USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 795 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 97 LYS NZ :NH3+ -119:sc= -0.311 (180deg=-0.287) USER MOD Set 1.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 126 HIS :FLIP no HD1:sc= -0.871 F(o=-1.8!,f=-1.2) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 113 SER OG : rot 86:sc= 1.63 USER MOD Set 2.3: A 115 SER OG : rot -27:sc= 0.462 USER MOD Set 3.1: A 91 SER OG : rot 180:sc= -1.43 USER MOD Set 3.2: A 131 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 38 THR OG1 : rot 95:sc= 1.95 USER MOD Set 4.2: A 40 SER OG : rot -120:sc= 0.627 USER MOD Set 4.3: A 47 GLN :FLIP amide:sc= 0 F(o=0.49,f=1.7) USER MOD Set 4.4: A 58 MET CE :methyl 172:sc= -0.352 (180deg=-0.635) USER MOD Set 4.5: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 4.6: A 104 SER OG : rot 180:sc= -1.2 USER MOD Set 4.7: A 127 SER OG : rot 65:sc= 0.648 USER MOD Set 5.1: A 41 ASN : amide:sc= -0.808! K(o=0.022!,f=-0.64) USER MOD Set 5.2: A 45 GLN : amide:sc= 0.83 K(o=0.022,f=-0.64) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.31 K(o=-0.31,f=-0.9) USER MOD Single : A 42 SER OG : rot -116:sc= 1.25 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0503 (180deg=-0.288) USER MOD Single : A 57 HIS : no HE2:sc= -3.93! C(o=-3.9!,f=-4.2!) USER MOD Single : A 61 SER OG : rot 77:sc= 0.501 USER MOD Single : A 62 GLN : amide:sc= -0.692 K(o=-0.69,f=-1.8) USER MOD Single : A 63 SER OG : rot 91:sc= 1.19 USER MOD Single : A 67 SER OG : rot -170:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0974 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.98! C(o=-3!,f=-7.5!) USER MOD Single : A 75 SER OG : rot 120:sc= 1.3 USER MOD Single : A 76 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.36) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.885 K(o=-0.89,f=-2.5!) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.000906 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.339 F(o=-1.4,f=-0.34) USER MOD Single : A 103 SER OG : rot 103:sc= 0.834 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 116 ASN : amide:sc=-0.00288 K(o=-0.0029,f=-1) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 120 SER OG : rot 170:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.808 K(o=-0.81,f=-6.7!) USER MOD Single : A 124 MET CE :methyl 165:sc= 0 (180deg=-0.152) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -7.168 -2.190 10.438 1.00 0.00 N ATOM 24 CA LEU A 26 -6.153 -1.147 10.466 1.00 0.00 C ATOM 25 C LEU A 26 -6.298 -0.219 9.272 1.00 0.00 C ATOM 26 O LEU A 26 -5.883 -0.550 8.167 1.00 0.00 O ATOM 27 CB LEU A 26 -4.754 -1.769 10.462 1.00 0.00 C ATOM 28 CG LEU A 26 -4.357 -2.527 11.730 1.00 0.00 C ATOM 29 CD1 LEU A 26 -3.023 -3.221 11.531 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.286 -1.585 12.923 1.00 0.00 C ATOM 0 HA LEU A 26 -6.290 -0.568 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.684 -2.453 9.616 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.025 -0.976 10.292 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.120 -3.279 11.932 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.752 -3.757 12.441 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.100 -3.927 10.704 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.257 -2.479 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.002 -2.146 13.813 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.544 -0.810 12.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.261 -1.123 13.081 1.00 0.00 H new ATOM 42 N SER A 27 -6.890 0.936 9.489 1.00 0.00 N ATOM 43 CA SER A 27 -7.031 1.918 8.433 1.00 0.00 C ATOM 44 C SER A 27 -5.758 2.746 8.349 1.00 0.00 C ATOM 45 O SER A 27 -5.121 3.004 9.367 1.00 0.00 O ATOM 46 CB SER A 27 -8.223 2.827 8.728 1.00 0.00 C ATOM 47 OG SER A 27 -9.381 2.070 9.042 1.00 0.00 O ATOM 0 H SER A 27 -7.282 1.219 10.387 1.00 0.00 H new ATOM 0 HA SER A 27 -7.200 1.412 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.982 3.489 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.423 3.461 7.864 1.00 0.00 H new ATOM 0 HG SER A 27 -10.128 2.677 9.228 1.00 0.00 H new ATOM 53 N TRP A 28 -5.384 3.179 7.148 1.00 0.00 N ATOM 54 CA TRP A 28 -4.214 4.041 7.008 1.00 0.00 C ATOM 55 C TRP A 28 -4.551 5.470 7.433 1.00 0.00 C ATOM 56 O TRP A 28 -3.828 6.420 7.135 1.00 0.00 O ATOM 57 CB TRP A 28 -3.628 3.990 5.590 1.00 0.00 C ATOM 58 CG TRP A 28 -4.567 4.336 4.470 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.614 5.213 4.492 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.504 3.821 3.135 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.214 5.261 3.257 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.547 4.416 2.406 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.664 2.907 2.487 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.774 4.130 1.061 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.892 2.624 1.154 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.938 3.234 0.454 1.00 0.00 C ATOM 0 H TRP A 28 -5.862 2.954 6.275 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.438 3.664 7.674 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.778 4.671 5.546 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.242 2.986 5.415 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.925 5.785 5.354 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.023 5.832 3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.853 2.432 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.581 4.599 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.252 1.920 0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.089 2.992 -0.588 1.00 0.00 H new ATOM 77 N TYR A 29 -5.675 5.592 8.122 1.00 0.00 N ATOM 78 CA TYR A 29 -6.096 6.834 8.733 1.00 0.00 C ATOM 79 C TYR A 29 -5.906 6.736 10.249 1.00 0.00 C ATOM 80 O TYR A 29 -6.031 7.724 10.973 1.00 0.00 O ATOM 81 CB TYR A 29 -7.566 7.109 8.380 1.00 0.00 C ATOM 82 CG TYR A 29 -8.119 8.393 8.960 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.781 9.626 8.417 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.976 8.372 10.055 1.00 0.00 C ATOM 85 CE1 TYR A 29 -8.280 10.800 8.946 1.00 0.00 C ATOM 86 CE2 TYR A 29 -9.479 9.542 10.589 1.00 0.00 C ATOM 87 CZ TYR A 29 -9.128 10.751 10.033 1.00 0.00 C ATOM 88 OH TYR A 29 -9.629 11.918 10.567 1.00 0.00 O ATOM 0 H TYR A 29 -6.325 4.820 8.272 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.494 7.661 8.357 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.666 7.142 7.295 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.173 6.275 8.731 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.117 9.667 7.567 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.253 7.425 10.495 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.008 11.751 8.511 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.145 9.508 11.439 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.211 11.707 11.327 1.00 0.00 H new ATOM 98 N ASP A 30 -5.593 5.528 10.723 1.00 0.00 N ATOM 99 CA ASP A 30 -5.367 5.301 12.146 1.00 0.00 C ATOM 100 C ASP A 30 -4.068 5.951 12.587 1.00 0.00 C ATOM 101 O ASP A 30 -3.072 5.908 11.863 1.00 0.00 O ATOM 102 CB ASP A 30 -5.340 3.805 12.488 1.00 0.00 C ATOM 103 CG ASP A 30 -6.726 3.210 12.651 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.355 3.445 13.705 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.190 2.493 11.743 1.00 0.00 O ATOM 0 H ASP A 30 -5.491 4.696 10.142 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.201 5.755 12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.810 3.268 11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.777 3.659 13.410 1.00 0.00 H new ATOM 110 N PRO A 31 -4.070 6.570 13.776 1.00 0.00 N ATOM 111 CA PRO A 31 -2.932 7.343 14.281 1.00 0.00 C ATOM 112 C PRO A 31 -1.600 6.622 14.123 1.00 0.00 C ATOM 113 O PRO A 31 -0.681 7.127 13.477 1.00 0.00 O ATOM 114 CB PRO A 31 -3.266 7.522 15.760 1.00 0.00 C ATOM 115 CG PRO A 31 -4.752 7.522 15.800 1.00 0.00 C ATOM 116 CD PRO A 31 -5.194 6.563 14.730 1.00 0.00 C ATOM 0 HA PRO A 31 -2.805 8.276 13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.851 6.714 16.363 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.857 8.454 16.151 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.116 7.210 16.779 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.148 8.521 15.617 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.372 5.566 15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -6.122 6.887 14.259 1.00 0.00 H new ATOM 124 N ASP A 32 -1.514 5.429 14.687 1.00 0.00 N ATOM 125 CA ASP A 32 -0.263 4.684 14.709 1.00 0.00 C ATOM 126 C ASP A 32 -0.234 3.593 13.652 1.00 0.00 C ATOM 127 O ASP A 32 0.308 2.508 13.878 1.00 0.00 O ATOM 128 CB ASP A 32 -0.018 4.075 16.089 1.00 0.00 C ATOM 129 CG ASP A 32 0.668 5.041 17.030 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.007 5.949 17.554 1.00 0.00 O ATOM 131 OD2 ASP A 32 1.892 4.900 17.238 1.00 0.00 O ATOM 0 H ASP A 32 -2.296 4.954 15.137 1.00 0.00 H new ATOM 0 HA ASP A 32 0.534 5.393 14.484 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.970 3.765 16.521 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.592 3.178 15.985 1.00 0.00 H new ATOM 136 N PHE A 33 -0.821 3.872 12.499 1.00 0.00 N ATOM 137 CA PHE A 33 -0.723 2.962 11.372 1.00 0.00 C ATOM 138 C PHE A 33 0.669 3.063 10.762 1.00 0.00 C ATOM 139 O PHE A 33 1.060 4.114 10.252 1.00 0.00 O ATOM 140 CB PHE A 33 -1.786 3.282 10.322 1.00 0.00 C ATOM 141 CG PHE A 33 -1.799 2.315 9.171 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.425 1.084 9.287 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.186 2.640 7.971 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.440 0.195 8.228 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.199 1.756 6.910 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.827 0.534 7.039 1.00 0.00 C ATOM 0 H PHE A 33 -1.366 4.715 12.321 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.893 1.944 11.723 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.767 3.283 10.797 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.617 4.288 9.939 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.907 0.816 10.216 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.693 3.595 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.930 -0.762 8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.718 2.021 5.980 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.839 -0.157 6.209 1.00 0.00 H new ATOM 156 N GLN A 34 1.419 1.974 10.834 1.00 0.00 N ATOM 157 CA GLN A 34 2.790 1.964 10.350 1.00 0.00 C ATOM 158 C GLN A 34 2.896 1.328 8.976 1.00 0.00 C ATOM 159 O GLN A 34 2.332 0.262 8.720 1.00 0.00 O ATOM 160 CB GLN A 34 3.706 1.245 11.341 1.00 0.00 C ATOM 161 CG GLN A 34 4.166 2.142 12.477 1.00 0.00 C ATOM 162 CD GLN A 34 5.018 3.302 11.992 1.00 0.00 C ATOM 163 OE1 GLN A 34 5.736 3.190 10.995 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.937 4.427 12.682 1.00 0.00 N ATOM 0 H GLN A 34 1.101 1.086 11.223 1.00 0.00 H new ATOM 0 HA GLN A 34 3.112 3.001 10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.181 0.384 11.754 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.578 0.863 10.811 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.295 2.531 13.005 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.736 1.551 13.194 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.332 4.480 13.501 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.480 5.241 12.395 1.00 0.00 H new ATOM 173 N ALA A 35 3.613 2.003 8.094 1.00 0.00 N ATOM 174 CA ALA A 35 3.872 1.502 6.757 1.00 0.00 C ATOM 175 C ALA A 35 5.228 1.999 6.278 1.00 0.00 C ATOM 176 O ALA A 35 5.714 3.031 6.745 1.00 0.00 O ATOM 177 CB ALA A 35 2.774 1.938 5.796 1.00 0.00 C ATOM 0 H ALA A 35 4.031 2.913 8.285 1.00 0.00 H new ATOM 0 HA ALA A 35 3.881 0.412 6.785 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.988 1.552 4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.815 1.548 6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.732 3.027 5.762 1.00 0.00 H new ATOM 183 N ARG A 36 5.843 1.267 5.366 1.00 0.00 N ATOM 184 CA ARG A 36 7.136 1.656 4.837 1.00 0.00 C ATOM 185 C ARG A 36 7.116 1.606 3.319 1.00 0.00 C ATOM 186 O ARG A 36 6.328 0.868 2.719 1.00 0.00 O ATOM 187 CB ARG A 36 8.254 0.743 5.361 1.00 0.00 C ATOM 188 CG ARG A 36 8.317 -0.607 4.663 1.00 0.00 C ATOM 189 CD ARG A 36 9.680 -1.264 4.827 1.00 0.00 C ATOM 190 NE ARG A 36 9.872 -1.831 6.159 1.00 0.00 N ATOM 191 CZ ARG A 36 10.667 -1.304 7.086 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.310 -0.167 6.845 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.822 -1.913 8.250 1.00 0.00 N ATOM 0 H ARG A 36 5.468 0.402 4.978 1.00 0.00 H new ATOM 0 HA ARG A 36 7.337 2.674 5.170 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.212 1.250 5.240 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.110 0.583 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.546 -1.262 5.069 1.00 0.00 H new ATOM 0 HG3 ARG A 36 8.100 -0.479 3.602 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.792 -2.051 