 3.132 6.857 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.826 1.463 9.144 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.951 2.164 7.797 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.454 -0.596 8.626 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.596 -2.281 6.670 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.559 1.873 5.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 93.568 -2.475 3.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 91.151 0.944 3.027 1.00 0.00 H new ATOM 0 HH2 TRP A 38 92.165 -1.223 2.365 1.00 0.00 H new ATOM 865 N ALA A 52 96.319 8.814 4.915 1.00 0.00 N ATOM 866 CA ALA A 52 95.955 10.049 4.163 1.00 0.00 C ATOM 867 C ALA A 52 96.980 10.406 3.054 1.00 0.00 C ATOM 868 O ALA A 52 96.631 11.142 2.152 1.00 0.00 O ATOM 869 CB ALA A 52 95.867 11.215 5.148 1.00 0.00 C ATOM 0 HA ALA A 52 94.999 9.863 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 52 95.601 12.126 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 52 95.106 11.001 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 52 96.831 11.351 5.638 1.00 0.00 H new ATOM 875 N PRO A 53 98.209 9.919 3.129 1.00 0.00 N ATOM 876 CA PRO A 53 99.229 10.249 2.112 1.00 0.00 C ATOM 877 C PRO A 53 98.982 9.480 0.810 1.00 0.00 C ATOM 878 O PRO A 53 99.076 10.034 -0.267 1.00 0.00 O ATOM 879 CB PRO A 53 100.549 9.840 2.768 1.00 0.00 C ATOM 880 CG PRO A 53 100.193 8.810 3.861 1.00 0.00 C ATOM 881 CD PRO A 53 98.703 9.014 4.192 1.00 0.00 C ATOM 0 HA PRO A 53 99.217 11.301 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 53 101.230 9.408 2.034 1.00 0.00 H new ATOM 0 HB3 PRO A 53 101.053 10.705 3.199 1.00 0.00 H new ATOM 0 HG2 PRO A 53 100.376 7.794 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 53 100.810 8.957 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 53 98.163 8.067 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 53 98.572 9.454 5.181 1.00 0.00 H new ATOM 889 N LEU A 54 98.653 8.220 0.889 1.00 0.00 N ATOM 890 CA LEU A 54 98.388 7.452 -0.363 1.00 0.00 C ATOM 891 C LEU A 54 97.069 7.945 -0.921 1.00 0.00 C ATOM 892 O LEU A 54 96.953 8.358 -2.056 1.00 0.00 O ATOM 893 CB LEU A 54 98.233 5.958 -0.055 1.00 0.00 C ATOM 894 CG LEU A 54 99.515 5.339 0.525 1.00 0.00 C ATOM 895 CD1 LEU A 54 100.500 6.409 1.010 1.00 0.00 C ATOM 896 CD2 LEU A 54 99.116 4.455 1.705 1.00 0.00 C ATOM 0 H LEU A 54 98.557 7.692 1.756 1.00 0.00 H new ATOM 0 HA LEU A 54 99.214 7.592 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 54 97.415 5.819 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 54 97.959 5.429 -0.968 1.00 0.00 H new ATOM 0 HG LEU A 54 100.013 4.765 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 54 101.391 5.927 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 54 100.780 7.051 0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 54 100.030 7.010 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.008 4.001 2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 54 98.614 5.060 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 54 98.441 3.672 1.361 1.00 0.00 H new ATOM 908 N PHE A 55 96.079 7.908 -0.086 1.00 0.00 N ATOM 909 CA PHE A 55 94.727 8.372 -0.462 1.00 0.00 C ATOM 910 C PHE A 55 94.834 9.586 -1.395 1.00 0.00 C ATOM 911 O PHE A 55 93.991 9.807 -2.240 1.00 0.00 O ATOM 912 CB PHE A 55 94.031 8.772 0.832 1.00 0.00 C ATOM 913 CG PHE A 55 92.994 7.745 1.212 1.00 0.00 C ATOM 914 CD1 PHE A 55 93.394 6.453 1.574 1.00 0.00 C ATOM 915 CD2 PHE A 55 91.637 8.088 1.222 1.00 0.00 C ATOM 916 CE1 PHE A 55 92.438 5.504 1.946 1.00 0.00 C ATOM 917 CE2 PHE A 55 90.680 7.136 1.591 1.00 0.00 C ATOM 918 CZ PHE A 55 91.079 5.844 1.955 1.00 0.00 C ATOM 0 H PHE A 55 96.155 7.564 0.871 1.00 0.00 H new ATOM 0 HA PHE A 55 94.172 7.593 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 55 94.765 8.870 1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 55 93.559 9.747 0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 55 94.441 6.190 1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.329 9.086 0.945 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.747 4.508 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.632 7.398 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.340 5.111 2.242 1.00 0.00 H new ATOM 928 N ARG A 56 95.871 10.373 -1.249 1.00 0.00 N ATOM 929 CA ARG A 56 96.036 11.567 -2.129 1.00 0.00 C ATOM 930 C ARG A 56 96.486 11.114 -3.520 1.00 0.00 C ATOM 931 O ARG A 56 95.905 11.487 -4.520 1.00 0.00 O ATOM 932 CB ARG A 56 97.090 12.502 -1.535 1.00 0.00 C ATOM 933 CG ARG A 56 96.721 13.952 -1.854 1.00 0.00 C ATOM 934 CD ARG A 56 97.592 14.462 -3.005 1.00 0.00 C ATOM 935 NE ARG A 56 97.904 15.904 -2.791 1.00 0.00 N ATOM 936 CZ ARG A 56 98.776 16.258 -1.884 1.00 0.00 C ATOM 937 NH1 ARG A 56 99.377 15.352 -1.162 1.00 0.00 N ATOM 938 NH2 ARG A 56 99.049 17.522 -1.702 1.00 0.00 N ATOM 0 H ARG A 56 96.609 10.239 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 56 95.085 12.095 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 56 97.152 12.360 -0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.073 12.267 -1.944 1.00 0.00 H new ATOM 0 HG2 ARG A 56 95.667 14.019 -2.125 1.00 0.00 H new ATOM 0 HG3 ARG A 56 96.864 14.577 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 56 98.514 13.884 -3.061 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.074 14.328 -3.954 1.00 0.00 H new ATOM 0 HE ARG A 56 97.436 16.615 -3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 56 99.167 14.364 -1.305 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.057 15.632 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 56 98.582 18.231 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 56 99.729 17.800 -0.995 1.00 0.00 H new ATOM 952 N ASN A 57 97.514 10.309 -3.593 1.00 0.00 N ATOM 953 CA ASN A 57 97.995 9.830 -4.923 1.00 0.00 C ATOM 954 C ASN A 57 96.792 9.441 -5.794 1.00 0.00 C ATOM 955 O ASN A 57 96.873 9.439 -7.000 1.00 0.00 O ATOM 956 CB ASN A 57 98.935 8.627 -4.731 1.00 0.00 C ATOM 957 CG ASN A 57 98.132 7.329 -4.622 1.00 0.00 C ATOM 958 OD1 ASN A 57 98.045 6.731 -3.467 1.00 0.00 O flip ATOM 959 ND2 ASN A 57 97.592 6.850 -5.599 1.00 0.00 N flip ATOM 0 H ASN A 57 98.040 9.963 -2.791 1.00 0.00 H new ATOM 0 HA ASN A 57 98.547 10.626 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.628 8.563 -5.570 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.535 8.767 -3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.661 7.320 -6.502 1.00 0.00 H new ATOM 0 HD22 ASN A 57 97.069 5.978 -5.517 1.00 0.00 H new ATOM 966 N TRP A 58 95.683 9.109 -5.187 1.00 0.00 N ATOM 967 CA TRP