USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 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 45 GLN : amide:sc= 0 X(o=-0.21,f=-0.64) USER MOD Set 1.2: A 131 THR OG1 : rot 180:sc= -0.208 USER MOD Set 2.1: A 68 SER OG : rot -61:sc= 0.276 USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 2.3: A 126 HIS : no HD1:sc= -0.0613 X(o=0.21,f=0.22) USER MOD Set 3.1: A 113 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 115 SER OG : rot -65:sc= 1.2 USER MOD Set 4.1: A 70 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.045) USER MOD Set 4.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 38 THR OG1 : rot 142:sc= -0.42 USER MOD Set 5.2: A 40 SER OG : rot -77:sc= 0.839 USER MOD Set 5.3: A 41 ASN : amide:sc= 0.31 X(o=-1.7,f=-1.8) USER MOD Set 5.4: A 47 GLN : amide:sc= -2.41! X(o=-1.7!,f=-1.8) USER MOD Single : A 27 SER OG : rot 48:sc= 1.33 USER MOD Single : A 29 TYR OH : rot 50:sc= 1.14 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0341 F(o=-3.2!,f=-0.034) USER MOD Single : A 42 SER OG : rot -97:sc= 1.27 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= 1.27 (180deg=0.791) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.205) USER MOD Single : A 57 HIS : no HE2:sc= 0.466 K(o=0.47,f=-3.9!) USER MOD Single : A 58 MET CE :methyl 165:sc= -0.0871 (180deg=-0.562) USER MOD Single : A 61 SER OG : rot 103:sc= -0.293 USER MOD Single : A 62 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.3) USER MOD Single : A 63 SER OG : rot 88:sc= 1.4 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0088 USER MOD Single : A 69 LYS NZ :NH3+ 157:sc= 1.27 (180deg=0.426) USER MOD Single : A 75 SER OG : rot 117:sc= 1.3 USER MOD Single : A 76 GLN : amide:sc= -1.08 K(o=-1.1,f=-6!) USER MOD Single : A 78 SER OG : rot -89:sc= 0.442 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0162) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0361 F(o=-1.5!,f=-0.036) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.21 F(o=-1.5!,f=-0.21) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 160:sc= -0.831 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -78:sc= 0.905 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.9!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= -0.0505 F(o=-1.1,f=-0.05) USER MOD Single : A 120 SER OG : rot 149:sc= 0.858 USER MOD Single : A 122 ASN : amide:sc= -0.704 K(o=-0.7,f=-4.4!) USER MOD Single : A 124 MET CE :methyl 161:sc= -0.157 (180deg=-0.697) USER MOD Single : A 127 SER OG : rot 102:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.242 -1.456 11.698 1.00 0.00 N ATOM 24 CA LEU A 26 -6.923 -1.168 11.163 1.00 0.00 C ATOM 25 C LEU A 26 -7.050 -0.296 9.926 1.00 0.00 C ATOM 26 O LEU A 26 -7.418 -0.776 8.856 1.00 0.00 O ATOM 27 CB LEU A 26 -6.181 -2.457 10.791 1.00 0.00 C ATOM 28 CG LEU A 26 -5.836 -3.392 11.951 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.196 -4.664 11.425 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.901 -2.705 12.933 1.00 0.00 C ATOM 0 HA LEU A 26 -6.355 -0.648 11.934 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.790 -3.009 10.075 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.256 -2.186 10.282 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.758 -3.648 12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.955 -5.322 12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.890 -5.170 10.753 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.283 -4.415 10.884 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.668 -3.387 13.751 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.981 -2.422 12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.384 -1.812 13.331 1.00 0.00 H new ATOM 42 N SER A 27 -6.777 0.981 10.078 1.00 0.00 N ATOM 43 CA SER A 27 -6.771 1.900 8.956 1.00 0.00 C ATOM 44 C SER A 27 -5.517 2.755 9.030 1.00 0.00 C ATOM 45 O SER A 27 -4.908 2.879 10.094 1.00 0.00 O ATOM 46 CB SER A 27 -8.022 2.782 8.987 1.00 0.00 C ATOM 47 OG SER A 27 -8.187 3.489 7.770 1.00 0.00 O ATOM 0 H SER A 27 -6.554 1.412 10.975 1.00 0.00 H new ATOM 0 HA SER A 27 -6.775 1.340 8.021 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.900 2.164 9.172 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.950 3.489 9.813 1.00 0.00 H new ATOM 0 HG SER A 27 -8.085 2.871 7.016 1.00 0.00 H new ATOM 53 N TRP A 28 -5.129 3.353 7.908 1.00 0.00 N ATOM 54 CA TRP A 28 -3.904 4.149 7.863 1.00 0.00 C ATOM 55 C