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.460 -0.528 4.633 1.00 0.00 H new ATOM 0 HE ARG A 36 9.365 -2.684 6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.195 0.304 5.948 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.919 0.235 7.557 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.332 -2.788 8.437 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.432 -1.508 8.960 1.00 0.00 H new ATOM 206 N LEU A 37 7.970 2.405 2.710 1.00 0.00 N ATOM 207 CA LEU A 37 8.190 2.343 1.281 1.00 0.00 C ATOM 208 C LEU A 37 9.590 1.805 1.025 1.00 0.00 C ATOM 209 O LEU A 37 10.575 2.311 1.569 1.00 0.00 O ATOM 210 CB LEU A 37 7.978 3.720 0.659 1.00 0.00 C ATOM 211 CG LEU A 37 6.545 4.245 0.795 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.465 5.706 0.407 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.596 3.420 -0.062 1.00 0.00 C ATOM 0 H LEU A 37 8.528 3.111 3.190 1.00 0.00 H new ATOM 0 HA LEU A 37 7.473 1.669 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.661 4.429 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.240 3.675 -0.398 1.00 0.00 H new ATOM 0 HG LEU A 37 6.247 4.153 1.840 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.438 6.055 0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.115 6.291 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.785 5.826 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.582 3.805 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.900 3.484 -1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.625 2.379 0.261 1.00 0.00 H new ATOM 225 N THR A 38 9.649 0.758 0.223 1.00 0.00 N ATOM 226 CA THR A 38 10.846 -0.061 0.083 1.00 0.00 C ATOM 227 C THR A 38 11.964 0.632 -0.693 1.00 0.00 C ATOM 228 O THR A 38 11.769 1.681 -1.311 1.00 0.00 O ATOM 229 CB THR A 38 10.486 -1.370 -0.633 1.00 0.00 C ATOM 230 OG1 THR A 38 9.939 -1.075 -1.924 1.00 0.00 O ATOM 231 CG2 THR A 38 9.476 -2.165 0.178 1.00 0.00 C ATOM 0 H THR A 38 8.867 0.448 -0.353 1.00 0.00 H new ATOM 0 HA THR A 38 11.218 -0.248 1.091 1.00 0.00 H new ATOM 0 HB THR A 38 11.391 -1.967 -0.743 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.648 -1.122 -2.598 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.234 -3.089 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.899 -2.402 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.569 -1.575 0.309 1.00 0.00 H new ATOM 239 N ARG A 39 13.137 -0.004 -0.672 1.00 0.00 N ATOM 240 CA ARG A 39 14.330 0.497 -1.353 1.00 0.00 C ATOM 241 C ARG A 39 14.244 0.274 -2.865 1.00 0.00 C ATOM 242 O ARG A 39 15.265 0.217 -3.553 1.00 0.00 O ATOM 243 CB ARG A 39 15.574 -0.220 -0.815 1.00 0.00 C ATOM 244 CG ARG A 39 15.807 -0.042 0.678 1.00 0.00 C ATOM 245 CD ARG A 39 16.209 1.385 1.019 1.00 0.00 C ATOM 246 NE ARG A 39 17.376 1.820 0.253 1.00 0.00 N ATOM 247 CZ ARG A 39 18.570 2.067 0.781 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.772 1.900 2.083 1.00 0.00 N ATOM 249 NH2 ARG A 39 19.564 2.487 0.012 1.00 0.00 N ATOM 0 H ARG A 39 13.286 -0.885 -0.180 1.00 0.00 H new ATOM 0 HA ARG A 39 14.398 1.568 -1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.487 -1.285 -1.032 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.449 0.144 -1.353 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.899 -0.304 1.222 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.586 -0.728 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.373 2.055 0.819 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.427 1.456 2.085 1.00 0.00 H new ATOM 0 HE ARG A 39 17.266 1.942 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.009 1.581 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.690 2.090 2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 39 19.414 2.621 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 39 20.480 2.676 0.420 1.00 0.00 H new ATOM 262 N SER A 40 13.026 0.152 -3.377 1.00 0.00 N ATOM 263 CA SER A 40 12.808 -0.111 -4.790 1.00 0.00 C ATOM 264 C SER A 40 13.091 1.131 -5.627 1.00 0.00 C ATOM 265 O SER A 40 13.483 1.033 -6.790 1.00 0.00 O ATOM 266 CB SER A 40 11.371 -0.576 -5.013 1.00 0.00 C ATOM 267 OG SER A 40 11.080 -1.710 -4.215 1.00 0.00 O ATOM 0 H SER A 40 12.170 0.232 -2.829 1.00 0.00 H new ATOM 0 HA SER A 40 13.496 -0.896 -5.104 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.681 0.232 -4.770 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.221 -0.818 -6.065 1.00 0.00 H new ATOM 0 HG SER A 40 10.829 -2.461 -4.793 1.00 0.00 H new ATOM 273 N ASN A 41 12.900 2.300 -5.033 1.00 0.00 N ATOM 274 CA ASN A 41 13.133 3.552 -5.737 1.00 0.00 C ATOM 275 C ASN A 41 13.690 4.589 -4.769 1.00 0.00 C ATOM 276 O ASN A 41 14.787 5.112 -4.964 1.00 0.00 O ATOM 277 CB ASN A 41 11.834 4.056 -6.377 1.00 0.00 C ATOM 278 CG ASN A 41 12.069 5.045 -7.505 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.279 5.964 -7.709 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.136 4.847 -8.265 1.00 0.00 N ATOM 0 H ASN A 41 12.585 2.408 -4.069 1.00 0.00 H new ATOM 0 HA ASN A 41 13.860 3.384 -6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.271 3.205 -6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.218 4.527 -5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.325 5.469 -9.051 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.769 4.073 -8.064 1.00 0.00 H new ATOM 287 N SER A 42 12.929 4.865 -3.720 1.00 0.00 N ATOM 288 CA SER A 42 13.367 5.759 -2.659 1.00 0.00 C ATOM 289 C SER A 42 12.520 5.509 -1.415 1.00 0.00 C ATOM 290 O SER A 42 11.453 4.903 -1.495 1.00 0.00 O ATOM 291 CB SER A 42 13.253 7.223 -3.109 1.00 0.00 C ATOM 292 OG SER A 42 13.974 8.086 -2.243 1.00 0.00 O ATOM 0 H SER A 42 11.996 4.478 -3.581 1.00 0.00 H new ATOM 0 HA SER A 42 14.414 5.562 -2.426 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.633 7.324 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.204 7.519 -3.130 1.00 0.00 H new ATOM 0 HG SER A 42 13.351 8.697 -1.797 1.00 0.00 H new ATOM 298 N LYS A 43 12.998 5.980 -0.269 1.00 0.00 N ATOM 299 CA LYS A 43 12.320 5.758 1.009 1.00 0.00 C ATOM 300 C LYS A 43 10.948 6.427 1.058 1.00 0.00 C ATOM 301 O LYS A 43 10.168 6.178 1.978 1.00 0.00 O ATOM 302 CB LYS A 43 13.184 6.265 2.171 1.00 0.00 C ATOM 303 CG LYS A 43 14.321 5.329 2.557 1.00 0.00 C ATOM 304 CD LYS A 43 13.797 4.014 3.116 1.00 0.00 C ATOM 305 CE LYS A 43 12.982 4.229 4.386 1.00 0.00 C ATOM 306 NZ LYS A 43 12.382 2.961 4.883 1.00 0.00 N ATOM 0 H LYS A 43 13.859 6.522 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 43 12.170 4.683 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.602 7.235 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.547 6.423 3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.943 5.132 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.956 5.813 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.179 3.520 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.634 3.349 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.621 4.656 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.191 4.953 4.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.836 3.151 5.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.752 2.566 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.138 2.278 5.094 1.00 0.00 H new ATOM 319 N CYS A 44 10.657 7.279 0.086 1.00 0.00 N ATOM 320 CA CYS A 44 9.366 7.947 0.029 1.00 0.00 C ATOM 321 C CYS A 44 8.606 7.559 -1.245 1.00 0.00 C ATOM 322 O CYS A 44 7.619 8.201 -1.616 1.00 0.00 O ATOM 323 CB CYS A 44 9.554 9.464 0.116 1.00 0.00 C ATOM 324 SG CYS A 44 8.011 10.399 0.371 1.00 0.00 S ATOM 0 H CYS A 44 11.295 7.523 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 44 8.769 7.624 0.882 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.239 9.687 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.029 9.812 -0.801 1.00 0.00 H new ATOM 329 N GLN A 45 9.054 6.488 -1.899 1.00 0.00 N ATOM 330 CA GLN A 45 8.386 5.985 -3.096 1.00 0.00 C ATOM 331 C GLN A 45 8.905 4.595 -3.468 1.00 0.00 C ATOM 332 O GLN A 45 10.065 4.425 -3.848 1.00 0.00 O ATOM 333 CB GLN A 45 8.545 6.967 -4.268 1.00 0.00 C ATOM 334 CG GLN A 45 9.974 7.392 -4.551 1.00 0.00 C ATOM 335 CD GLN A 45 10.042 8.573 -5.499 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.039 9.725 -5.069 1.00 0.00 O ATOM 337 NE2 GLN A 45 10.106 8.301 -6.792 1.00 0.00 N ATOM 0 H GLN A 45 9.876 5.953 -1.619 1.00 0.00 H new ATOM 0 HA GLN A 45 7.322 5.897 -2.876 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.132 6.509 -5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.950 7.857 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.467 7.651 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.523 6.553 -4.978 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.106 7.332 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.155 9.060 -7.471 1.00 0.00 H new ATOM 346 N GLY A 46 8.036 3.605 -3.346 1.00 0.00 N ATOM 347 CA GLY A 46 8.418 2.230 -3.618 1.00 0.00 C ATOM 348 C GLY A 46 7.275 1.274 -3.349 1.00 0.00 C ATOM 349 O GLY A 46 6.110 1.666 -3.450 1.00 0.00 O ATOM 0 H GLY A 46 7.064 3.728 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.734 2.138 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.274 1.960 -2.999 1.00 0.00 H new ATOM 353 N GLN A 47 7.595 0.028 -3.002 1.00 0.00 N ATOM 354 CA GLN A 47 6.569 -0.955 -2.678 1.00 0.00 C ATOM 355 C GLN A 47 5.948 -0.601 -1.333 1.00 0.00 C ATOM 356 O GLN A 47 6.666 -0.285 -0.381 1.00 0.00 O ATOM 357 CB GLN A 47 7.164 -2.373 -2.618 1.00 0.00 C ATOM 358 CG GLN A 47 7.972 -2.764 -3.847 1.00 0.00 C ATOM 359 CD GLN A 47 8.589 -4.150 -3.734 1.00 0.00 C ATOM 360 OE1 GLN A 47 7.893 -5.150 -4.247 1.00 0.00 O flip ATOM 361 NE2 GLN A 47 9.692 -4.315 -3.210 1.00 0.00 N flip ATOM 0 H GLN A 47 8.551 -0.321 -2.939 1.00 0.00 H new ATOM 0 HA GLN A 47 5.808 -0.939 -3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.802 -2.450 -1.738 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.353 -3.090 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 47 7.327 -2.729 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.764 -2.031 -4.003 1.00 0.00 H new ATOM 0 HE21 GLN A 47 10.198 -3.517 -2.825 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.099 -5.249 -3.161 1.00 0.00 H new ATOM 370 N LEU A 48 4.627 -0.627 -1.258 1.00 0.00 N ATOM 371 CA LEU A 48 3.941 -0.290 -0.024 1.00 0.00 C ATOM 372 C LEU A 48 3.822 -1.510 0.877 1.00 0.00 C ATOM 373 O LEU A 48 3.082 -2.452 0.576 1.00 0.00 O ATOM 374 CB LEU A 48 2.553 0.290 -0.312 1.00 0.00 C ATOM 375 CG LEU A 48 1.774 0.773 0.919 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.500 1.922 1.605 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.368 1.198 0.525 1.00 0.00 C ATOM 0 H LEU A 48 4.013 -0.877 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 48 4.532 0.467 0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.663 1.126 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.959 -0.469 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 48 1.705 -0.056 1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.928 2.247 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.488 1.589 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.605 2.754 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.171 1.538 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.423 2.010 -0.200 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.158 0.352 0.083 1.00 0.00 H new ATOM 389 N GLU A 49 4.570 -1.493 1.968 1.00 0.00 N ATOM 390 CA GLU A 49 4.495 -2.547 2.966 1.00 0.00 C ATOM 391 C GLU A 49 3.919 -1.995 4.260 1.00 0.00 C ATOM 392 O GLU A 49 4.453 -1.048 4.838 1.00 0.00 O ATOM 393 CB GLU A 49 5.869 -3.183 3.209 1.00 0.00 C ATOM 394 CG GLU A 49 6.299 -4.136 2.105 1.00 0.00 C ATOM 395 CD GLU A 49 7.655 -4.766 2.350 1.00 0.00 C ATOM 396 OE1 GLU A 49 7.892 -5.275 3.463 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.482 -4.785 1.415 1.00 0.00 O ATOM 0 H GLU A 49 5.240 -0.756 2.186 1.00 0.00 H new ATOM 0 HA GLU A 49 3.835 -3.329 2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.614 -2.393 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.849 -3.722 4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.553 -4.924 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.323 -3.597 1.158 1.00 0.00 H new ATOM 404 N VAL A 50 2.816 -2.580 4.697 1.00 0.00 N ATOM 405 CA VAL A 50 2.109 -2.108 5.878 1.00 0.00 C ATOM 406 C VAL A 50 2.296 -3.066 7.050 1.00 0.00 C ATOM 407 O VAL A 50 2.544 -4.260 6.861 1.00 0.00 O ATOM 408 CB VAL A 50 0.600 -1.916 5.599 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.388 -0.891 4.490 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.069 -3.240 5.246 1.00 0.00 C ATOM 0 H VAL A 50 2.387 -3.389 4.248 1.00 0.00 H new ATOM 0 HA VAL A 50 2.538 -1.141 6.139 1.00 0.00 H new ATOM 0 HB VAL A 50 0.134 -1.541 6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.680 -0.769 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.817 0.065 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.875 -1.236 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.129 -3.073 5.055 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.399 -3.658 