A 58 94.469 8.721 -5.969 1.00 0.00 C ATOM 968 C TRP A 58 94.284 9.640 -7.183 1.00 0.00 C ATOM 969 O TRP A 58 94.498 9.244 -8.310 1.00 0.00 O ATOM 970 CB TRP A 58 93.241 8.861 -5.072 1.00 0.00 C ATOM 971 CG TRP A 58 92.818 7.521 -4.579 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.549 7.178 -4.266 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.634 6.344 -4.335 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.536 5.863 -3.844 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.798 5.306 -3.867 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.006 6.079 -4.471 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.305 4.050 -3.546 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.521 4.815 -4.149 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.672 3.802 -3.687 1.00 0.00 C ATOM 0 H TRP A 58 95.564 9.090 -4.174 1.00 0.00 H new ATOM 0 HA TRP A 58 94.591 7.694 -6.314 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.468 9.513 -4.229 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.427 9.328 -5.626 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.687 7.825 -4.335 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.696 5.364 -3.551 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.669 6.854 -4.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.645 3.272 -3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.578 4.622 -4.258 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.074 2.830 -3.440 1.00 0.00 H new ATOM 990 N ALA A 59 93.852 10.854 -6.946 1.00 0.00 N ATOM 991 CA ALA A 59 93.608 11.820 -8.062 1.00 0.00 C ATOM 992 C ALA A 59 94.611 11.608 -9.199 1.00 0.00 C ATOM 993 O ALA A 59 94.291 11.028 -10.217 1.00 0.00 O ATOM 994 CB ALA A 59 93.739 13.249 -7.528 1.00 0.00 C ATOM 0 H ALA A 59 93.656 11.221 -6.015 1.00 0.00 H new ATOM 0 HA ALA A 59 92.604 11.654 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.562 13.957 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 59 93.006 13.411 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.742 13.398 -7.128 1.00 0.00 H new ATOM 1000 N ILE A 60 95.817 12.079 -9.036 1.00 0.00 N ATOM 1001 CA ILE A 60 96.841 11.911 -10.107 1.00 0.00 C ATOM 1002 C ILE A 60 96.739 10.507 -10.704 1.00 0.00 C ATOM 1003 O ILE A 60 96.856 10.314 -11.898 1.00 0.00 O ATOM 1004 CB ILE A 60 98.234 12.110 -9.502 1.00 0.00 C ATOM 1005 CG1 ILE A 60 98.247 13.378 -8.640 1.00 0.00 C ATOM 1006 CG2 ILE A 60 99.263 12.247 -10.624 1.00 0.00 C ATOM 1007 CD1 ILE A 60 97.518 14.510 -9.372 1.00 0.00 C ATOM 0 H ILE A 60 96.139 12.575 -8.205 1.00 0.00 H new ATOM 0 HA ILE A 60 96.671 12.646 -10.894 1.00 0.00 H new ATOM 0 HB ILE A 60 98.483 11.249 -8.882 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.765 13.183 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 60 99.274 13.673 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 60 100.254 12.389 -10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 60 99.258 11.344 -11.234 1.00 0.00 H new ATOM 0 HG23 ILE A 60 99.011 13.106 -11.246 1.00 0.00 H new ATOM 0 HD11 ILE A 60 97.530 15.409 -8.756 1.00 0.00 H new ATOM 0 HD12 ILE A 60 98.019 14.713 -10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 60 96.486 14.215 -9.563 1.00 0.00 H new ATOM 1019 N HIS A 61 96.526 9.530 -9.874 1.00 0.00 N ATOM 1020 CA HIS A 61 96.412 8.127 -10.360 1.00 0.00 C ATOM 1021 C HIS A 61 94.949 7.811 -10.681 1.00 0.00 C ATOM 1022 O HIS A 61 94.074 8.641 -10.528 1.00 0.00 O ATOM 1023 CB HIS A 61 96.908 7.180 -9.265 1.00 0.00 C ATOM 1024 CG HIS A 61 97.393 5.898 -9.885 1.00 0.00 C ATOM 1025 ND1 HIS A 61 98.507 5.850 -10.708 1.00 0.00 N ATOM 1026 CD2 HIS A 61 96.929 4.609 -9.805 1.00 0.00 C ATOM 1027 CE1 HIS A 61 98.674 4.570 -11.087 1.00 0.00 C ATOM 1028 NE2 HIS A 61 97.739 3.772 -10.565 1.00 0.00 N ATOM 0 H HIS A 61 96.424 9.643 -8.865 1.00 0.00 H new ATOM 0 HA HIS A 61 97.013 8.001 -11.261 1.00 0.00 H new ATOM 0 HB2 HIS A 61 97.714 7.650 -8.702 1.00 0.00 H new ATOM 0 HB3 HIS A 61 96.104 6.972 -8.559 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.066 4.293 -9.238 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.468 4.229 -11.735 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.640 2.765 -10.696 1.00 0.00 H new ATOM 1036 N THR A 62 94.677 6.612 -11.120 1.00 0.00 N ATOM 1037 CA THR A 62 93.273 6.227 -11.445 1.00 0.00 C ATOM 1038 C THR A 62 92.655 7.245 -12.410 1.00 0.00 C ATOM 1039 O THR A 62 91.451 7.304 -12.565 1.00 0.00 O ATOM 1040 CB THR A 62 92.442 6.180 -10.157 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.016 7.494 -9.824 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.288 5.611 -9.014 1.00 0.00 C ATOM 0 H THR A 62 95.370 5.879 -11.268 1.00 0.00 H new ATOM 0 HA THR A 62 93.277 5.244 -11.917 1.00 0.00 H new ATOM 0 HB THR A 62 91.573 5.541 -10.311 1.00 0.00 H new ATOM 0 HG1 THR A 62 92.795 8.041 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 62 92.693 5.580 -8.101 1.00 0.00 H new ATOM 0 HG22 THR A 62 93.614 4.603 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.161 6.245 -8.857 1.00 0.00 H new ATOM 1050 N GLY A 63 93.465 8.042 -13.064 1.00 0.00 N ATOM 1051 CA GLY A 63 92.919 9.053 -14.020 1.00 0.00 C ATOM 1052 C GLY A 63 91.638 9.662 -13.447 1.00 0.00 C ATOM 1053 O GLY A 63 90.617 9.719 -14.104 1.00 0.00 O ATOM 0 H GLY A 63 94.481 8.035 -12.976 1.00 0.00 H new ATOM 0 HA2 GLY A 63 93.657 9.835 -14.199 1.00 0.00 H new ATOM 0 HA3 GLY A 63 92.712 8.584 -14.982 1.00 0.00 H new ATOM 1057 N LYS A 64 91.679 10.104 -12.221 1.00 0.00 N ATOM 1058 CA LYS A 64 90.463 10.692 -11.600 1.00 0.00 C ATOM 1059 C LYS A 64 90.598 12.214 -11.519 1.00 0.00 C ATOM 1060 O LYS A 64 89.694 12.902 -11.089 1.00 0.00 O ATOM 1061 CB LYS A 64 90.298 10.118 -10.194 1.00 0.00 C ATOM 1062 CG LYS A 64 88.964 10.576 -9.609 1.00 0.00 C ATOM 1063 CD LYS A 64 88.334 9.426 -8.824 1.00 0.00 C ATOM 1064 CE LYS A 64 87.982 8.288 -9.783 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.564 8.428 -10.220 1.00 0.00 N ATOM 0 H LYS A 64 92.505 10.083 -11.622 1.00 0.00 H new ATOM 0 HA LYS A 64 89.591 10.448 -12.207 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.338 9.029 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 64 91.119 10.447 -9.557 1.00 0.00 H new ATOM 0 HG2 LYS A 64 89.116 11.436 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 64 88.295 10.896 -10.407 1.00 0.00 H new ATOM 0 HD2 LYS A 64 89.025 9.071 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.438 9.771 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 64 88.644 8.309 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.129 7.326 