4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.045 -3.938 6.076 1.00 0.00 H new ATOM 420 N TYR A 51 2.186 -2.535 8.257 1.00 0.00 N ATOM 421 CA TYR A 51 2.385 -3.322 9.465 1.00 0.00 C ATOM 422 C TYR A 51 1.087 -3.988 9.911 1.00 0.00 C ATOM 423 O TYR A 51 0.115 -3.318 10.258 1.00 0.00 O ATOM 424 CB TYR A 51 2.936 -2.431 10.584 1.00 0.00 C ATOM 425 CG TYR A 51 3.105 -3.139 11.913 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.240 -3.896 12.184 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.129 -3.049 12.901 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.393 -4.543 13.396 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.276 -3.692 14.112 1.00 0.00 C ATOM 430 CZ TYR A 51 3.407 -4.437 14.356 1.00 0.00 C ATOM 431 OH TYR A 51 3.553 -5.074 15.567 1.00 0.00 O ATOM 0 H TYR A 51 1.958 -1.555 8.427 1.00 0.00 H new ATOM 0 HA TYR A 51 3.106 -4.109 9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.901 -2.030 10.273 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.267 -1.581 10.720 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.014 -3.980 11.436 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.240 -2.465 12.716 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.279 -5.128 13.591 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.507 -3.611 14.866 1.00 0.00 H new ATOM 0 HH TYR A 51 2.769 -4.895 16.127 1.00 0.00 H new ATOM 441 N LEU A 52 1.079 -5.310 9.882 1.00 0.00 N ATOM 442 CA LEU A 52 -0.047 -6.084 10.383 1.00 0.00 C ATOM 443 C LEU A 52 0.375 -6.851 11.636 1.00 0.00 C ATOM 444 O LEU A 52 1.485 -6.659 12.131 1.00 0.00 O ATOM 445 CB LEU A 52 -0.554 -7.064 9.315 1.00 0.00 C ATOM 446 CG LEU A 52 -1.048 -6.434 8.007 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.414 -7.522 7.010 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.243 -5.522 8.257 1.00 0.00 C ATOM 0 H LEU A 52 1.845 -5.874 9.514 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.858 -5.399 10.631 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.250 -7.761 9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.368 -7.649 9.744 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.242 -5.828 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.764 -7.065 6.084 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.537 -8.136 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.204 -8.147 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.573 -5.088 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.057 -6.100 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.955 -4.724 8.942 1.00 0.00 H new ATOM 460 N LYS A 53 -0.508 -7.717 12.134 1.00 0.00 N ATOM 461 CA LYS A 53 -0.224 -8.540 13.312 1.00 0.00 C ATOM 462 C LYS A 53 1.114 -9.270 13.182 1.00 0.00 C ATOM 463 O LYS A 53 1.952 -9.216 14.087 1.00 0.00 O ATOM 464 CB LYS A 53 -1.359 -9.553 13.522 1.00 0.00 C ATOM 465 CG LYS A 53 -1.051 -10.627 14.555 1.00 0.00 C ATOM 466 CD LYS A 53 -2.202 -11.609 14.694 1.00 0.00 C ATOM 467 CE LYS A 53 -1.834 -12.779 15.592 1.00 0.00 C ATOM 468 NZ LYS A 53 -0.736 -13.605 15.017 1.00 0.00 N ATOM 0 H LYS A 53 -1.435 -7.868 11.736 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.157 -7.879 14.176 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.258 -9.017 13.828 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.583 -10.034 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.147 -11.163 14.267 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.851 -10.160 15.519 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.072 -11.095 15.103 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.485 -11.980 13.709 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.531 -12.404 16.569 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.713 -13.404 15.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.710 -14.529 15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.903 -13.745 14.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.173 -13.119 15.155 1.00 0.00 H new ATOM 481 N ASP A 54 1.308 -9.942 12.053 1.00 0.00 N ATOM 482 CA ASP A 54 2.528 -10.709 11.812 1.00 0.00 C ATOM 483 C ASP A 54 3.723 -9.782 11.632 1.00 0.00 C ATOM 484 O ASP A 54 4.818 -10.052 12.125 1.00 0.00 O ATOM 485 CB ASP A 54 2.381 -11.581 10.562 1.00 0.00 C ATOM 486 CG ASP A 54 1.104 -12.392 10.552 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.080 -11.878 10.059 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.116 -13.545 11.031 1.00 0.00 O ATOM 0 H ASP A 54 0.635 -9.972 11.287 1.00 0.00 H new ATOM 0 HA ASP A 54 2.693 -11.346 12.681 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.408 -10.945 9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.234 -12.256 10.495 1.00 0.00 H new ATOM 493 N GLY A 55 3.496 -8.680 10.936 1.00 0.00 N ATOM 494 CA GLY A 55 4.573 -7.777 10.597 1.00 0.00 C ATOM 495 C GLY A 55 4.308 -7.071 9.284 1.00 0.00 C ATOM 496 O GLY A 55 3.147 -6.862 8.915 1.00 0.00 O ATOM 0 H GLY A 55 2.577 -8.394 10.598 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.695 -7.040 11.390 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.509 -8.332 10.531 1.00 0.00 H new ATOM 500 N TRP A 56 5.370 -6.723 8.571 1.00 0.00 N ATOM 501 CA TRP A 56 5.247 -5.989 7.315 1.00 0.00 C ATOM 502 C TRP A 56 4.691 -6.877 6.206 1.00 0.00 C ATOM 503 O TRP A 56 5.088 -8.032 6.057 1.00 0.00 O ATOM 504 CB TRP A 56 6.604 -5.418 6.898 1.00 0.00 C ATOM 505 CG TRP A 56 7.184 -4.476 7.909 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.188 -4.738 8.794 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.785 -3.124 8.147 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.435 -3.633 9.569 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.587 -2.627 9.190 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.827 -2.285 7.578 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.458 -1.328 9.675 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.701 -1.000 8.059 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.510 -0.531 9.096 1.00 0.00 C ATOM 0 H TRP A 56 6.330 -6.937 8.840 1.00 0.00 H new ATOM 0 HA TRP A 56 4.548 -5.169 7.475 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.302 -6.239 6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.495 -4.898 5.947 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.713 -5.679 8.873 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.136 -3.571 10.307 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.196 -2.636 6.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.083 -0.964 10.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.962 -0.343 7.625 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.384 0.482 9.448 1.00 0.00 H new ATOM 524 N HIS A 57 3.748 -6.331 5.452 1.00 0.00 N ATOM 525 CA HIS A 57 3.125 -7.045 4.346 1.00 0.00 C ATOM 526 C HIS A 57 2.940 -6.118 3.155 1.00 0.00 C ATOM 527 O HIS A 57 2.589 -4.950 3.318 1.00 0.00 O ATOM 528 CB HIS A 57 1.766 -7.618 4.762 1.00 0.00 C ATOM 529 CG HIS A 57 1.856 -8.804 5.672 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.108 -8.700 7.024 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.712 -10.126 5.418 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.112 -9.906 7.561 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.873 -10.787 6.608 1.00 0.00 N ATOM 0 H HIS A 57 3.394 -5.384 5.588 1.00 0.00 H new ATOM 0 HA HIS A 57 3.783 -7.867 4.065 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.190 -6.836 5.257 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.214 -7.902 3.866 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.266 -7.828 7.529 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.508 -10.576 4.457 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.282 -10.133 8.603 1.00 0.00 H new ATOM 541 N MET A 58 3.161 -6.650 1.965 1.00 0.00 N ATOM 542 CA MET A 58 3.056 -5.873 0.737 1.00 0.00 C ATOM 543 C MET A 58 1.601 -5.741 0.323 1.00 0.00 C ATOM 544 O MET A 58 0.849 -6.709 0.387 1.00 0.00 O ATOM 545 CB MET A 58 3.840 -6.549 -0.387 1.00 0.00 C ATOM 546 CG MET A 58 5.326 -6.679 -0.106 1.00 0.00 C ATOM 547 SD MET A 58 6.170 -7.726 -1.306 1.00 0.00 S ATOM 548 CE MET A 58 5.648 -6.963 -2.838 1.00 0.00 C ATOM 0 H MET A 58 3.417 -7.627 1.821 1.00 0.00 H new ATOM 0 HA MET A 58 3.472 -4.882 0.921 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.425 -7.542 -0.561 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.702 -5.980 -1.306 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.781 -5.688 -0.110 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.468 -7.091 0.893 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.197 -7.405 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.580 -7.126 -2.980 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.849 -5.892 -2.798 1.00 0.00 H new ATOM 558 N VAL A 59 1.205 -4.554 -0.099 1.00 0.00 N ATOM 559 CA VAL A 59 -0.160 -4.339 -0.554 1.00 0.00 C ATOM 560 C VAL A 59 -0.277 -4.632 -2.049 1.00 0.00 C ATOM 561 O VAL A 59 0.483 -4.096 -2.857 1.00 0.00 O ATOM 562 CB VAL A 59 -0.634 -2.893 -0.274 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.069 -2.690 -0.744 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.513 -2.562 1.206 1.00 0.00 C ATOM 0 H VAL A 59 1.803 -3.728 -0.137 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.799 -5.024 0.004 1.00 0.00 H new ATOM 0 HB VAL A 59 0.011 -2.216 -0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.379 -1.666 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.131 -2.877 -1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.726 -3.382 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.852 -1.541 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.128 -3.251 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.528 -2.657 1.516 1.00 0.00 H new ATOM 574 N CYS A 60 -1.207 -5.507 -2.408 1.00 0.00 N ATOM 575 CA CYS A 60 -1.485 -5.791 -3.809 1.00 0.00 C ATOM 576 C CYS A 60 -2.470 -4.752 -4.337 1.00 0.00 C ATOM 577 O CYS A 60 -3.450 -4.420 -3.666 1.00 0.00 O ATOM 578 CB CYS A 60 -2.058 -7.205 -3.966 1.00 0.00 C ATOM 579 SG CYS A 60 -1.979 -7.865 -5.664 1.00 0.00 S ATOM 0 H CYS A 60 -1.781 -6.032 -1.749 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.560 -5.740 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.517 -7.879 -3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.098 -7.201 -3.639 1.00 0.00 H new ATOM 584 N SER A 61 -2.196 -4.239 -5.536 1.00 0.00 N ATOM 585 CA SER A 61 -2.950 -3.116 -6.101 1.00 0.00 C ATOM 586 C SER A 61 -4.426 -3.450 -6.305 1.00 0.00 C ATOM 587 O SER A 61 -5.264 -2.555 -6.369 1.00 0.00 O ATOM 588 CB SER A 61 -2.325 -2.701 -7.432 1.00 0.00 C ATOM 589 OG SER A 61 -0.926 -2.504 -7.298 1.00 0.00 O ATOM 0 H SER A 61 -1.451 -4.586 -6.141 1.00 0.00 H new ATOM 0 HA SER A 61 -2.900 -2.294 -5.387 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.518 -3.467 -8.183 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.793 -1.783 -7.787 1.00 0.00 H new ATOM 0 HG SER A 61 -0.474 -3.373 -7.271 1.00 0.00 H new ATOM 595 N GLN A 62 -4.742 -4.734 -6.388 1.00 0.00 N ATOM 596 CA GLN A 62 -6.111 -5.176 -6.625 1.00 0.00 C ATOM 597 C GLN A 62 -6.898 -5.300 -5.319 1.00 0.00 C ATOM 598 O GLN A 62 -7.777 -6.151 -5.194 1.00 0.00 O ATOM 599 CB GLN A 62 -6.122 -6.520 -7.375 1.00 0.00 C ATOM 600 CG GLN A 62 -5.815 -6.413 -8.866 1.00 0.00 C ATOM 601 CD GLN A 62 -4.415 -5.900 -9.171 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.459 -6.156 -8.436 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.291 -5.158 -10.260 1.00 0.00 N ATOM 0 H GLN A 62 -4.066 -5.492 -6.294 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.597 -4.419 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.393 -7.186 -6.913 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.101 -6.984 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.940 -7.394 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.544 -5.749 -9.331 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.106 -4.968 -10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.380 -4.776 -10.516 1.00 0.00 H new ATOM 612 N SER A 63 -6.589 -4.448 -4.351 1.00 0.00 N ATOM 613 CA SER A 63 -7.290 -4.462 -3.073 1.00 0.00 C ATOM 614 C SER A 63 -8.466 -3.485 -3.081 1.00 0.00 C ATOM 615 O SER A 63 -8.463 -2.503 -3.829 1.00 0.00 O ATOM 616 CB SER A 63 -6.325 -4.111 -1.936 1.00 0.00 C ATOM 617 OG SER A 63 -5.339 -5.117 -1.783 1.00 0.00 O ATOM 0 H SER A 63 -5.859 -3.739 -4.425 1.00 0.00 H new ATOM 0 HA SER A 63 -7.681 -5.467 -2.913 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.845 -3.154 -2.143 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.880 -3.995 -1.005 1.00 0.00 H new ATOM 0 HG SER A 63 -4.561 -4.900 -2.338 1.00 0.00 H new ATOM 623 N TRP A 64 -9.459 -3.774 -2.235 1.00 0.00 N ATOM 624 CA TRP A 64 -10.668 -2.960 -2.096 1.00 0.00 C ATOM 625 C TRP A 64 -11.401 -2.819 -3.427 1.00 0.00 C ATOM 626 O TRP A 64 -12.208 -3.671 -3.803 1.00 0.00 O ATOM 627 CB TRP A 64 -10.346 -1.569 -1.527 1.00 0.00 C ATOM 628 CG TRP A 64 -9.629 -1.602 -0.210 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.154 -1.938 1.004 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.254 -1.268 0.027 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.190 -1.838 1.978 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.016 -1.429 1.404 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.202 -0.852 -0.794 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.768 -1.187 1.975 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.966 -0.611 -0.225 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.759 -0.781 1.147 1.00 0.00 C ATOM 0 H TRP A 64 -9.445 -4.589 -1.621 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.321 -3.479 -1.394 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.736 -1.025 -2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.275 -1.011 -1.410 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.177 -2.238 1.174 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.327 -2.036 2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.353 -0.721 -1.