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 86.324 7.654 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 85.939 8.387 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.438 9.340 -10.704 1.00 0.00 H new ATOM 1079 N HIS A 65 91.715 12.749 -11.927 1.00 0.00 N ATOM 1080 CA HIS A 65 91.891 14.226 -11.864 1.00 0.00 C ATOM 1081 C HIS A 65 93.291 14.598 -12.363 1.00 0.00 C ATOM 1082 O HIS A 65 94.190 13.782 -12.397 1.00 0.00 O ATOM 1083 CB HIS A 65 91.704 14.695 -10.410 1.00 0.00 C ATOM 1084 CG HIS A 65 92.455 15.982 -10.166 1.00 0.00 C ATOM 1085 ND1 HIS A 65 93.769 16.230 -9.851 1.00 0.00 N flip ATOM 1086 CD2 HIS A 65 91.844 17.224 -10.243 1.00 0.00 C flip ATOM 1087 CE1 HIS A 65 93.972 17.601 -9.733 1.00 0.00 C flip ATOM 1088 NE2 HIS A 65 92.782 18.154 -9.979 1.00 0.00 N flip ATOM 0 H HIS A 65 92.510 12.230 -12.300 1.00 0.00 H new ATOM 0 HA HIS A 65 91.151 14.714 -12.497 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.644 14.841 -10.203 1.00 0.00 H new ATOM 0 HB3 HIS A 65 92.059 13.925 -9.725 1.00 0.00 H new ATOM 0 HD2 HIS A 65 90.806 17.412 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 65 94.894 18.109 -9.494 1.00 0.00 H new ATOM 0 HE2 HIS A 65 92.605 19.158 -9.968 1.00 0.00 H new ATOM 1096 N GLN A 66 93.477 15.833 -12.739 1.00 0.00 N ATOM 1097 CA GLN A 66 94.812 16.275 -13.225 1.00 0.00 C ATOM 1098 C GLN A 66 95.141 17.639 -12.603 1.00 0.00 C ATOM 1099 O GLN A 66 94.313 18.528 -12.608 1.00 0.00 O ATOM 1100 CB GLN A 66 94.782 16.407 -14.749 1.00 0.00 C ATOM 1101 CG GLN A 66 94.354 15.076 -15.369 1.00 0.00 C ATOM 1102 CD GLN A 66 93.625 15.339 -16.688 1.00 0.00 C ATOM 1103 OE1 GLN A 66 92.515 15.834 -16.694 1.00 0.00 O ATOM 1104 NE2 GLN A 66 94.206 15.028 -17.814 1.00 0.00 N ATOM 0 H GLN A 66 92.758 16.557 -12.730 1.00 0.00 H new ATOM 0 HA GLN A 66 95.569 15.544 -12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 66 94.090 17.196 -15.043 1.00 0.00 H new ATOM 0 HB3 GLN A 66 95.767 16.693 -15.119 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.227 14.446 -15.543 1.00 0.00 H new ATOM 0 HG3 GLN A 66 93.702 14.536 -14.682 1.00 0.00 H new ATOM 0 HE21 GLN A 66 95.138 14.613 -17.810 1.00 0.00 H new ATOM 0 HE22 GLN A 66 93.729 15.200 -18.699 1.00 0.00 H new ATOM 1113 N PRO A 67 96.334 17.765 -12.081 1.00 0.00 N ATOM 1114 CA PRO A 67 96.786 19.014 -11.446 1.00 0.00 C ATOM 1115 C PRO A 67 97.179 20.042 -12.512 1.00 0.00 C ATOM 1116 O PRO A 67 97.872 19.733 -13.462 1.00 0.00 O ATOM 1117 CB PRO A 67 98.002 18.579 -10.623 1.00 0.00 C ATOM 1118 CG PRO A 67 98.514 17.265 -11.260 1.00 0.00 C ATOM 1119 CD PRO A 67 97.341 16.684 -12.074 1.00 0.00 C ATOM 0 HA PRO A 67 96.018 19.491 -10.837 1.00 0.00 H new ATOM 0 HB2 PRO A 67 98.776 19.346 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO A 67 97.729 18.424 -9.579 1.00 0.00 H new ATOM 0 HG2 PRO A 67 99.374 17.455 -11.902 1.00 0.00 H new ATOM 0 HG3 PRO A 67 98.838 16.563 -10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 67 97.650 16.421 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 67 96.948 15.777 -11.615 1.00 0.00 H new ATOM 1127 N GLY A 68 96.737 21.261 -12.364 1.00 0.00 N ATOM 1128 CA GLY A 68 97.079 22.307 -13.370 1.00 0.00 C ATOM 1129 C GLY A 68 96.035 22.297 -14.487 1.00 0.00 C ATOM 1130 O GLY A 68 96.187 22.952 -15.499 1.00 0.00 O ATOM 0 H GLY A 68 96.154 21.578 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 68 97.110 23.288 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 68 98.071 22.121 -13.782 1.00 0.00 H new ATOM 1134 N ILE A 69 94.975 21.556 -14.314 1.00 0.00 N ATOM 1135 CA ILE A 69 93.924 21.499 -15.367 1.00 0.00 C ATOM 1136 C ILE A 69 92.547 21.667 -14.720 1.00 0.00 C ATOM 1137 O ILE A 69 91.715 22.414 -15.196 1.00 0.00 O ATOM 1138 CB ILE A 69 94.001 20.148 -16.085 1.00 0.00 C ATOM 1139 CG1 ILE A 69 95.242 20.122 -16.981 1.00 0.00 C ATOM 1140 CG2 ILE A 69 92.752 19.947 -16.947 1.00 0.00 C ATOM 1141 CD1 ILE A 69 96.338 19.285 -16.317 1.00 0.00 C ATOM 0 H ILE A 69 94.792 20.987 -13.487 1.00 0.00 H new ATOM 0 HA ILE A 69 94.081 22.300 -16.089 1.00 0.00 H new ATOM 0 HB ILE A 69 94.061 19.350 -15.345 1.00 0.00 H new ATOM 0 HG12 ILE A 69 94.991 19.703 -17.955 1.00 0.00 H new ATOM 0 HG13 ILE A 69 95.600 21.137 -17.153 1.00 0.00 H new ATOM 0 HG21 ILE A 69 92.812 18.985 -17.455 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.865 19.968 -16.313 1.00 0.00 H new ATOM 0 HG23 ILE A 69 92.688 20.745 -17.687 1.00 0.00 H new ATOM 0 HD11 ILE A 69 97.220 19.268 -16.957 1.00 0.00 H new ATOM 0 HD12 ILE A 69 96.597 19.723 -15.353 1.00 0.00 H new ATOM 0 HD13 ILE A 69 95.978 18.267 -16.168 1.00 0.00 H new ATOM 1153 N ASP A 70 92.296 20.980 -13.638 1.00 0.00 N ATOM 1154 CA ASP A 70 90.971 21.103 -12.967 1.00 0.00 C ATOM 1155 C ASP A 70 91.173 21.262 -11.457 1.00 0.00 C ATOM 1156 O ASP A 70 92.273 21.145 -10.954 1.00 0.00 O ATOM 1157 CB ASP A 70 90.144 19.846 -13.241 1.00 0.00 C ATOM 1158 CG ASP A 70 89.172 20.115 -14.391 1.00 0.00 C ATOM 1159 OD1 ASP A 70 89.112 21.250 -14.836 1.00 0.00 O ATOM 1160 OD2 ASP A 70 88.504 19.183 -14.806 1.00 0.00 O ATOM 0 H ASP A 70 92.951 20.339 -13.190 1.00 0.00 H new ATOM 0 HA ASP A 70 90.447 21.976 -13.356 1.00 0.00 H new ATOM 0 HB2 ASP A 70 90.801 19.014 -13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 70 89.594 19.558 -12.345 1.00 0.00 H new ATOM 1165 N LYS A 71 90.121 21.526 -10.730 1.00 0.00 N ATOM 1166 CA LYS A 71 90.256 21.691 -9.254 1.00 0.00 C ATOM 1167 C LYS A 71 90.403 20.315 -8.597 1.00 0.00 C ATOM 1168 O LYS A 71 89.940 19.323 -9.126 1.00 0.00 O ATOM 1169 CB LYS A 71 89.015 22.394 -8.699 1.00 0.00 C ATOM 1170 CG LYS A 71 87.757 21.640 -9.134 1.00 0.00 C ATOM 1171 CD LYS A 71 87.065 22.409 -10.263 1.00 0.00 C ATOM 1172 CE LYS A 71 85.604 22.657 -9.889 1.00 0.00 C ATOM 1173 NZ LYS A 71 85.525 23.772 -8.904 1.00 0.00 N ATOM 0 H LYS A 71 89.174 21.635 -11.094 1.00 0.00 H new ATOM 0 HA LYS A 71 91.138 22.293 -9.037 1.00 0.00 H new ATOM 0 HB2 LYS A 71 89.066 22.438 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.977 23.422 -9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 71 88.019 20.637 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 71 87.078 21.525 -8.289 1.00 0.00 H new ATOM 0 HD2 LYS A 71 87.573 23.358 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 71 87.123 21.842 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.026 22.903 -10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.167 21.752 -9.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 84.531 23.941 -8.