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.604 -1.316 3.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.147 -0.286 -0.850 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.781 -0.587 1.562 1.00 0.00 H new ATOM 647 N GLY A 65 -11.095 -1.751 -4.140 1.00 0.00 N ATOM 648 CA GLY A 65 -11.706 -1.504 -5.426 1.00 0.00 C ATOM 649 C GLY A 65 -10.813 -0.667 -6.311 1.00 0.00 C ATOM 650 O GLY A 65 -11.285 0.214 -7.026 1.00 0.00 O ATOM 0 H GLY A 65 -10.424 -1.041 -3.846 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.920 -2.453 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.660 -0.996 -5.285 1.00 0.00 H new ATOM 654 N ARG A 66 -9.517 -0.938 -6.253 1.00 0.00 N ATOM 655 CA ARG A 66 -8.543 -0.166 -7.006 1.00 0.00 C ATOM 656 C ARG A 66 -8.190 -0.884 -8.300 1.00 0.00 C ATOM 657 O ARG A 66 -7.879 -2.075 -8.295 1.00 0.00 O ATOM 658 CB ARG A 66 -7.276 0.055 -6.169 1.00 0.00 C ATOM 659 CG ARG A 66 -7.533 0.704 -4.817 1.00 0.00 C ATOM 660 CD ARG A 66 -7.805 2.197 -4.936 1.00 0.00 C ATOM 661 NE ARG A 66 -6.591 2.958 -5.225 1.00 0.00 N ATOM 662 CZ ARG A 66 -6.348 4.172 -4.734 1.00 0.00 C ATOM 663 NH1 ARG A 66 -7.230 4.752 -3.933 1.00 0.00 N ATOM 664 NH2 ARG A 66 -5.225 4.804 -5.032 1.00 0.00 N ATOM 0 H ARG A 66 -9.116 -1.689 -5.691 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.980 0.803 -7.246 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.785 -0.905 -6.012 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.584 0.679 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.384 0.219 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.671 0.544 -4.170 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.536 2.370 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.247 2.559 -4.008 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.892 2.536 -5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.095 4.269 -3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.044 5.682 -3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.537 4.362 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.047 5.734 -4.652 1.00 0.00 H new ATOM 677 N SER A 67 -8.270 -0.161 -9.403 1.00 0.00 N ATOM 678 CA SER A 67 -7.889 -0.694 -10.697 1.00 0.00 C ATOM 679 C SER A 67 -6.372 -0.668 -10.840 1.00 0.00 C ATOM 680 O SER A 67 -5.685 0.043 -10.102 1.00 0.00 O ATOM 681 CB SER A 67 -8.528 0.143 -11.803 1.00 0.00 C ATOM 682 OG SER A 67 -9.903 0.369 -11.543 1.00 0.00 O ATOM 0 H SER A 67 -8.598 0.804 -9.427 1.00 0.00 H new ATOM 0 HA SER A 67 -8.236 -1.724 -10.779 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.009 1.098 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.415 -0.366 -12.760 1.00 0.00 H new ATOM 0 HG SER A 67 -10.324 0.767 -12.333 1.00 0.00 H new ATOM 688 N SER A 68 -5.849 -1.430 -11.794 1.00 0.00 N ATOM 689 CA SER A 68 -4.417 -1.461 -12.046 1.00 0.00 C ATOM 690 C SER A 68 -4.011 -0.232 -12.864 1.00 0.00 C ATOM 691 O SER A 68 -3.543 -0.340 -13.999 1.00 0.00 O ATOM 692 CB SER A 68 -4.037 -2.756 -12.773 1.00 0.00 C ATOM 693 OG SER A 68 -2.643 -3.018 -12.679 1.00 0.00 O ATOM 0 H SER A 68 -6.398 -2.035 -12.405 1.00 0.00 H new ATOM 0 HA SER A 68 -3.881 -1.437 -11.097 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.594 -3.590 -12.347 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.324 -2.683 -13.822 1.00 0.00 H new ATOM 0 HG SER A 68 -2.434 -3.851 -13.151 1.00 0.00 H new ATOM 699 N LYS A 69 -4.206 0.934 -12.266 1.00 0.00 N ATOM 700 CA LYS A 69 -3.938 2.210 -12.912 1.00 0.00 C ATOM 701 C LYS A 69 -3.692 3.266 -11.843 1.00 0.00 C ATOM 702 O LYS A 69 -3.896 3.004 -10.655 1.00 0.00 O ATOM 703 CB LYS A 69 -5.141 2.629 -13.777 1.00 0.00 C ATOM 704 CG LYS A 69 -6.417 2.850 -12.972 1.00 0.00 C ATOM 705 CD LYS A 69 -7.559 3.373 -13.833 1.00 0.00 C ATOM 706 CE LYS A 69 -8.814 3.603 -13.001 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.941 4.143 -13.809 1.00 0.00 N ATOM 0 H LYS A 69 -4.557 1.022 -11.312 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.060 2.113 -13.550 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.893 3.546 -14.311 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.323 1.862 -14.529 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.717 1.912 -12.505 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.218 3.557 -12.167 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.260 4.306 -14.311 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.773 2.661 -14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.119 2.663 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.587 4.296 -12.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.771 4.282 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.663 5.053 -14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.178 3.471 -14.567 1.00 0.00 H new ATOM 720 N GLN A 70 -3.251 4.448 -12.256 1.00 0.00 N ATOM 721 CA GLN A 70 -3.169 5.582 -11.350 1.00 0.00 C ATOM 722 C GLN A 70 -4.578 6.037 -10.990 1.00 0.00 C ATOM 723 O GLN A 70 -5.306 6.555 -11.839 1.00 0.00 O ATOM 724 CB GLN A 70 -2.373 6.739 -11.980 1.00 0.00 C ATOM 725 CG GLN A 70 -2.544 8.081 -11.270 1.00 0.00 C ATOM 726 CD GLN A 70 -1.955 8.125 -9.869 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.876 7.113 -9.164 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.547 9.313 -9.448 1.00 0.00 N ATOM 0 H GLN A 70 -2.946 4.644 -13.209 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.642 5.275 -10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.315 6.476 -11.985 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -2.679 6.850 -13.020 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.077 8.860 -11.873 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -3.607 8.316 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.628 10.126 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.152 9.415 -8.513 1.00 0.00 H new ATOM 737 N TRP A 71 -4.966 5.811 -9.745 1.00 0.00 N ATOM 738 CA TRP A 71 -6.294 6.176 -9.286 1.00 0.00 C ATOM 739 C TRP A 71 -6.384 7.690 -9.142 1.00 0.00 C ATOM 740 O TRP A 71 -5.419 8.337 -8.731 1.00 0.00 O ATOM 741 CB TRP A 71 -6.597 5.485 -7.955 1.00 0.00 C ATOM 742 CG TRP A 71 -8.024 5.618 -7.510 1.00 0.00 C ATOM 743 CD1 TRP A 71 -8.513 6.476 -6.571 1.00 0.00 C ATOM 744 CD2 TRP A 71 -9.145 4.863 -7.984 1.00 0.00 C ATOM 745 NE1 TRP A 71 -9.866 6.301 -6.428 1.00 0.00 N ATOM 746 CE2 TRP A 71 -10.280 5.318 -7.286 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.300 3.848 -8.930 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -11.550 4.790 -7.507 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.559 3.327 -9.147 1.00 0.00 C ATOM 750 CH2 TRP A 71 -11.669 3.799 -8.439 1.00 0.00 C ATOM 0 H TRP A 71 -4.378 5.376 -9.034 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.034 5.849 -10.016 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.351 4.427 -8.043 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.947 5.900 -7.185 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.921 7.191 -6.019 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.466 6.819 -5.786 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.449 3.477 -9.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.409 5.151 -6.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -10.690 2.541 -9.876 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -12.641 3.371 -8.634 1.00 0.00 H new ATOM 761 N GLU A 72 -7.543 8.244 -9.478 1.00 0.00 N ATOM 762 CA GLU A 72 -7.731 9.695 -9.526 1.00 0.00 C ATOM 763 C GLU A 72 -7.698 10.346 -8.140 1.00 0.00 C ATOM 764 O GLU A 72 -7.793 11.571 -8.022 1.00 0.00 O ATOM 765 CB GLU A 72 -9.047 10.020 -10.233 1.00 0.00 C ATOM 766 CG GLU A 72 -9.000 9.774 -11.735 1.00 0.00 C ATOM 767 CD GLU A 72 -10.374 9.741 -12.364 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.027 10.807 -12.448 1.00 0.00 O ATOM 769 OE2 GLU A 72 -10.817 8.647 -12.765 1.00 0.00 O ATOM 0 H GLU A 72 -8.375 7.708 -9.724 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.894 10.112 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.844 9.417 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.301 11.064 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.407 10.556 -12.209 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.494 8.828 -11.928 1.00 0.00 H new ATOM 776 N ASP A 73 -7.567 9.540 -7.097 1.00 0.00 N ATOM 777 CA ASP A 73 -7.399 10.070 -5.749 1.00 0.00 C ATOM 778 C ASP A 73 -6.469 9.187 -4.924 1.00 0.00 C ATOM 779 O ASP A 73 -6.877 8.148 -4.400 1.00 0.00 O ATOM 780 CB ASP A 73 -8.737 10.213 -5.026 1.00 0.00 C ATOM 781 CG ASP A 73 -8.552 10.814 -3.646 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.088 11.969 -3.560 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.841 10.130 -2.646 1.00 0.00 O ATOM 0 H ASP A 73 -7.573 8.522 -7.155 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.955 11.060 -5.854 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.405 10.843 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.213 9.236 -4.940 1.00 0.00 H new ATOM 788 N PRO A 74 -5.190 9.571 -4.823 1.00 0.00 N ATOM 789 CA PRO A 74 -4.217 8.886 -3.985 1.00 0.00 C ATOM 790 C PRO A 74 -4.099 9.525 -2.601 1.00 0.00 C ATOM 791 O PRO A 74 -3.332 9.068 -1.754 1.00 0.00 O ATOM 792 CB PRO A 74 -2.932 9.081 -4.780 1.00 0.00 C ATOM 793 CG PRO A 74 -3.083 10.424 -5.415 1.00 0.00 C ATOM 794 CD PRO A 74 -4.568 10.687 -5.556 1.00 0.00 C ATOM 0 HA PRO A 74 -4.475 7.845 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.056 9.045 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.807 8.300 -5.530 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.612 11.194 -4.804 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.594 10.447 -6.389 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.846 11.651 -5.130 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.875 10.700 -6.602 1.00 0.00 H new ATOM 802 N SER A 75 -4.893 10.570 -2.383 1.00 0.00 N ATOM 803 CA SER A 75 -4.814 11.388 -1.180 1.00 0.00 C ATOM 804 C SER A 75 -5.149 10.595 0.079 1.00 0.00 C ATOM 805 O SER A 75 -4.791 10.997 1.187 1.00 0.00 O ATOM 806 CB SER A 75 -5.775 12.563 -1.315 1.00 0.00 C ATOM 807 OG SER A 75 -5.834 13.009 -2.661 1.00 0.00 O ATOM 0 H SER A 75 -5.612 10.873 -3.040 1.00 0.00 H new ATOM 0 HA SER A 75 -3.787 11.740 -1.079 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.769 12.267 -0.981 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.452 13.380 -0.670 1.00 0.00 H new ATOM 0 HG SER A 75 -6.751 12.921 -2.995 1.00 0.00 H new ATOM 813 N GLN A 76 -5.833 9.470 -0.094 1.00 0.00 N ATOM 814 CA GLN A 76 -6.226 8.622 1.024 1.00 0.00 C ATOM 815 C GLN A 76 -5.022 8.215 1.877 1.00 0.00 C ATOM 816 O GLN A 76 -5.139 8.061 3.092 1.00 0.00 O ATOM 817 CB GLN A 76 -6.955 7.378 0.506 1.00 0.00 C ATOM 818 CG GLN A 76 -8.305 7.687 -0.120 1.00 0.00 C ATOM 819 CD GLN A 76 -9.280 8.278 0.881 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.340 9.494 1.067 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.052 7.423 1.528 1.00 0.00 N ATOM 0 H GLN A 76 -6.129 9.122 -1.006 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.899 9.197 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.327 6.878 -0.231 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.096 6.679 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.169 8.384 -0.947 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.727 6.773 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.971 6.423 1.345 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.729 7.763 2.211 1.00 0.00 H new ATOM 830 N ALA A 77 -3.860 8.096 1.246 1.00 0.00 N ATOM 831 CA ALA A 77 -2.658 7.625 1.931 1.00 0.00 C ATOM 832 C ALA A 77 -1.857 8.787 2.520 1.00 0.00 C ATOM 833 O ALA A 77 -0.659 8.662 2.778 1.00 0.00 O ATOM 834 CB ALA A 77 -1.792 6.816 0.973 1.00 0.00 C ATOM 0 H ALA A 77 -3.723 8.319 0.260 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.971 6.986 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.899 6.470 1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.356 5.957 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.501 7.442 0.129 1.00 0.00 H new ATOM 840 N SER A 78 -2.534 9.908 2.739 1.00 0.00 N ATOM 841 CA SER A 78 -1.897 11.116 3.256 1.00 0.00 C ATOM 842 C SER A 78 -1.143 10.842 4.558 1.00 0.00 C ATOM 843 O SER A 78 0.030 11.197 4.690 1.00 0.00 O ATOM 844 CB SER A 78 -2.951 12.202 3.482 1.00 0.00 C ATOM 845 OG SER A 78 -2.355 13.447 3.800 1.00 0.00 O ATOM 0 H SER A 78 -3.534 10.007 2.565 1.00 0.00 H new ATOM 0 HA SER A 78 -1.172 11.456 2.516 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.563 12.309 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.618 11.900 4.289 1.00 0.00 H new ATOM 0 HG SER A 78 -3.055 14.119 3.937 1.00 0.00 H new ATOM 851 N LYS A 79 -1.807 10.188 5.508 1.00 0.00 N ATOM 852 CA LYS A 79 -1.217 9.939 6.819 1.00 0.00 C ATOM 853 C LYS A 79 0.020 9.049 6.728 1.00 0.00 C ATOM 854 O LYS A 79 0.907 9.133 7.574 1.00 0.00 O ATOM 855 CB LYS A 79 -2.247 9.333 7.775 1.00 0.00 C ATOM 856 CG LYS A 79 -3.335 10.315 8.184 1.00 0.00 C ATOM 857 CD LYS A 79 -2.746 11.559 8.837 1.00 0.00 C ATOM 858 CE LYS A 79 -2.098 11.246 10.179 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.092 11.222 11.283 1.00 0.00 N ATOM 0 H LYS A 79 -2.752 9.822 5.394 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.899 10.903 7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.708 8.467 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.737 8.973 8.