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.063 23.520 -8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.926 24.635 -9.324 1.00 0.00 H new ATOM 1187 N PRO A 72 91.050 20.299 -7.459 1.00 0.00 N ATOM 1188 CA PRO A 72 91.285 19.061 -6.693 1.00 0.00 C ATOM 1189 C PRO A 72 90.022 18.649 -5.929 1.00 0.00 C ATOM 1190 O PRO A 72 89.393 19.452 -5.271 1.00 0.00 O ATOM 1191 CB PRO A 72 92.408 19.447 -5.727 1.00 0.00 C ATOM 1192 CG PRO A 72 92.362 20.989 -5.595 1.00 0.00 C ATOM 1193 CD PRO A 72 91.607 21.516 -6.830 1.00 0.00 C ATOM 0 HA PRO A 72 91.543 18.210 -7.324 1.00 0.00 H new ATOM 0 HB2 PRO A 72 92.267 18.970 -4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.376 19.119 -6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 72 91.855 21.284 -4.676 1.00 0.00 H new ATOM 0 HG3 PRO A 72 93.369 21.404 -5.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 90.820 22.215 -6.548 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.275 22.046 -7.509 1.00 0.00 H new ATOM 1201 N ASP A 73 89.651 17.400 -6.013 1.00 0.00 N ATOM 1202 CA ASP A 73 88.433 16.930 -5.291 1.00 0.00 C ATOM 1203 C ASP A 73 88.827 15.845 -4.284 1.00 0.00 C ATOM 1204 O ASP A 73 88.966 14.693 -4.641 1.00 0.00 O ATOM 1205 CB ASP A 73 87.440 16.349 -6.299 1.00 0.00 C ATOM 1206 CG ASP A 73 87.063 17.420 -7.324 1.00 0.00 C ATOM 1207 OD1 ASP A 73 87.334 18.581 -7.067 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.506 17.060 -8.349 1.00 0.00 O ATOM 0 H ASP A 73 90.139 16.684 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 73 87.973 17.767 -4.765 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.879 15.488 -6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.548 15.995 -5.783 1.00 0.00 H new ATOM 1213 N PRO A 74 89.000 16.248 -3.049 1.00 0.00 N ATOM 1214 CA PRO A 74 89.385 15.331 -1.961 1.00 0.00 C ATOM 1215 C PRO A 74 88.174 14.530 -1.469 1.00 0.00 C ATOM 1216 O PRO A 74 88.246 13.828 -0.480 1.00 0.00 O ATOM 1217 CB PRO A 74 89.895 16.271 -0.867 1.00 0.00 C ATOM 1218 CG PRO A 74 89.256 17.653 -1.145 1.00 0.00 C ATOM 1219 CD PRO A 74 88.830 17.653 -2.624 1.00 0.00 C ATOM 0 HA PRO A 74 90.126 14.594 -2.269 1.00 0.00 H new ATOM 0 HB2 PRO A 74 89.615 15.905 0.121 1.00 0.00 H new ATOM 0 HB3 PRO A 74 90.983 16.335 -0.886 1.00 0.00 H new ATOM 0 HG2 PRO A 74 88.397 17.820 -0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 74 89.967 18.455 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 74 87.798 17.983 -2.741 1.00 0.00 H new ATOM 0 HD3 PRO A 74 89.449 18.326 -3.217 1.00 0.00 H new ATOM 1227 N LYS A 75 87.063 14.627 -2.148 1.00 0.00 N ATOM 1228 CA LYS A 75 85.858 13.867 -1.712 1.00 0.00 C ATOM 1229 C LYS A 75 85.880 12.470 -2.335 1.00 0.00 C ATOM 1230 O LYS A 75 85.702 11.475 -1.659 1.00 0.00 O ATOM 1231 CB LYS A 75 84.596 14.607 -2.160 1.00 0.00 C ATOM 1232 CG LYS A 75 83.433 14.245 -1.234 1.00 0.00 C ATOM 1233 CD LYS A 75 82.428 13.374 -1.990 1.00 0.00 C ATOM 1234 CE LYS A 75 81.123 14.150 -2.177 1.00 0.00 C ATOM 1235 NZ LYS A 75 81.405 15.424 -2.898 1.00 0.00 N ATOM 0 H LYS A 75 86.938 15.198 -2.984 1.00 0.00 H new ATOM 0 HA LYS A 75 85.860 13.779 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 75 84.767 15.683 -2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 75 84.352 14.341 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 75 83.804 13.713 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 75 82.946 15.151 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 75 82.836 13.087 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 75 82.240 12.453 -1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 80.408 13.551 -2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 75 80.670 14.360 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 80.586 15.678 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 81.584 16.181 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 82.242 15.302 -3.503 1.00 0.00 H new ATOM 1249 N THR A 76 86.097 12.384 -3.619 1.00 0.00 N ATOM 1250 CA THR A 76 86.132 11.049 -4.282 1.00 0.00 C ATOM 1251 C THR A 76 87.480 10.384 -4.006 1.00 0.00 C ATOM 1252 O THR A 76 87.636 9.187 -4.152 1.00 0.00 O ATOM 1253 CB THR A 76 85.944 11.219 -5.791 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.254 12.434 -6.047 1.00 0.00 O ATOM 1255 CG2 THR A 76 85.134 10.043 -6.342 1.00 0.00 C ATOM 0 H THR A 76 86.252 13.180 -4.238 1.00 0.00 H new ATOM 0 HA THR A 76 85.329 10.426 -3.888 1.00 0.00 H new ATOM 0 HB THR A 76 86.919 11.245 -6.278 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.134 12.545 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 76 85.001 10.165 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 76 85.665 9.112 -6.146 1.00 0.00 H new ATOM 0 HG23 THR A 76 84.159 10.014 -5.856 1.00 0.00 H new ATOM 1263 N TRP A 77 88.455 11.150 -3.601 1.00 0.00 N ATOM 1264 CA TRP A 77 89.794 10.566 -3.308 1.00 0.00 C ATOM 1265 C TRP A 77 89.688 9.625 -2.106 1.00 0.00 C ATOM 1266 O TRP A 77 90.615 8.911 -1.781 1.00 0.00 O ATOM 1267 CB TRP A 77 90.776 11.690 -2.974 1.00 0.00 C ATOM 1268 CG TRP A 77 91.005 12.539 -4.183 1.00 0.00 C ATOM 1269 CD1 TRP A 77 90.508 12.286 -5.417 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.776 13.769 -4.295 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.929 13.284 -6.279 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.712 14.220 -5.634 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.520 14.529 -3.375 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 92.362 15.384 -6.046 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.175 15.701 -3.785 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.096 16.128 -5.118 1.00 0.00 C ATOM 0 H TRP A 77 88.382 12.158 -3.460 1.00 0.00 H new ATOM 0 HA TRP A 77 90.146 10.013 -4.179 1.00 0.00 H new ATOM 0 HB2 TRP A 77 90.383 12.299 -2.160 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.721 11.269 -2.630 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.886 11.445 -5.684 1.00 0.00 H new ATOM 0 HE1 TRP A 77 90.690 13.323 -7.270 1.00 0.00 H new ATOM 0 HE3 TRP A 77 92.588 14.209 -2.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 92.298 15.708 -7.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 93.743 16.277 -3.069 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.602 17.031 -5.427 1.00 0.00 H new ATOM 1287 N LYS A 78 88.569 9.629 -1.434 1.00 0.00 N ATOM 1288 CA LYS A 78 88.411 8.746 -0.243 1.00 0.00 C ATOM 1289 C LYS A 78 87.353 7.671 -0.520 1.00 0.00 C ATOM 1290 O LYS A 78 87.345 6.625 0.099 1.00 0.00 O ATOM 1291 CB LYS A 78 87.975 9.598 0.952 1.00 0.00 C ATOM 1292 CG LYS A 78 87.669 8.696 2.149 1.00 0.00 C ATOM 1293 CD LYS A 78 86.228 8.931 2.607 1.00 0.00 C ATOM 1294 CE LYS A 78 85.736 7.712 3.389 1.00 0.00 C ATOM 1295 NZ LYS A 78 84.530 7.146 2.722 1.00 0.00 N ATOM 0 H LYS A 78 87.758 10.205 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 78 89.360 8.257 -0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.762 10.307 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 78 87.093 10.182 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 78 87.809 7.650 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 78 88.361 8.908 2.964 1.00 0.00 H new ATOM 0 HD2 LYS A 78 86.175 9.823 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 78 85.585 9.107 1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 78 86.522 6.959 3.442 1.00 0.00 H new ATOM 0 HE3 LYS A 78 85.498 7.996 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 84.196 6.317 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 83.779 7.865 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 84.772 6.860 1.752 1.00 0.00 H new ATOM 1309 N ALA A 79 86.459 7.917 -1.438 1.00 0.00 N ATOM 1310 CA ALA A 79 85.403 6.906 -1.740 1.00 0.00 C ATOM 1311 C ALA A 79 85.965 5.819 -2.661 1.00 0.00 C ATOM 1312 O ALA A 79 85.676 4.650 -2.505 1.00 0.00 O ATOM 1313 CB ALA A 79 84.224 7.590 -2.433 1.00 0.00 C ATOM 0 H ALA A 79 86.413 8.772 -1.992 1.00 0.00 H new ATOM 0 HA ALA A 79 85.071 6.452 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.453 6.851 -2.653 1.00 0.00 H new ATOM 0 HB2 ALA A 79 83.813 8.359 -1.778 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.564 8.048 -3.362 1.00 0.00 H new ATOM 1319 N ASN A 80 86.757 6.193 -3.628 1.00 0.00 N ATOM 1320 CA ASN A 80 87.322 5.175 -4.561 1.00 0.00 C ATOM 1321 C ASN A 80 88.452 4.406 -3.874 1.00 0.00 C ATOM 1322 O ASN A 80 89.049 3.521 -4.452 1.00 0.00 O ATOM 1323 CB ASN A 80 87.863 5.874 -5.811 1.00 0.00 C ATOM 1324 CG ASN A 80 87.069 5.416 -7.036 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.614 5.287 -8.114 1.00 0.00 O ATOM 1326 ND2 ASN A 80 85.793 5.164 -6.917 1.00 0.00 N ATOM 0 H ASN A 80 87.037 7.156 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 80 86.537 4.475 -4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 80 87.786 6.955 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.920 5.642 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 80 85.255 4.859 -7.729 1.00 0.00 H new ATOM 0 HD22 ASN A 80 85.334 5.272 -6.012 1.00 0.00 H new ATOM 1333 N PHE A 81 88.750 4.728 -2.646 1.00 0.00 N ATOM 1334 CA PHE A 81 89.841 4.001 -1.935 1.00 0.00 C ATOM 1335 C PHE A 81 89.254 2.790 -1.211 1.00 0.00 C ATOM 1336 O PHE A 81 89.688 1.672 -1.400 1.00 0.00 O ATOM 1337 CB PHE A 81 90.507 4.935 -0.924 1.00 0.00 C ATOM 1338 CG PHE A 81 91.861 4.384 -0.545 1.00 0.00 C ATOM 1339 CD1 PHE A 81 91.954 3.170 0.146 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.023 5.090 -0.881 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.210 2.662 0.502 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.278 4.582 -0.525 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.372 3.368 0.166 1.00 0.00 C ATOM 0 H PHE A 81 88.288 5.459 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 81 90.586 3.666 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.615 5.932 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 81 89.881 5.034 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.058 2.625 0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 81 92.951 6.026 -1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 81 93.282 1.726 1.036 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.174 5.127 -0.783 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.340 2.976 0.440 1.00 0.00 H new ATOM 1353 N ARG A 82 88.264 3.000 -0.388 1.00 0.00 N ATOM 1354 CA ARG A 82 87.650 1.854 0.337 1.00 0.00 C ATOM 1355 C ARG A 82 87.026 0.897 -0.681 1.00 0.00 C ATOM 1356 O ARG A 82 86.766 -0.254 -0.393 1.00 0.00 O ATOM 1357 CB ARG A 82 86.568 2.374 1.287 1.00 0.00 C ATOM 1358 CG ARG A 82 85.722 1.204 1.792 1.00 0.00 C ATOM 1359 CD ARG A 82 84.348 1.242 1.122 1.00 0.00 C ATOM 1360 NE ARG A 82 83.285 1.227 2.168 1.00 0.00 N ATOM 1361 CZ ARG A 82 83.118 2.259 2.950 1.00 0.00 C ATOM 1362 NH1 ARG A 82 83.880 3.311 2.821 1.00 0.00 N ATOM 1363 NH2 ARG A 82 82.187 2.239 3.865 1.00 0.00 N ATOM 0 H ARG A 82 87.855 3.913 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 82 88.411 1.329 0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 82 87.027 2.893 2.128 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.936 3.098 0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.220 0.260 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.612 1.261 2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 82 84.256 2.137 0.507 1.00 0.00 H new ATOM 0 HD3 ARG A 82 84.232 0.386 0.458 1.00 0.00 H new ATOM 0 HE ARG A 82 82.686 0.408 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 82 84.609 3.329 2.107 1.00 0.00 H new ATOM 0 HH12 ARG A 82 83.747 4.116 3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 82 81.591 1.418 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 82 82.056 3.045 4.477 1.00 0.00 H new ATOM 1377 N CYS A 83 86.790 1.369 -1.876 1.00 0.00 N ATOM 1378 CA CYS A 83 86.190 0.494 -2.921 1.00 0.00 C ATOM 1379 C CYS A 83 87.183 -0.606 -3.294 1.00 0.00 C ATOM 1380 O CYS A 83 86.810 -1.740 -3.515 1.00 0.00 O ATOM 1381 CB CYS A 83 85.864 1.330 -4.160 1.00 0.00 C ATOM 1382 SG CYS A 83 84.344 2.270 -3.870 1.00 0.00 S ATOM 0 H CYS A 83 86.988 2.325 -2.173 1.00 0.00 H new ATOM 0 HA CYS A 83 85.275 0.043 -2.537 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.688 2.009 -4.381 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.744 0.682 -5.028 1.00 0.00 H new ATOM 0 HG CYS A 83 84.634 3.395 -3.287 1.00 0.00 H new ATOM 1388 N ALA A 84 88.446 -0.282 -3.364 1.00 0.00 N ATOM 1389 CA ALA A 84 89.466 -1.310 -3.719 1.00 0.00 C ATOM 1390 C ALA A 84 89.326 -2.504 -2.781 1.00 0.00 C ATOM 1391 O ALA A 84 89.321 -3.640 -3.203 1.00 0.00 O ATOM 1392 CB ALA A 84 90.865 -0.709 -3.577 1.00 0.00 C ATOM 0 H ALA A 84 88.816 0.652 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 84 89.315 -1.636 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.612 -1.460 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 84 90.963 0.146 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 84 91.019 -0.385 -2.548 1.00 0.00 H new ATOM 1398 N MET A 85 89.210 -2.261 -1.512 1.00 0.00 N ATOM 1399 CA MET A 85 89.070 -3.391 -0.559 1.00 0.00 C ATOM 1400 C MET A 85 87.748 -4.106 -0.828 1.00 0.00 C ATOM 1401 O MET A 85 87.621 -5.298 -0.627 1.00 0.00 O ATOM 1402 CB MET A 85 89.101 -2.850 0.867 1.00 0.00 C ATOM 