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.915 10.603 7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.023 9.830 8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.005 12.002 8.171 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.532 12.301 8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.595 10.281 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.333 11.992 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.610 11.006 12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.554 12.151 11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.808 10.493 11.090 1.00 0.00 H new ATOM 872 N VAL A 80 0.089 8.219 5.693 1.00 0.00 N ATOM 873 CA VAL A 80 1.273 7.397 5.466 1.00 0.00 C ATOM 874 C VAL A 80 2.446 8.289 5.097 1.00 0.00 C ATOM 875 O VAL A 80 3.507 8.230 5.718 1.00 0.00 O ATOM 876 CB VAL A 80 1.057 6.353 4.346 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.339 5.568 4.081 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.082 5.412 4.704 1.00 0.00 C ATOM 0 H VAL A 80 -0.653 8.098 5.004 1.00 0.00 H new ATOM 0 HA VAL A 80 1.477 6.856 6.390 1.00 0.00 H new ATOM 0 HB VAL A 80 0.790 6.885 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.163 4.840 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.129 6.254 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.643 5.049 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.218 4.685 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.155 4.891 5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.000 5.985 4.834 1.00 0.00 H new ATOM 888 N CYS A 81 2.226 9.140 4.103 1.00 0.00 N ATOM 889 CA CYS A 81 3.245 10.072 3.647 1.00 0.00 C ATOM 890 C CYS A 81 3.721 10.955 4.797 1.00 0.00 C ATOM 891 O CYS A 81 4.918 11.189 4.957 1.00 0.00 O ATOM 892 CB CYS A 81 2.693 10.938 2.510 1.00 0.00 C ATOM 893 SG CYS A 81 2.081 9.995 1.074 1.00 0.00 S ATOM 0 H CYS A 81 1.344 9.203 3.595 1.00 0.00 H new ATOM 0 HA CYS A 81 4.096 9.500 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 81 1.881 11.552 2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.476 11.619 2.175 1.00 0.00 H new ATOM 898 N GLN A 82 2.778 11.417 5.617 1.00 0.00 N ATOM 899 CA GLN A 82 3.097 12.296 6.737 1.00 0.00 C ATOM 900 C GLN A 82 3.907 11.563 7.809 1.00 0.00 C ATOM 901 O GLN A 82 4.845 12.124 8.371 1.00 0.00 O ATOM 902 CB GLN A 82 1.818 12.882 7.339 1.00 0.00 C ATOM 903 CG GLN A 82 0.978 13.653 6.333 1.00 0.00 C ATOM 904 CD GLN A 82 -0.220 14.329 6.965 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.754 13.866 7.976 1.00 0.00 O ATOM 906 NE2 GLN A 82 -0.660 15.421 6.365 1.00 0.00 N ATOM 0 H GLN A 82 1.786 11.196 5.525 1.00 0.00 H new ATOM 0 HA GLN A 82 3.711 13.112 6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.219 12.074 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.083 13.544 8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.600 14.405 5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.636 12.972 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.188 15.770 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.471 15.915 6.736 1.00 0.00 H new ATOM 915 N ARG A 83 3.560 10.303 8.076 1.00 0.00 N ATOM 916 CA ARG A 83 4.306 9.498 9.050 1.00 0.00 C ATOM 917 C ARG A 83 5.725 9.213 8.556 1.00 0.00 C ATOM 918 O ARG A 83 6.631 8.949 9.347 1.00 0.00 O ATOM 919 CB ARG A 83 3.586 8.177 9.353 1.00 0.00 C ATOM 920 CG ARG A 83 2.450 8.286 10.370 1.00 0.00 C ATOM 921 CD ARG A 83 2.962 8.637 11.766 1.00 0.00 C ATOM 922 NE ARG A 83 1.965 8.356 12.804 1.00 0.00 N ATOM 923 CZ ARG A 83 2.121 8.649 14.098 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.186 9.315 14.517 1.00 0.00 N ATOM 925 NH2 ARG A 83 1.195 8.297 14.976 1.00 0.00 N ATOM 0 H ARG A 83 2.776 9.820 7.638 1.00 0.00 H new ATOM 0 HA ARG A 83 4.364 10.079 9.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.185 7.776 8.422 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.317 7.457 9.721 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.742 9.047 10.042 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.907 7.341 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.870 8.070 11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.231 9.693 11.798 1.00 0.00 H new ATOM 0 HE ARG A 83 1.095 7.907 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.898 9.610 13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.294 9.533 15.508 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.360 7.801 14.665 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.317 8.522 15.963 1.00 0.00 H new ATOM 938 N LEU A 84 5.917 9.263 7.243 1.00 0.00 N ATOM 939 CA LEU A 84 7.246 9.094 6.664 1.00 0.00 C ATOM 940 C LEU A 84 7.932 10.445 6.475 1.00 0.00 C ATOM 941 O LEU A 84 9.007 10.531 5.881 1.00 0.00 O ATOM 942 CB LEU A 84 7.177 8.350 5.329 1.00 0.00 C ATOM 943 CG LEU A 84 7.172 6.819 5.427 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.903 6.310 6.090 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.335 6.203 4.049 1.00 0.00 C ATOM 0 H LEU A 84 5.174 9.418 6.562 1.00 0.00 H new ATOM 0 HA LEU A 84 7.834 8.497 7.361 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.276 8.666 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.027 8.655 4.718 1.00 0.00 H new ATOM 0 HG LEU A 84 8.015 6.520 6.050 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.932 5.222 6.144 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.828 6.721 7.097 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.037 6.622 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.330 5.116 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.512 6.521 3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.280 6.529 3.614 1.00 0.00 H new ATOM 957 N ASN A 85 7.298 11.491 7.006 1.00 0.00 N ATOM 958 CA ASN A 85 7.814 12.858 6.931 1.00 0.00 C ATOM 959 C ASN A 85 7.947 13.326 5.483 1.00 0.00 C ATOM 960 O ASN A 85 8.927 13.968 5.107 1.00 0.00 O ATOM 961 CB ASN A 85 9.152 12.993 7.668 1.00 0.00 C ATOM 962 CG ASN A 85 9.022 12.750 9.163 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.715 13.662 9.931 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.264 11.518 9.586 1.00 0.00 N ATOM 0 H ASN A 85 6.410 11.414 7.502 1.00 0.00 H new ATOM 0 HA ASN A 85 7.089 13.503 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.867 12.284 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.557 13.991 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.199 11.298 10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.516 10.790 8.918 1.00 0.00 H new ATOM 971 N CYS A 86 6.956 12.990 4.677 1.00 0.00 N ATOM 972 CA CYS A 86 6.883 13.475 3.310 1.00 0.00 C ATOM 973 C CYS A 86 5.692 14.413 3.169 1.00 0.00 C ATOM 974 O CYS A 86 4.969 14.644 4.139 1.00 0.00 O ATOM 975 CB CYS A 86 6.749 12.309 2.326 1.00 0.00 C ATOM 976 SG CYS A 86 8.215 11.235 2.209 1.00 0.00 S ATOM 0 H CYS A 86 6.186 12.379 4.948 1.00 0.00 H new ATOM 0 HA CYS A 86 7.802 14.013 3.079 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.893 11.701 2.620 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.530 12.710 1.336 1.00 0.00 H new ATOM 981 N GLY A 87 5.489 14.951 1.982 1.00 0.00 N ATOM 982 CA GLY A 87 4.350 15.817 1.754 1.00 0.00 C ATOM 983 C GLY A 87 3.083 15.037 1.445 1.00 0.00 C ATOM 984 O GLY A 87 2.824 13.996 2.049 1.00 0.00 O ATOM 0 H GLY A 87 6.090 14.806 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.186 16.437 2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.569 16.491 0.926 1.00 0.00 H new ATOM 988 N ASP A 88 2.299 15.540 0.504 1.00 0.00 N ATOM 989 CA ASP A 88 1.061 14.879 0.094 1.00 0.00 C ATOM 990 C ASP A 88 1.356 13.767 -0.912 1.00 0.00 C ATOM 991 O ASP A 88 2.422 13.751 -1.535 1.00 0.00 O ATOM 992 CB ASP A 88 0.080 15.899 -0.503 1.00 0.00 C ATOM 993 CG ASP A 88 -0.759 16.594 0.555 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.193 17.361 1.364 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.993 16.375 0.588 1.00 0.00 O ATOM 0 H ASP A 88 2.496 16.408 0.005 1.00 0.00 H new ATOM 0 HA ASP A 88 0.600 14.432 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.638 16.646 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.579 15.393 -1.209 1.00 0.00 H new ATOM 1000 N PRO A 89 0.423 12.810 -1.068 1.00 0.00 N ATOM 1001 CA PRO A 89 0.590 11.674 -1.977 1.00 0.00 C ATOM 1002 C PRO A 89 0.445 12.077 -3.442 1.00 0.00 C ATOM 1003 O PRO A 89 -0.483 12.802 -3.814 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.535 10.704 -1.580 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.181 11.286 -0.368 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.866 12.753 -0.377 1.00 0.00 C ATOM 0 HA PRO A 89 1.587 11.241 -1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.256 10.593 -2.390 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.136 9.712 -1.370 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.258 11.121 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.801 10.814 0.538 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.630 13.326 -0.901 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.801 13.158 0.633 1.00 0.00 H new ATOM 1014 N LEU A 90 1.367 11.590 -4.266 1.00 0.00 N ATOM 1015 CA LEU A 90 1.379 11.897 -5.689 1.00 0.00 C ATOM 1016 C LEU A 90 0.673 10.787 -6.466 1.00 0.00 C ATOM 1017 O LEU A 90 -0.269 11.042 -7.217 1.00 0.00 O ATOM 1018 CB LEU A 90 2.830 12.062 -6.177 1.00 0.00 C ATOM 1019 CG LEU A 90 3.033 12.964 -7.402 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.513 13.254 -7.596 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.457 12.329 -8.659 1.00 0.00 C ATOM 0 H LEU A 90 2.123 10.974 -3.967 1.00 0.00 H new ATOM 0 HA LEU A 90 0.847 12.833 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.425 12.461 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.228 11.074 -6.409 1.00 0.00 H new ATOM 0 HG LEU A 90 2.502 13.899 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.647 13.895 -8.468 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.904 13.758 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.050 12.318 -7.748 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.617 12.993 -9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.952 11.376 -8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.388 12.162 -8.525 1.00 0.00 H new ATOM 1033 N SER A 91 1.120 9.556 -6.274 1.00 0.00 N ATOM 1034 CA SER A 91 0.535 8.417 -6.961 1.00 0.00 C ATOM 1035 C SER A 91 0.384 7.232 -6.014 1.00 0.00 C ATOM 1036 O SER A 91 1.177 7.061 -5.085 1.00 0.00 O ATOM 1037 CB SER A 91 1.383 8.041 -8.177 1.00 0.00 C ATOM 1038 OG SER A 91 2.752 7.940 -7.836 1.00 0.00 O ATOM 0 H SER A 91 1.888 9.320 -5.646 1.00 0.00 H new ATOM 0 HA SER A 91 -0.460 8.695 -7.308 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.037 7.092 -8.585 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.255 8.790 -8.958 1.00 0.00 H new ATOM 0 HG SER A 91 3.270 7.697 -8.631 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.644 6.430 -6.250 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.945 5.283 -5.404 1.00 0.00 C ATOM 1046 C LEU A 92 -1.581 4.182 -6.248 1.00 0.00 C ATOM 1047 O LEU A 92 -2.808 4.098 -6.360 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.894 5.701 -4.272 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.245 4.613 -3.249 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.031 4.236 -2.419 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.375 5.077 -2.341 1.00 0.00 C ATOM 0 H LEU A 92 -1.290 6.554 -7.029 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.022 4.906 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.445 6.540 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.820 6.065 -4.717 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.575 3.731 -3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.307 3.463 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.245 3.860 