1403 CG MET A 85 90.556 -2.682 1.314 1.00 0.00 C ATOM 1404 SD MET A 85 91.503 -1.803 0.042 1.00 0.00 S ATOM 1405 CE MET A 85 90.983 -0.129 0.484 1.00 0.00 C ATOM 0 H MET A 85 89.206 -1.331 -1.092 1.00 0.00 H new ATOM 0 HA MET A 85 89.890 -4.098 -0.686 1.00 0.00 H new ATOM 0 HB2 MET A 85 88.581 -1.893 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.579 -3.532 1.538 1.00 0.00 H new ATOM 0 HG2 MET A 85 90.594 -2.130 2.253 1.00 0.00 H new ATOM 0 HG3 MET A 85 91.002 -3.659 1.500 1.00 0.00 H new ATOM 0 HE1 MET A 85 90.691 0.411 -0.417 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.135 -0.180 1.167 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.809 0.393 0.968 1.00 0.00 H new ATOM 1415 N ASN A 86 86.770 -3.388 -1.303 1.00 0.00 N ATOM 1416 CA ASN A 86 85.460 -4.023 -1.613 1.00 0.00 C ATOM 1417 C ASN A 86 85.531 -4.636 -3.015 1.00 0.00 C ATOM 1418 O ASN A 86 84.650 -5.360 -3.435 1.00 0.00 O ATOM 1419 CB ASN A 86 84.358 -2.962 -1.574 1.00 0.00 C ATOM 1420 CG ASN A 86 83.904 -2.744 -0.130 1.00 0.00 C ATOM 1421 OD1 ASN A 86 82.769 -3.017 0.211 1.00 0.00 O ATOM 1422 ND2 ASN A 86 84.746 -2.260 0.742 1.00 0.00 N ATOM 0 H ASN A 86 86.822 -2.387 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 86 85.238 -4.798 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 86 84.726 -2.026 -1.995 1.00 0.00 H new ATOM 0 HB3 ASN A 86 83.514 -3.278 -2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 86 84.452 -2.111 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 86 85.698 -2.030 0.458 1.00 0.00 H new ATOM 1429 N SER A 87 86.580 -4.345 -3.742 1.00 0.00 N ATOM 1430 CA SER A 87 86.721 -4.899 -5.118 1.00 0.00 C ATOM 1431 C SER A 87 87.650 -6.111 -5.095 1.00 0.00 C ATOM 1432 O SER A 87 87.706 -6.824 -4.118 1.00 0.00 O ATOM 1433 CB SER A 87 87.297 -3.824 -6.043 1.00 0.00 C ATOM 1434 OG SER A 87 86.745 -3.980 -7.343 1.00 0.00 O ATOM 0 H SER A 87 87.347 -3.745 -3.438 1.00 0.00 H new ATOM 0 HA SER A 87 85.742 -5.207 -5.486 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.067 -2.832 -5.654 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.383 -3.907 -6.084 1.00 0.00 H new ATOM 0 HG SER A 87 87.110 -3.292 -7.938 1.00 0.00 H new ATOM 1440 N LEU A 88 88.361 -6.343 -6.178 1.00 0.00 N ATOM 1441 CA LEU A 88 89.291 -7.517 -6.276 1.00 0.00 C ATOM 1442 C LEU A 88 88.758 -8.687 -5.432 1.00 0.00 C ATOM 1443 O LEU A 88 88.912 -8.705 -4.224 1.00 0.00 O ATOM 1444 CB LEU A 88 90.708 -7.148 -5.805 1.00 0.00 C ATOM 1445 CG LEU A 88 90.896 -5.631 -5.725 1.00 0.00 C ATOM 1446 CD1 LEU A 88 91.003 -5.221 -4.257 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.187 -5.244 -6.450 1.00 0.00 C ATOM 0 H LEU A 88 88.334 -5.757 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 88 89.342 -7.814 -7.323 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.894 -7.591 -4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.442 -7.571 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 88 90.049 -5.128 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 88 91.137 -4.141 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 88 90.092 -5.507 -3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.857 -5.722 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.325 -4.164 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.033 -5.742 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.123 -5.550 -7.494 1.00 0.00 H new ATOM 1459 N PRO A 89 88.146 -9.642 -6.092 1.00 0.00 N ATOM 1460 CA PRO A 89 87.563 -10.824 -5.421 1.00 0.00 C ATOM 1461 C PRO A 89 88.638 -11.782 -4.887 1.00 0.00 C ATOM 1462 O PRO A 89 88.347 -12.905 -4.527 1.00 0.00 O ATOM 1463 CB PRO A 89 86.719 -11.481 -6.519 1.00 0.00 C ATOM 1464 CG PRO A 89 87.285 -10.977 -7.865 1.00 0.00 C ATOM 1465 CD PRO A 89 87.995 -9.645 -7.563 1.00 0.00 C ATOM 0 HA PRO A 89 86.981 -10.553 -4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.777 -12.568 -6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.668 -11.212 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.980 -11.701 -8.290 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.487 -10.836 -8.594 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.962 -9.586 -8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.407 -8.793 -7.905 1.00 0.00 H new ATOM 1473 N ASP A 90 89.870 -11.352 -4.808 1.00 0.00 N ATOM 1474 CA ASP A 90 90.931 -12.243 -4.271 1.00 0.00 C ATOM 1475 C ASP A 90 91.446 -11.662 -2.950 1.00 0.00 C ATOM 1476 O ASP A 90 92.430 -12.118 -2.403 1.00 0.00 O ATOM 1477 CB ASP A 90 92.084 -12.332 -5.273 1.00 0.00 C ATOM 1478 CG ASP A 90 92.333 -10.953 -5.888 1.00 0.00 C ATOM 1479 OD1 ASP A 90 92.382 -9.993 -5.138 1.00 0.00 O ATOM 1480 OD2 ASP A 90 92.467 -10.883 -7.099 1.00 0.00 O ATOM 0 H ASP A 90 90.183 -10.424 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 90 90.524 -13.240 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.986 -12.688 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 90 91.846 -13.053 -6.055 1.00 0.00 H new ATOM 1485 N ILE A 91 90.791 -10.652 -2.435 1.00 0.00 N ATOM 1486 CA ILE A 91 91.250 -10.041 -1.151 1.00 0.00 C ATOM 1487 C ILE A 91 90.199 -10.287 -0.063 1.00 0.00 C ATOM 1488 O ILE A 91 89.013 -10.341 -0.323 1.00 0.00 O ATOM 1489 CB ILE A 91 91.501 -8.524 -1.358 1.00 0.00 C ATOM 1490 CG1 ILE A 91 91.036 -7.692 -0.151 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.758 -8.039 -2.595 1.00 0.00 C ATOM 1492 CD1 ILE A 91 90.985 -6.205 -0.535 1.00 0.00 C ATOM 0 H ILE A 91 89.961 -10.225 -2.847 1.00 0.00 H new ATOM 0 HA ILE A 91 92.186 -10.501 -0.833 1.00 0.00 H new ATOM 0 HB ILE A 91 92.576 -8.391 -1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 91 90.052 -8.027 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 91 91.717 -7.838 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.939 -6.973 -2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.113 -8.584 -3.470 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.689 -8.212 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 91 90.655 -5.619 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 91 91.977 -5.874 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 91 90.286 -6.066 -1.360 1.00 0.00 H new ATOM 1504 N GLU A 92 90.638 -10.430 1.155 1.00 0.00 N ATOM 1505 CA GLU A 92 89.686 -10.667 2.280 1.00 0.00 C ATOM 1506 C GLU A 92 90.029 -9.711 3.420 1.00 0.00 C ATOM 1507 O GLU A 92 91.150 -9.655 3.870 1.00 0.00 O ATOM 1508 CB GLU A 92 89.815 -12.112 2.765 1.00 0.00 C ATOM 1509 CG GLU A 92 88.471 -12.590 3.321 1.00 0.00 C ATOM 1510 CD GLU A 92 88.707 -13.713 4.333 1.00 0.00 C ATOM 1511 OE1 GLU A 92 89.178 -13.414 5.420 1.00 0.00 O ATOM 1512 OE2 GLU A 92 88.416 -14.852 4.006 1.00 0.00 O ATOM 0 H GLU A 92 91.621 -10.393 1.424 1.00 0.00 H new ATOM 0 HA GLU A 92 88.663 -10.494 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 92 90.129 -12.755 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.583 -12.180 3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 92 87.947 -11.761 3.797 1.00 0.00 H new ATOM 0 HG3 GLU A 92 87.835 -12.945 2.510 1.00 0.00 H new ATOM 1519 N GLU A 93 89.081 -8.944 3.879 1.00 0.00 N ATOM 1520 CA GLU A 93 89.378 -7.978 4.974 1.00 0.00 C ATOM 1521 C GLU A 93 89.467 -8.695 6.324 1.00 0.00 C ATOM 1522 O GLU A 93 88.666 -9.551 6.645 1.00 0.00 O ATOM 1523 CB GLU A 93 88.278 -6.916 5.027 1.00 0.00 C ATOM 1524 CG GLU A 93 87.049 -7.465 5.757 1.00 0.00 C ATOM 1525 CD GLU A 93 85.956 -6.396 5.795 1.00 0.00 C ATOM 1526 OE1 GLU A 93 85.430 -6.078 4.741 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.665 -5.912 6.876 1.00 0.00 O ATOM 0 H GLU A 93 88.117 -8.943 3.546 1.00 0.00 H new ATOM 0 HA GLU A 93 90.339 -7.506 4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.646 -6.026 5.537 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.005 -6.614 4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.681 -8.358 5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.318 -7.761 6.771 1.00 0.00 H new ATOM 1534 N VAL A 94 90.437 -8.333 7.118 1.00 0.00 N ATOM 1535 CA VAL A 94 90.592 -8.961 8.457 1.00 0.00 C ATOM 1536 C VAL A 94 90.999 -7.884 9.464 1.00 0.00 C ATOM 1537 O VAL A 94 92.167 -7.671 9.729 1.00 0.00 O ATOM 1538 CB VAL A 94 91.670 -10.047 8.400 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.857 -10.655 9.790 1.00 0.00 C ATOM 1540 CG2 VAL A 94 91.236 -11.141 7.422 1.00 0.00 C ATOM 0 H VAL A 94 91.134 -7.623 6.893 1.00 0.00 H new ATOM 0 HA VAL A 94 89.649 -9.415 8.761 1.00 0.00 H new ATOM 0 HB VAL A 94 92.610 -9.609 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 94 92.624 -11.428 9.749 1.00 0.00 H new ATOM 0 HG12 VAL A 94 92.163 -9.877 10.489 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.917 -11.094 10.124 1.00 0.00 H new ATOM 0 HG21 VAL A 94 92.002 -11.916 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 94 90.296 -11.578 7.759 1.00 0.00 H new ATOM 0 HG23 VAL A 94 91.101 -10.710 6.430 1.00 0.00 H new ATOM 1550 N LYS A 95 90.039 -7.194 10.020 1.00 0.00 N ATOM 1551 CA LYS A 95 90.355 -6.121 11.007 1.00 0.00 C ATOM 1552 C LYS A 95 90.479 -6.720 12.405 1.00 0.00 C ATOM 1553 O LYS A 95 90.344 -6.040 13.402 1.00 0.00 O ATOM 1554 CB LYS A 95 89.226 -5.094 11.004 1.00 0.00 C ATOM 1555 CG LYS A 95 87.954 -5.763 11.528 1.00 0.00 C ATOM 1556 CD LYS A 95 86.773 -5.404 10.625 1.00 0.00 C ATOM 1557 CE LYS A 95 86.048 -6.683 10.200 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.887 -6.330 9.334 1.00 0.00 N ATOM 0 H LYS A 95 89.045 -7.328 9.832 1.00 0.00 H new ATOM 0 HA LYS A 95 91.297 -5.646 10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 95 89.489 -4.241 11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.065 -4.713 9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 95 88.086 -6.845 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 95 87.755 -5.438 12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 95 86.086 -4.742 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 95 87.125 -4.863 9.746 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.731 -7.339 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 95 85.707 -7.230 11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 84.279 -7.165 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.340 -5.566 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 85.231 -6.012 8.405 1.00 0.00 H new ATOM 1727 N PHE A 106 94.624 -2.920 12.795 1.00 0.00 N ATOM 1728 CA PHE A 106 94.667 -2.527 11.358 1.00 0.00 C ATOM 1729 C PHE A 106 93.636 -3.323 10.559 1.00 0.00 C ATOM 1730 O PHE A 106 92.946 -4.182 11.072 1.00 0.00 O ATOM 1731 CB PHE A 106 96.040 -2.833 10.753 1.00 0.00 C ATOM 1732 CG PHE A 106 97.048 -3.178 11.819 1.00 0.00 C ATOM 1733 CD1 PHE A 106 97.786 -2.165 12.439 1.00 0.00 C ATOM 1734 CD2 PHE A 106 97.258 -4.513 12.167 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.734 -2.490 13.412 1.00 0.00 C ATOM 1736 CE2 PHE A 106 98.206 -4.841 13.138 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.946 -3.830 13.763 1.00 0.00 C ATOM 0 HA PHE A 106 94.457 -1.459 11.308 1.00 0.00 H new ATOM 0 HB2 PHE A 106 95.953 -3.662 10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 106 96.389 -1.970 10.186 1.00 0.00 H new ATOM 0 HD1 PHE A 106 97.623 -1.133 12.166 1.00 0.00 H new ATOM 0 HD2 PHE A 106 96.687 -5.293 11.685 1.00 0.00 H new ATOM 0 HE1 PHE A 106 99.303 -1.709 13.894 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.368 -5.874 13.407 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.679 -4.083 14.515 1.00 0.00 H new ATOM 1747 N ARG A 107 93.577 -3.059 9.287 1.00 0.00 N ATOM 1748 CA ARG A 107 92.659 -3.791 8.384 1.00 0.00 C ATOM 1749 C ARG A 107 93.519 -4.764 7.571 1.00 0.00 C ATOM 1750 O ARG A 107 94.021 -4.442 6.505 1.00 0.00 O ATOM 1751 CB ARG A 107 91.956 -2.802 7.444 1.00 0.00 C ATOM 1752 CG ARG A 107 90.455 -3.089 7.402 1.00 0.00 C ATOM 1753 CD ARG A 107 89.748 -1.978 6.621 1.00 0.00 C ATOM 1754 NE ARG A 107 89.566 -0.790 7.501 1.00 0.00 N ATOM 1755 CZ ARG A 107 88.590 -0.755 8.370 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.765 -1.763 8.473 1.00 0.00 N ATOM 1757 NH2 ARG A 107 88.438 0.289 9.138 1.00 0.00 N ATOM 0 H ARG A 107 94.143 -2.347 8.826 1.00 0.00 H new ATOM 0 HA ARG A 107 91.894 -4.324 8.949 1.00 0.00 H new ATOM 0 HB2 ARG A 107 92.129 -1.781 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.377 -2.880 6.442 1.00 0.00 H new ATOM 0 HG2 ARG A 107 90.271 -4.054 6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 107 90.056 -3.148 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.334 -1.707 5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 107 88.781 -2.330 6.263 1.00 0.00 H new ATOM 0 HE ARG A 107 90.206 0.000 7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 107 87.881 -2.581 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.005 -1.732 9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 107 89.081 1.077 9.060 1.00 0.00 H new ATOM 0 HH22 ARG A 107 87.677 0.317 9.816 1.00 0.00 H new ATOM 1771 N VAL A 108 93.736 -5.935 8.102 1.00 0.00 N ATOM 1772 CA VAL A 108 94.585 -6.934 7.411 1.00 0.00 C ATOM 1773 C VAL A 108 93.824 -7.566 6.249 1.00 0.00 C ATOM 1774 O VAL A 108 92.961 -8.397 6.435 1.00 0.00 O ATOM 1775 CB VAL A 108 94.990 -7.999 8.426 