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.668 5.114 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.610 4.292 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.067 5.977 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.258 5.295 -2.942 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.741 3.356 -6.851 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.224 2.315 -7.742 1.00 0.00 C ATOM 1065 C GLY A 93 -0.149 1.288 -8.034 1.00 0.00 C ATOM 1066 O GLY A 93 0.844 1.232 -7.318 1.00 0.00 O ATOM 0 H GLY A 93 0.273 3.386 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.086 1.822 -7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.563 2.763 -8.676 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.305 0.467 -9.083 1.00 0.00 N ATOM 1071 CA PRO A 94 0.683 -0.564 -9.427 1.00 0.00 C ATOM 1072 C PRO A 94 1.986 0.036 -9.956 1.00 0.00 C ATOM 1073 O PRO A 94 2.126 0.288 -11.152 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.018 -1.376 -10.518 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.992 -0.431 -11.129 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.446 0.475 -10.016 1.00 0.00 C ATOM 0 HA PRO A 94 0.976 -1.156 -8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.694 -1.743 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.522 -2.248 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.529 0.141 -11.933 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.835 -0.967 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.662 1.480 -10.379 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.355 0.105 -9.542 1.00 0.00 H new ATOM 1084 N PHE A 95 2.937 0.262 -9.058 1.00 0.00 N ATOM 1085 CA PHE A 95 4.203 0.883 -9.429 1.00 0.00 C ATOM 1086 C PHE A 95 5.194 -0.177 -9.889 1.00 0.00 C ATOM 1087 O PHE A 95 6.108 0.102 -10.666 1.00 0.00 O ATOM 1088 CB PHE A 95 4.782 1.662 -8.241 1.00 0.00 C ATOM 1089 CG PHE A 95 5.905 2.597 -8.605 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.636 3.845 -9.143 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.228 2.229 -8.406 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.663 4.709 -9.477 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.259 3.088 -8.737 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.975 4.329 -9.274 1.00 0.00 C ATOM 0 H PHE A 95 2.856 0.025 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 95 4.022 1.577 -10.250 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.983 2.237 -7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.142 0.952 -7.496 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.612 4.147 -9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.455 1.260 -7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.439 5.679 -9.896 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.284 2.790 -8.576 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.779 5.002 -9.535 1.00 0.00 H new ATOM 1104 N LEU A 96 5.005 -1.399 -9.409 1.00 0.00 N ATOM 1105 CA LEU A 96 5.904 -2.490 -9.745 1.00 0.00 C ATOM 1106 C LEU A 96 5.124 -3.693 -10.254 1.00 0.00 C ATOM 1107 O LEU A 96 4.072 -4.043 -9.715 1.00 0.00 O ATOM 1108 CB LEU A 96 6.757 -2.906 -8.536 1.00 0.00 C ATOM 1109 CG LEU A 96 7.667 -1.817 -7.955 1.00 0.00 C ATOM 1110 CD1 LEU A 96 6.931 -0.997 -6.907 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.932 -2.427 -7.369 1.00 0.00 C ATOM 0 H LEU A 96 4.239 -1.657 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 96 6.568 -2.132 -10.532 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.090 -3.255 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.377 -3.754 -8.827 1.00 0.00 H new ATOM 0 HG LEU A 96 7.954 -1.149 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.598 -0.231 -6.510 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.062 -0.521 -7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.605 -1.650 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.563 -1.636 -6.963 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.666 -3.123 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.475 -2.959 -8.150 1.00 0.00 H new ATOM 1123 N LYS A 97 5.655 -4.330 -11.287 1.00 0.00 N ATOM 1124 CA LYS A 97 5.040 -5.519 -11.866 1.00 0.00 C ATOM 1125 C LYS A 97 5.598 -6.766 -11.183 1.00 0.00 C ATOM 1126 O LYS A 97 5.602 -7.865 -11.739 1.00 0.00 O ATOM 1127 CB LYS A 97 5.306 -5.561 -13.378 1.00 0.00 C ATOM 1128 CG LYS A 97 4.385 -6.495 -14.146 1.00 0.00 C ATOM 1129 CD LYS A 97 4.688 -6.468 -15.634 1.00 0.00 C ATOM 1130 CE LYS A 97 3.726 -7.343 -16.418 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.318 -6.883 -16.278 1.00 0.00 N ATOM 0 H LYS A 97 6.519 -4.041 -11.746 1.00 0.00 H new ATOM 0 HA LYS A 97 3.962 -5.487 -11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.203 -4.554 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.338 -5.868 -13.546 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.497 -7.511 -13.768 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.348 -6.205 -13.979 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.628 -5.443 -15.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.710 -6.807 -15.804 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.007 -7.338 -17.471 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.808 -8.373 -16.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.748 -7.636 -15.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.288 -6.035 -15.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.932 -6.656 -17.217 1.00 0.00 H new ATOM 1144 N THR A 98 6.074 -6.573 -9.965 1.00 0.00 N ATOM 1145 CA THR A 98 6.664 -7.643 -9.185 1.00 0.00 C ATOM 1146 C THR A 98 5.579 -8.518 -8.549 1.00 0.00 C ATOM 1147 O THR A 98 4.595 -8.008 -8.002 1.00 0.00 O ATOM 1148 CB THR A 98 7.575 -7.051 -8.090 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.454 -6.078 -8.676 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.403 -8.128 -7.402 1.00 0.00 C ATOM 0 H THR A 98 6.062 -5.670 -9.491 1.00 0.00 H new ATOM 0 HA THR A 98 7.259 -8.268 -9.851 1.00 0.00 H new ATOM 0 HB THR A 98 6.938 -6.585 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.033 -5.699 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.031 -7.671 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.739 -8.857 -6.938 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.033 -8.628 -8.138 1.00 0.00 H new ATOM 1158 N TYR A 99 5.764 -9.829 -8.642 1.00 0.00 N ATOM 1159 CA TYR A 99 4.841 -10.792 -8.058 1.00 0.00 C ATOM 1160 C TYR A 99 5.483 -11.441 -6.839 1.00 0.00 C ATOM 1161 O TYR A 99 6.554 -12.036 -6.939 1.00 0.00 O ATOM 1162 CB TYR A 99 4.464 -11.874 -9.078 1.00 0.00 C ATOM 1163 CG TYR A 99 3.448 -11.434 -10.115 1.00 0.00 C ATOM 1164 CD1 TYR A 99 3.755 -10.467 -11.066 1.00 0.00 C ATOM 1165 CD2 TYR A 99 2.176 -11.995 -10.142 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.824 -10.070 -12.008 1.00 0.00 C ATOM 1167 CE2 TYR A 99 1.242 -11.604 -11.081 1.00 0.00 C ATOM 1168 CZ TYR A 99 1.569 -10.643 -12.012 1.00 0.00 C ATOM 1169 OH TYR A 99 0.633 -10.247 -12.943 1.00 0.00 O ATOM 0 H TYR A 99 6.557 -10.253 -9.124 1.00 0.00 H new ATOM 0 HA TYR A 99 3.934 -10.265 -7.761 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.368 -12.203 -9.590 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.068 -12.737 -8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.737 -10.018 -11.069 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.914 -12.750 -9.416 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.078 -9.315 -12.737 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.258 -12.050 -11.085 1.00 0.00 H new ATOM 0 HH TYR A 99 -0.197 -10.750 -12.807 1.00 0.00 H new ATOM 1179 N THR A 100 4.849 -11.306 -5.687 1.00 0.00 N ATOM 1180 CA THR A 100 5.364 -11.911 -4.468 1.00 0.00 C ATOM 1181 C THR A 100 4.253 -12.657 -3.724 1.00 0.00 C ATOM 1182 O THR A 100 3.636 -12.124 -2.797 1.00 0.00 O ATOM 1183 CB THR A 100 5.991 -10.849 -3.544 1.00 0.00 C ATOM 1184 OG1 THR A 100 6.866 -10.004 -4.305 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.777 -11.505 -2.416 1.00 0.00 C ATOM 0 H THR A 100 3.980 -10.785 -5.569 1.00 0.00 H new ATOM 0 HA THR A 100 6.139 -12.623 -4.753 1.00 0.00 H new ATOM 0 HB THR A 100 5.187 -10.255 -3.109 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.262 -9.329 -3.716 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.210 -10.734 -1.778 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.110 -12.133 -1.825 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.574 -12.118 -2.837 1.00 0.00 H new ATOM 1193 N PRO A 101 3.985 -13.911 -4.122 1.00 0.00 N ATOM 1194 CA PRO A 101 2.919 -14.727 -3.537 1.00 0.00 C ATOM 1195 C PRO A 101 3.281 -15.251 -2.148 1.00 0.00 C ATOM 1196 O PRO A 101 3.439 -16.456 -1.943 1.00 0.00 O ATOM 1197 CB PRO A 101 2.753 -15.892 -4.528 1.00 0.00 C ATOM 1198 CG PRO A 101 3.629 -15.565 -5.696 1.00 0.00 C ATOM 1199 CD PRO A 101 4.693 -14.642 -5.177 1.00 0.00 C ATOM 0 HA PRO A 101 2.006 -14.149 -3.394 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.047 -16.837 -4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.713 -15.997 -4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.069 -16.469 -6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.055 -15.089 -6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.551 -15.189 -4.787 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.067 -13.975 -5.954 1.00 0.00 H new ATOM 1207 N GLN A 102 3.421 -14.330 -1.204 1.00 0.00 N ATOM 1208 CA GLN A 102 3.701 -14.672 0.183 1.00 0.00 C ATOM 1209 C GLN A 102 3.439 -13.460 1.067 1.00 0.00 C ATOM 1210 O GLN A 102 2.536 -13.469 1.898 1.00 0.00 O ATOM 1211 CB GLN A 102 5.153 -15.149 0.341 1.00 0.00 C ATOM 1212 CG GLN A 102 5.418 -15.956 1.611 1.00 0.00 C ATOM 1213 CD GLN A 102 5.546 -15.115 2.872 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.129 -13.933 2.749 1.00 0.00 O flip ATOM 1215 NE2 GLN A 102 5.165 -15.550 3.957 1.00 0.00 N flip ATOM 0 H GLN A 102 3.344 -13.328 -1.378 1.00 0.00 H new ATOM 0 HA GLN A 102 3.044 -15.487 0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.419 -15.757 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.811 -14.280 0.334 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.608 -16.673 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.334 -16.531 1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.720 -16.466 4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.294 -14.995 4.803 1.00 0.00 H new ATOM 1224 N SER A 103 4.222 -12.411 0.859 1.00 0.00 N ATOM 1225 CA SER A 103 4.121 -11.207 1.667 1.00 0.00 C ATOM 1226 C SER A 103 3.078 -10.246 1.108 1.00 0.00 C ATOM 1227 O SER A 103 2.568 -9.386 1.828 1.00 0.00 O ATOM 1228 CB SER A 103 5.488 -10.528 1.740 1.00 0.00 C ATOM 1229 OG SER A 103 6.096 -10.483 0.460 1.00 0.00 O ATOM 0 H SER A 103 4.937 -12.371 0.133 1.00 0.00 H new ATOM 0 HA SER A 103 3.800 -11.489 2.670 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.376 -9.516 2.130 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.131 -11.069 2.434 1.00 0.00 H new ATOM 0 HG SER A 103 6.016 -9.578 0.091 1.00 0.00 H new ATOM 1235 N SER A 104 2.770 -10.382 -0.176 1.00 0.00 N ATOM 1236 CA SER A 104 1.780 -9.525 -0.808 1.00 0.00 C ATOM 1237 C SER A 104 0.370 -9.979 -0.433 1.00 0.00 C ATOM 1238 O SER A 104 0.000 -11.143 -0.625 1.00 0.00 O ATOM 1239 CB SER A 104 1.963 -9.525 -2.328 1.00 0.00 C ATOM 1240 OG SER A 104 3.293 -9.177 -2.678 1.00 0.00 O ATOM 0 H SER A 104 3.190 -11.075 -0.796 1.00 0.00 H new ATOM 0 HA SER A 104 1.921 -8.506 -0.448 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.724 -10.511 -2.727 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.267 -8.820 -2.782 1.00 0.00 H new ATOM 0 HG SER A 104 3.387 -9.185 -3.653 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.402 -9.056 0.121 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.748 -9.350 0.578 1.00 0.00 C ATOM 1248 C ILE A 105 -2.781 -8.608 -0.252 1.00 0.00 C ATOM 1249 O ILE A 105 -2.467 -7.641 -0.947 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.960 -8.960 2.060 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.653 -7.470 2.260 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.107 -9.830 2.976 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -2.040 -6.931 3.619 1.00 0.00 C ATOM 0 H ILE A 105 -0.113 -8.088 0.265 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.874 -10.427 0.468 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.003 -9.132 2.324 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.586 -7.308 2.108 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.175 -6.898 1.493 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.272 -9.538 4.013 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.383 -10.876 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.054 -9.699 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.789 -5.872 3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.112 -7.058 3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.499 -7.474 4.394 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.012 -9.064 -0.157 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.129 -8.397 -0.792 1.00 0.00 C ATOM 1267 C ILE A 106 -6.215 -8.182 0.254 1.00 0.00 C ATOM 1268 O ILE A 106 -6.551 -9.095 1.013 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.669 -9.201 -2.003 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.791 -8.435 -2.712 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.148 -10.582 -1.573 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -7.302 -9.129 -3.962 1.00 0.00 C ATOM 0 H ILE A 106 -4.266 -9.905 0.361 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.797 -7.437 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.849 -9.333 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.620 -8.296 -2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.430 -7.442 -2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.522 -11.124 -2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.318 -11.133 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.947 -10.478 -0.839 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.094 -8.531 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.485 -9.244 -4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.694 -10.111 -3.698 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.730 -6.972 0.338 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.656 -6.641 1.409 1.00 0.00 C ATOM 1286 C CYS A 107 -8.993 -6.166 0.855 1.00 0.00 C ATOM 1287 O CYS A 107 -9.072 -5.685 -0.277 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.048 -5.574 2.322 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.789 -5.520 3.985 1.00 0.00 S ATOM 0 H CYS A 107 -6.529 -6.210 -0.310 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.837 -7.544 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.978 -5.758 2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.163 -4.598 1.851 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.040 -6.314 1.661 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.379 -5.897 1.279 1.00 0.00 C ATOM 1296 C TYR A 108 -12.037 -5.147 2.429 1.00 0.00 C ATOM 1297 O TYR A 108 -11.604 -5.254 3.579 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.237 -7.102 0.880 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.810 -7.755 -0.417 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.075 -7.147 -1.639 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -11.152 -8.980 -0.423 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.690 -7.736 -2.827 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.764 -9.575 -1.609 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.038 -8.950 -2.809 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.653 -9.540 -3.993 1.00 0.00 O ATOM 0 H TYR A 108 -9.982 -6.725 2.593 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.298 -5.236 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.199 -7.843 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.275 -6.783 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.591 -6.198 -1.659 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.941 -9.474 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.899 -7.247 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -10.249 -10.524 -1.597 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.205 -10.391 -3.804 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.080 -4.394 2.113 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.752 -3.589 3.110 1.00 0.00 C ATOM 1317 C GLY A 109 -13.958 -2.171 2.624 1.00 0.00 C ATOM 1318 O GLY A 109 -14.524 -1.956 1.550 1.00 0.00 O ATOM 0 H GLY A 109 -13.475 -4.327 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.716 -4.036 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.165 -3.579 4.029 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.499 -1.205 3.402 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.569 0.194 3.002 1.00 0.00 C ATOM 1324 C GLN A 110 -12.229 0.639 2.436 1.00 0.00 C ATOM 1325 O GLN A 110 -11.180 0.328 3.004 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.944 1.083 4.189 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.341 0.834 4.735 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.685 1.751 5.894 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.687 2.129 6.678 1.00 0.00 O flip ATOM 1330 NE2 GLN A 110 -16.845 2.111 6.087 1.00 0.00 N flip ATOM 0 H GLN A 110 -13.073 -1.362 4.315 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.340 0.292 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.220 0.927 4.989 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.865 2.127 3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.070 0.974 3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.421 -0.203 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.587 1.798 5.461 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.065 2.722 6.873 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.268 1.358 1.317 1.00 0.00 N ATOM 1340 CA LEU A 111 -11.055 1.850 0.679 1.00 0.00 C ATOM 1341 C LEU A 111 -10.277 2.755 1.625 1.00 0.00 C ATOM 1342 O LEU A 111 -10.636 3.915 1.842 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.388 2.599 -0.618 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.190 3.253 -1.321 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.140 2.215 -1.692 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.641 4.009 -2.559 1.00 0.00 C ATOM 0 H LEU A 111 -13.130 1.612 0.834 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.432 0.990 0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.859 1.902 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.124 3.372 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.741 3.961 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.303 2.706 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.786 1.717 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.579 1.478 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.777 4.465 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.122 3.319 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.349 4.787 -2.273 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.210 2.207 2.186 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.417 2.937 3.147 1.00 0.00 C ATOM 1360 C GLY A 112 -8.257 2.181 4.447 1.00 0.00 C ATOM 1361 O GLY A 112 -7.400 2.511 5.267 1.00 0.00 O ATOM 0 H GLY A 112 -8.879 1.262 1.990 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.433 3.141 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.885 3.901 3.345 1.00 0.00 H new ATOM 1365 N SER A 113 -9.078 1.161 4.641 1.00 0.00 N ATOM 1366 CA SER A 113 -9.029 0.385 5.861 1.00 0.00 C ATOM 1367 C SER A 113 -8.621 -1.053 5.580 1.00 0.00 C ATOM 1368 O SER A 113 -9.259 -1.752 4.791 1.00 0.00 O ATOM 1369 CB SER A 113 -10.387 0.407 6.561 1.00 0.00 C ATOM 1370 OG SER A 113 -10.310 -0.186 7.849 1.00 0.00 O ATOM 0 H SER A 113 -9.782 0.855 3.970 1.00 0.00 H new ATOM 0 HA SER A 113 -8.281 0.836 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.736 1.436 6.652 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.120 -0.126 5.955 1.00 0.00 H new ATOM 0 HG SER A 113 -10.023 0.486 8.502 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.553 -1.485 6.226 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.160 -2.880 6.203 1.00 0.00 C ATOM 1378 C PHE A 114 -7.985 -3.626 7.245 1.00 0.00 C ATOM 1379 O PHE A 114 -7.465 -4.129 8.247 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.658 -3.022 6.476 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.793 -2.478 5.368 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.440 -1.138 5.335 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.340 -3.309 4.354 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.651 -0.638 4.317 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.552 -2.813 3.335 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.208 -1.477 3.316 1.00 0.00 C ATOM 0 H PHE A 114 -6.939 -0.884 6.776 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.348 -3.307 5.218 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.415 -2.505 7.404 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.422 -4.075 6.627 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -4.786 -0.476 6.115 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.607 -4.356 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.382 0.408 4.305 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.205 -3.471 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.592 -1.089 2.518 1.00 0.00 H new ATOM 1396 N SER A 115 -9.290 -3.635 7.015 1.00 0.00 N ATOM 1397 CA SER A 115 -10.250 -4.224 7.931 1.00 0.00 C ATOM 1398 C SER A 115 -10.038 -5.730 8.039 1.00 0.00 C ATOM 1399 O SER A 115 -9.721 -6.249 9.112 1.00 0.00 O ATOM 1400 CB SER A 115 -11.664 -3.917 7.437 1.00 0.00 C ATOM 1401 OG SER A 115 -11.779 -2.556 7.048 1.00 0.00 O ATOM 0 H SER A 115 -9.714 -3.230 6.180 1.00 0.00 H new ATOM 0 HA SER A 115 -10.110 -3.796 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.907 -4.563 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.385 -4.137 8.225 1.00 0.00 H new ATOM 0 HG SER A 115 -11.134 -2.016 7.551 1.00 0.00 H new ATOM 1407 N ASN A 116 -10.180 -6.417 6.915 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.005 -7.857 6.868 1.00 0.00 C ATOM 1409 C ASN A 116 -9.239 -8.227 5.606 1.00 0.00 C ATOM 1410 O ASN A 116 -9.791 -8.215 4.504 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.367 -8.559 6.902 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.247 -10.061 7.073 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.288 -10.560 7.661 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.231 -10.788 6.573 1.00 0.00 N ATOM 0 H ASN A 116 -10.418 -5.994 6.018 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.436 -8.184 7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.961 -8.151 7.719 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.905 -8.344 5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.214 -11.803 6.668 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.008 -10.334 6.093 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.960 -8.516 5.767 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.084 -8.754 4.630 1.00 0.00 C ATOM 1423 C CYS A 117 -6.611 -10.202 4.617 1.00 0.00 C ATOM 1424 O CYS A 117 -6.495 -10.831 5.668 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.878 -7.813 4.700 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.281 -6.109 5.215 1.00 0.00 S ATOM 0 H CYS A 117 -7.503 -8.592 6.676 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.640 -8.561 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.149 -8.227 5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.400 -7.780 3.721 1.00 0.00 H new ATOM 1431 N SER A 118 -6.339 -10.725 3.433 1.00 0.00 N ATOM 1432 CA SER A 118 -5.870 -12.090 3.293 1.00 0.00 C ATOM 1433 C SER A 118 -4.744 -12.158 2.266 1.00 0.00 C ATOM 1434 O SER A 118 -4.384 -11.146 1.659 1.00 0.00 O ATOM 1435 CB SER A 118 -7.033 -12.993 2.873 1.00 0.00 C ATOM 1436 OG SER A 118 -7.700 -12.469 1.736 1.00 0.00 O ATOM 0 H SER A 118 -6.436 -10.221 2.552 1.00 0.00 H new ATOM 0 HA SER A 118 -5.482 -12.436 4.251 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.660 -13.993 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.738 -13.092 3.699 1.00 0.00 H new ATOM 0 HG SER A 118 -8.437 -13.064 1.486 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.181 -13.343 2.085 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.134 -13.544 1.096 1.00 0.00 C ATOM 1444 C HIS A 119 -3.767 -13.820 -0.257 1.00 0.00 C ATOM 1445 O HIS A 119 -4.741 -14.566 -0.348 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.211 -14.695 1.513 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.489 -14.439 2.802 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.824 -15.056 3.986 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.447 -13.621 3.087 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.025 -14.631 4.946 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -0.179 -13.759 4.426 1.00 0.00 N ATOM 0 H HIS A 119 -4.432 -14.180 2.611 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.527 -12.642 1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.800 -15.607 1.609 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.480 -14.870 0.724 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.075 -12.981 2.391 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -1.057 -14.942 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.555 -13.268 4.937 1.00 0.00 H new ATOM 1459 N SER A 120 -3.222 -13.198 -1.297 1.00 0.00 N ATOM 1460 CA SER A 120 -3.801 -13.274 -2.632 1.00 0.00 C ATOM 1461 C SER A 120 -3.872 -14.716 -3.132 1.00 0.00 C ATOM 1462 O SER A 120 -2.861 -15.298 -3.528 1.00 0.00 O ATOM 1463 CB SER A 120 -2.985 -12.424 -3.613 1.00 0.00 C ATOM 1464 OG SER A 120 -3.589 -12.398 -4.895 1.00 0.00 O ATOM 0 H SER A 120 -2.375 -12.633 -1.239 1.00 0.00 H new ATOM 0 HA SER A 120 -4.818 -12.886 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.895 -11.408 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.975 -12.825 -3.692 1.00 0.00 H new ATOM 0 HG SER A 