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.222 -8.747 7.932 1.00 0.00 C ATOM 1777 CG2 VAL A 108 95.322 -7.311 9.747 1.00 0.00 C ATOM 0 H VAL A 108 93.355 -6.242 8.997 1.00 0.00 H new ATOM 0 HA VAL A 108 95.473 -6.451 7.003 1.00 0.00 H new ATOM 0 HB VAL A 108 94.172 -8.707 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.504 -9.505 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 108 95.999 -9.226 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 108 97.046 -8.045 7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 108 95.614 -8.059 10.484 1.00 0.00 H new ATOM 0 HG22 VAL A 108 96.144 -6.611 9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.446 -6.771 10.106 1.00 0.00 H new ATOM 1787 N TYR A 109 94.142 -7.178 5.045 1.00 0.00 N ATOM 1788 CA TYR A 109 93.436 -7.761 3.874 1.00 0.00 C ATOM 1789 C TYR A 109 94.201 -8.986 3.367 1.00 0.00 C ATOM 1790 O TYR A 109 95.145 -8.879 2.605 1.00 0.00 O ATOM 1791 CB TYR A 109 93.334 -6.718 2.761 1.00 0.00 C ATOM 1792 CG TYR A 109 92.090 -5.893 2.977 1.00 0.00 C ATOM 1793 CD1 TYR A 109 90.841 -6.383 2.579 1.00 0.00 C ATOM 1794 CD2 TYR A 109 92.186 -4.639 3.585 1.00 0.00 C ATOM 1795 CE1 TYR A 109 89.689 -5.619 2.787 1.00 0.00 C ATOM 1796 CE2 TYR A 109 91.034 -3.873 3.799 1.00 0.00 C ATOM 1797 CZ TYR A 109 89.785 -4.363 3.399 1.00 0.00 C ATOM 1798 OH TYR A 109 88.649 -3.610 3.613 1.00 0.00 O ATOM 0 H TYR A 109 94.857 -6.485 4.824 1.00 0.00 H new ATOM 0 HA TYR A 109 92.433 -8.064 4.174 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.216 -6.078 2.763 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.297 -7.208 1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 109 90.767 -7.353 2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 109 93.150 -4.260 3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 109 88.726 -5.997 2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 109 91.109 -2.905 4.272 1.00 0.00 H new ATOM 0 HH TYR A 109 88.893 -2.766 4.048 1.00 0.00 H new ATOM 1808 N ARG A 110 93.795 -10.150 3.791 1.00 0.00 N ATOM 1809 CA ARG A 110 94.477 -11.393 3.346 1.00 0.00 C ATOM 1810 C ARG A 110 93.920 -11.809 1.981 1.00 0.00 C ATOM 1811 O ARG A 110 92.736 -12.038 1.827 1.00 0.00 O ATOM 1812 CB ARG A 110 94.212 -12.497 4.375 1.00 0.00 C ATOM 1813 CG ARG A 110 94.517 -13.868 3.767 1.00 0.00 C ATOM 1814 CD ARG A 110 95.002 -14.813 4.867 1.00 0.00 C ATOM 1815 NE ARG A 110 95.788 -15.924 4.260 1.00 0.00 N ATOM 1816 CZ ARG A 110 96.028 -17.007 4.947 1.00 0.00 C ATOM 1817 NH1 ARG A 110 95.579 -17.123 6.169 1.00 0.00 N ATOM 1818 NH2 ARG A 110 96.717 -17.978 4.414 1.00 0.00 N ATOM 0 H ARG A 110 93.014 -10.293 4.431 1.00 0.00 H new ATOM 0 HA ARG A 110 95.551 -11.225 3.260 1.00 0.00 H new ATOM 0 HB2 ARG A 110 94.830 -12.337 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.173 -12.459 4.701 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.625 -14.274 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 110 95.277 -13.774 2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 110 95.617 -14.268 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.151 -15.214 5.417 1.00 0.00 H new ATOM 0 HE ARG A 110 96.139 -15.838 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 110 95.039 -16.366 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 110 95.768 -17.971 6.704 1.00 0.00 H new ATOM 0 HH21 ARG A 110 97.068 -17.891 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 110 96.905 -18.825 4.951 1.00 0.00 H new ATOM 1832 N MET A 111 94.762 -11.906 0.989 1.00 0.00 N ATOM 1833 CA MET A 111 94.276 -12.309 -0.361 1.00 0.00 C ATOM 1834 C MET A 111 94.533 -13.804 -0.563 1.00 0.00 C ATOM 1835 O MET A 111 95.467 -14.359 -0.021 1.00 0.00 O ATOM 1836 CB MET A 111 95.022 -11.517 -1.437 1.00 0.00 C ATOM 1837 CG MET A 111 95.101 -10.045 -1.031 1.00 0.00 C ATOM 1838 SD MET A 111 94.768 -9.008 -2.477 1.00 0.00 S ATOM 1839 CE MET A 111 96.421 -8.296 -2.627 1.00 0.00 C ATOM 0 H MET A 111 95.764 -11.724 1.054 1.00 0.00 H new ATOM 0 HA MET A 111 93.208 -12.103 -0.438 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.025 -11.922 -1.570 1.00 0.00 H new ATOM 0 HB3 MET A 111 94.510 -11.613 -2.394 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.378 -9.834 -0.243 1.00 0.00 H new ATOM 0 HG3 MET A 111 96.088 -9.820 -0.627 1.00 0.00 H new ATOM 0 HE1 MET A 111 96.363 -7.214 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 111 97.067 -8.709 -1.852 1.00 0.00 H new ATOM 0 HE3 MET A 111 96.833 -8.535 -3.607 1.00 0.00 H new ATOM 1849 N LEU A 112 93.713 -14.460 -1.337 1.00 0.00 N ATOM 1850 CA LEU A 112 93.918 -15.918 -1.568 1.00 0.00 C ATOM 1851 C LEU A 112 94.868 -16.118 -2.752 1.00 0.00 C ATOM 1852 O LEU A 112 94.975 -15.265 -3.611 1.00 0.00 O ATOM 1853 CB LEU A 112 92.571 -16.581 -1.871 1.00 0.00 C ATOM 1854 CG LEU A 112 91.544 -16.151 -0.821 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.166 -16.697 -1.200 1.00 0.00 C ATOM 1856 CD2 LEU A 112 91.952 -16.706 0.547 1.00 0.00 C ATOM 0 H LEU A 112 92.912 -14.051 -1.818 1.00 0.00 H new ATOM 0 HA LEU A 112 94.351 -16.371 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.230 -16.298 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 112 92.678 -17.666 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 112 91.504 -15.063 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.435 -16.391 -0.452 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.875 -16.305 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.205 -17.785 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.222 -16.401 1.296 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.991 -17.794 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.934 -16.319 0.819 1.00 0.00 H new ATOM 1868 N PRO A 113 95.534 -17.245 -2.758 1.00 0.00 N ATOM 1869 CA PRO A 113 96.490 -17.597 -3.822 1.00 0.00 C ATOM 1870 C PRO A 113 95.752 -18.056 -5.082 1.00 0.00 C ATOM 1871 O PRO A 113 95.605 -17.248 -5.984 1.00 0.00 O ATOM 1872 CB PRO A 113 97.300 -18.741 -3.215 1.00 0.00 C ATOM 1873 CG PRO A 113 96.425 -19.347 -2.100 1.00 0.00 C ATOM 1874 CD PRO A 113 95.395 -18.273 -1.709 1.00 0.00 C ATOM 1875 OXT PRO A 113 95.349 -19.206 -5.124 1.00 0.00 O ATOM 0 HA PRO A 113 97.113 -16.757 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.542 -19.489 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.246 -18.377 -2.813 1.00 0.00 H new ATOM 0 HG2 PRO A 113 95.927 -20.252 -2.448 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.034 -19.629 -1.241 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.384 -18.681 -1.681 1.00 0.00 H new ATOM 0 HD3 PRO A 113 95.601 -17.864 -0.720 1.00 0.00 H new