120 -3.144 -11.727 -5.453 1.00 0.00 H new ATOM 1470 N ARG A 121 -5.071 -15.291 -3.100 1.00 0.00 N ATOM 1471 CA ARG A 121 -5.300 -16.617 -3.658 1.00 0.00 C ATOM 1472 C ARG A 121 -5.780 -16.503 -5.100 1.00 0.00 C ATOM 1473 O ARG A 121 -6.623 -17.279 -5.560 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.311 -17.408 -2.820 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.840 -17.689 -1.401 1.00 0.00 C ATOM 1476 CD ARG A 121 -6.776 -18.644 -0.680 1.00 0.00 C ATOM 1477 NE ARG A 121 -8.131 -18.109 -0.566 1.00 0.00 N ATOM 1478 CZ ARG A 121 -9.225 -18.792 -0.893 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -9.119 -20.020 -1.378 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -10.426 -18.256 -0.740 1.00 0.00 N ATOM 0 H ARG A 121 -5.899 -14.857 -2.692 1.00 0.00 H new ATOM 0 HA ARG A 121 -4.355 -17.160 -3.639 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -7.249 -16.854 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.521 -18.354 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.836 -18.113 -1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.776 -16.753 -0.846 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.806 -19.593 -1.215 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.384 -18.851 0.316 1.00 0.00 H new ATOM 0 HE ARG A 121 -8.245 -17.158 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -8.199 -20.442 -1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -9.958 -20.544 -1.629 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -10.519 -17.311 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -11.258 -18.788 -0.994 1.00 0.00 H new ATOM 1493 N ASN A 122 -5.252 -15.510 -5.799 1.00 0.00 N ATOM 1494 CA ASN A 122 -5.518 -15.340 -7.218 1.00 0.00 C ATOM 1495 C ASN A 122 -4.212 -15.533 -7.978 1.00 0.00 C ATOM 1496 O ASN A 122 -3.142 -15.533 -7.365 1.00 0.00 O ATOM 1497 CB ASN A 122 -6.109 -13.949 -7.505 1.00 0.00 C ATOM 1498 CG ASN A 122 -6.663 -13.816 -8.916 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -5.937 -13.494 -9.858 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -7.960 -14.038 -9.069 1.00 0.00 N ATOM 0 H ASN A 122 -4.632 -14.804 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 122 -6.251 -16.078 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -6.904 -13.743 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.338 -13.194 -7.351 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -8.388 -13.944 -9.990 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -8.530 -14.303 -8.266 1.00 0.00 H new ATOM 1507 N ASP A 123 -4.279 -15.711 -9.285 1.00 0.00 N ATOM 1508 CA ASP A 123 -3.068 -15.908 -10.070 1.00 0.00 C ATOM 1509 C ASP A 123 -2.288 -14.603 -10.185 1.00 0.00 C ATOM 1510 O ASP A 123 -1.068 -14.576 -10.013 1.00 0.00 O ATOM 1511 CB ASP A 123 -3.399 -16.430 -11.470 1.00 0.00 C ATOM 1512 CG ASP A 123 -2.184 -16.996 -12.182 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.356 -16.215 -12.691 1.00 0.00 O ATOM 1514 OD2 ASP A 123 -2.062 -18.238 -12.244 1.00 0.00 O ATOM 0 H ASP A 123 -5.146 -15.724 -9.822 1.00 0.00 H new ATOM 0 HA ASP A 123 -2.457 -16.649 -9.555 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.164 -17.202 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -3.821 -15.620 -12.066 1.00 0.00 H new ATOM 1519 N MET A 124 -3.000 -13.519 -10.454 1.00 0.00 N ATOM 1520 CA MET A 124 -2.357 -12.237 -10.704 1.00 0.00 C ATOM 1521 C MET A 124 -2.257 -11.403 -9.429 1.00 0.00 C ATOM 1522 O MET A 124 -3.032 -11.589 -8.488 1.00 0.00 O ATOM 1523 CB MET A 124 -3.116 -11.443 -11.775 1.00 0.00 C ATOM 1524 CG MET A 124 -4.469 -10.922 -11.316 1.00 0.00 C ATOM 1525 SD MET A 124 -5.269 -9.889 -12.558 1.00 0.00 S ATOM 1526 CE MET A 124 -6.787 -9.462 -11.710 1.00 0.00 C ATOM 0 H MET A 124 -4.019 -13.501 -10.505 1.00 0.00 H new ATOM 0 HA MET A 124 -1.349 -12.449 -11.061 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.502 -10.600 -12.091 1.00 0.00 H new ATOM 0 HB3 MET A 124 -3.260 -12.078 -12.649 1.00 0.00 H new ATOM 0 HG2 MET A 124 -5.117 -11.765 -11.077 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.341 -10.348 -10.398 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.266 -8.626 -12.220 1.00 0.00 H new ATOM 0 HE2 MET A 124 -7.458 -10.321 -11.711 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.562 -9.179 -10.682 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.301 -10.482 -9.419 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.102 -9.565 -8.306 1.00 0.00 C ATOM 1538 C CYS A 125 0.028 -8.606 -8.649 1.00 0.00 C ATOM 1539 O CYS A 125 1.088 -9.026 -9.109 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.775 -10.326 -7.014 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.503 -9.259 -5.559 1.00 0.00 S ATOM 0 H CYS A 125 -0.641 -10.351 -10.185 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.024 -9.008 -8.139 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.591 -11.015 -6.796 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.117 -10.930 -7.178 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.205 -7.322 -8.461 1.00 0.00 N ATOM 1547 CA HIS A 126 0.806 -6.325 -8.765 1.00 0.00 C ATOM 1548 C HIS A 126 1.161 -5.531 -7.518 1.00 0.00 C ATOM 1549 O HIS A 126 0.278 -5.147 -6.745 1.00 0.00 O ATOM 1550 CB HIS A 126 0.323 -5.398 -9.885 1.00 0.00 C ATOM 1551 CG HIS A 126 0.393 -6.024 -11.248 1.00 0.00 C ATOM 1552 ND1 HIS A 126 1.464 -6.410 -11.982 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -0.718 -6.315 -12.016 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 0.988 -6.918 -13.164 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 -0.332 -6.851 -13.160 1.00 0.00 N flip ATOM 0 H HIS A 126 -1.081 -6.944 -8.101 1.00 0.00 H new ATOM 0 HA HIS A 126 1.706 -6.835 -9.110 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.706 -5.101 -9.682 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.925 -4.489 -9.879 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.742 -6.133 -11.726 1.00 0.00 H new ATOM 0 HE1 HIS A 126 1.594 -7.309 -13.968 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -0.948 -7.160 -13.912 1.00 0.00 H new ATOM 1563 N SER A 127 2.456 -5.307 -7.319 1.00 0.00 N ATOM 1564 CA SER A 127 2.936 -4.586 -6.154 1.00 0.00 C ATOM 1565 C SER A 127 2.483 -3.131 -6.192 1.00 0.00 C ATOM 1566 O SER A 127 2.823 -2.383 -7.117 1.00 0.00 O ATOM 1567 CB SER A 127 4.460 -4.653 -6.087 1.00 0.00 C ATOM 1568 OG SER A 127 4.913 -5.995 -6.006 1.00 0.00 O ATOM 0 H SER A 127 3.191 -5.617 -7.954 1.00 0.00 H new ATOM 0 HA SER A 127 2.516 -5.056 -5.265 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.886 -4.175 -6.969 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.813 -4.095 -5.220 1.00 0.00 H new ATOM 0 HG SER A 127 4.686 -6.468 -6.834 1.00 0.00 H new ATOM 1574 N LEU A 128 1.710 -2.736 -5.191 1.00 0.00 N ATOM 1575 CA LEU A 128 1.210 -1.378 -5.113 1.00 0.00 C ATOM 1576 C LEU A 128 2.323 -0.445 -4.656 1.00 0.00 C ATOM 1577 O LEU A 128 3.025 -0.722 -3.678 1.00 0.00 O ATOM 1578 CB LEU A 128 0.004 -1.312 -4.170 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.841 -0.038 -4.250 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.266 -0.318 -3.800 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.237 1.059 -3.391 1.00 0.00 C ATOM 0 H LEU A 128 1.417 -3.340 -4.423 1.00 0.00 H new ATOM 0 HA LEU A 128 0.879 -1.056 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.641 -2.166 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.362 -1.423 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.855 0.296 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.854 0.598 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.708 -1.078 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.259 -0.675 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.852 1.956 -3.461 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.196 0.728 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.771 1.282 -3.741 1.00 0.00 H new ATOM 1593 N GLY A 129 2.486 0.643 -5.379 1.00 0.00 N ATOM 1594 CA GLY A 129 3.514 1.597 -5.064 1.00 0.00 C ATOM 1595 C GLY A 129 2.935 2.936 -4.681 1.00 0.00 C ATOM 1596 O GLY A 129 2.059 3.463 -5.374 1.00 0.00 O ATOM 0 H GLY A 129 1.916 0.884 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.124 1.217 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.174 1.718 -5.923 1.00 0.00 H new ATOM 1600 N LEU A 130 3.403 3.472 -3.572 1.00 0.00 N ATOM 1601 CA LEU A 130 2.984 4.783 -3.125 1.00 0.00 C ATOM 1602 C LEU A 130 4.120 5.772 -3.329 1.00 0.00 C ATOM 1603 O LEU A 130 5.233 5.563 -2.841 1.00 0.00 O ATOM 1604 CB LEU A 130 2.569 4.743 -1.650 1.00 0.00 C ATOM 1605 CG LEU A 130 2.256 6.103 -1.012 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.101 6.799 -1.723 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.939 5.930 0.465 1.00 0.00 C ATOM 0 H LEU A 130 4.079 3.015 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 130 2.121 5.100 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.689 4.107 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.368 4.269 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 130 3.139 6.733 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.906 7.759 -1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.362 6.960 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.209 6.176 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.719 6.902 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.074 5.276 0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.797 5.488 0.972 1.00 0.00 H new ATOM 1619 N THR A 131 3.851 6.813 -4.088 1.00 0.00 N ATOM 1620 CA THR A 131 4.814 7.874 -4.288 1.00 0.00 C ATOM 1621 C THR A 131 4.334 9.143 -3.599 1.00 0.00 C ATOM 1622 O THR A 131 3.360 9.762 -4.029 1.00 0.00 O ATOM 1623 CB THR A 131 5.035 8.148 -5.787 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.487 6.947 -6.428 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.048 9.264 -6.009 1.00 0.00 C ATOM 0 H THR A 131 2.967 6.947 -4.579 1.00 0.00 H new ATOM 0 HA THR A 131 5.763 7.558 -3.855 1.00 0.00 H new ATOM 0 HB THR A 131 4.087 8.468 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.627 7.118 -7.383 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.178 9.430 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.688 10.180 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.003 8.982 -5.566 1.00 0.00 H new ATOM 1633 N CYS A 132 4.997 9.505 -2.517 1.00 0.00 N ATOM 1634 CA CYS A 132 4.673 10.726 -1.798 1.00 0.00 C ATOM 1635 C CYS A 132 5.638 11.821 -2.220 1.00 0.00 C ATOM 1636 O CYS A 132 6.724 11.529 -2.724 1.00 0.00 O ATOM 1637 CB CYS A 132 4.764 10.493 -0.285 1.00 0.00 C ATOM 1638 SG CYS A 132 3.745 9.107 0.322 1.00 0.00 S ATOM 0 H CYS A 132 5.766 8.970 -2.114 1.00 0.00 H new ATOM 0 HA CYS A 132 3.653 11.028 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.805 10.307 -0.019 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.461 11.405 0.230 1.00 0.00 H new ATOM 1643 N LEU A 133 5.243 13.077 -2.048 1.00 0.00 N ATOM 1644 CA LEU A 133 6.133 14.187 -2.352 1.00 0.00 C ATOM 1645 C LEU A 133 7.293 14.214 -1.364 1.00 0.00 C ATOM 1646 O LEU A 133 7.175 14.760 -0.264 1.00 0.00 O ATOM 1647 CB LEU A 133 5.375 15.517 -2.332 1.00 0.00 C ATOM 1648 CG LEU A 133 4.353 15.701 -3.458 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.591 17.002 -3.277 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.039 15.673 -4.816 1.00 0.00 C ATOM 0 H LEU A 133 4.322 13.349 -1.703 1.00 0.00 H new ATOM 0 HA LEU A 133 6.532 14.044 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.859 15.609 -1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.099 16.330 -2.383 1.00 0.00 H new ATOM 0 HG LEU A 133 3.644 14.874 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 133 2.869 17.116 -4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.066 16.986 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.290 17.838 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.296 15.805 -5.602 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.772 16.478 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.542 14.715 -4.950 1.00 0.00 H new ATOM 1662 N GLU A 134 8.390 13.581 -1.759 1.00 0.00 N ATOM 1663 CA GLU A 134 9.593 13.496 -0.941 1.00 0.00 C ATOM 1664 C GLU A 134 10.280 14.855 -0.870 1.00 0.00 C ATOM 1665 O GLU A 134 10.874 15.268 -1.886 1.00 0.00 O ATOM 1666 CB GLU A 134 10.545 12.441 -1.524 1.00 0.00 C ATOM 1667 CG GLU A 134 11.772 12.155 -0.669 1.00 0.00 C ATOM 1668 CD GLU A 134 12.654 11.072 -1.265 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.492 11.392 -2.135 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.525 9.896 -0.862 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.211 15.508 0.194 1.00 0.00 O ATOM 0 H GLU A 134 8.471 13.110 -2.660 1.00 0.00 H new ATOM 0 HA GLU A 134 9.316 13.199 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.993 11.512 -1.667 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.874 12.772 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.353 13.070 -0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.454 11.852 0.329 1.00 0.00 H new