TRP A 28 -4.113 5.537 8.468 1.00 0.00 C ATOM 56 O TRP A 28 -3.358 6.470 8.190 1.00 0.00 O ATOM 57 CB TRP A 28 -3.345 4.243 6.430 1.00 0.00 C ATOM 58 CG TRP A 28 -4.305 4.746 5.386 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.348 5.611 5.559 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.284 4.427 3.988 1.00 0.00 C ATOM 61 NE1 TRP A 28 -5.984 5.833 4.363 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.349 5.120 3.382 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.472 3.617 3.191 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.619 5.030 2.018 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.740 3.529 1.837 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.806 4.231 1.263 1.00 0.00 C ATOM 0 H TRP A 28 -5.638 3.304 7.025 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.162 3.634 8.473 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.474 4.898 6.442 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.996 3.255 6.130 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.631 6.056 6.501 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.798 6.432 4.227 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.649 3.069 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.441 5.572 1.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.116 2.908 1.212 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.990 4.140 0.203 1.00 0.00 H new ATOM 77 N TYR A 29 -5.148 5.661 9.283 1.00 0.00 N ATOM 78 CA TYR A 29 -5.380 6.869 10.053 1.00 0.00 C ATOM 79 C TYR A 29 -5.159 6.588 11.535 1.00 0.00 C ATOM 80 O TYR A 29 -5.097 7.509 12.351 1.00 0.00 O ATOM 81 CB TYR A 29 -6.805 7.389 9.841 1.00 0.00 C ATOM 82 CG TYR A 29 -7.146 7.689 8.395 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.534 8.738 7.719 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.072 6.916 7.703 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.837 9.009 6.397 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.377 7.180 6.381 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.757 8.226 5.732 1.00 0.00 C ATOM 88 OH TYR A 29 -8.056 8.486 4.412 1.00 0.00 O ATOM 0 H TYR A 29 -5.846 4.931 9.428 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.677 7.630 9.713 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.510 6.651 10.224 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.941 8.296 10.431 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.810 9.352 8.235 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.561 6.096 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.355 9.830 5.888 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.098 6.569 5.859 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.225 8.568 3.898 1.00 0.00 H new ATOM 98 N ASP A 30 -5.042 5.310 11.875 1.00 0.00 N ATOM 99 CA ASP A 30 -4.896 4.898 13.264 1.00 0.00 C ATOM 100 C ASP A 30 -3.430 4.929 13.681 1.00 0.00 C ATOM 101 O ASP A 30 -2.547 4.541 12.916 1.00 0.00 O ATOM 102 CB ASP A 30 -5.459 3.488 13.474 1.00 0.00 C ATOM 103 CG ASP A 30 -6.941 3.390 13.169 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.754 3.893 13.974 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.301 2.804 12.131 1.00 0.00 O ATOM 0 H ASP A 30 -5.046 4.540 11.206 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.458 5.599 13.882 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.916 2.788 12.839 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.285 3.183 14.506 1.00 0.00 H new ATOM 110 N PRO A 31 -3.158 5.373 14.918 1.00 0.00 N ATOM 111 CA PRO A 31 -1.795 5.498 15.437 1.00 0.00 C ATOM 112 C PRO A 31 -1.173 4.141 15.750 1.00 0.00 C ATOM 113 O PRO A 31 0.024 4.037 16.012 1.00 0.00 O ATOM 114 CB PRO A 31 -1.979 6.316 16.713 1.00 0.00 C ATOM 115 CG PRO A 31 -3.367 6.021 17.159 1.00 0.00 C ATOM 116 CD PRO A 31 -4.168 5.781 15.910 1.00 0.00 C ATOM 0 HA PRO A 31 -1.119 5.959 14.717 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.251 6.032 17.473 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.843 7.381 16.523 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.389 5.147 17.809 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.777 6.854 17.730 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.919 5.005 16.059 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.697 6.680 15.595 1.00 0.00 H new ATOM 124 N ASP A 32 -2.009 3.111 15.724 1.00 0.00 N ATOM 125 CA ASP A 32 -1.561 1.741 15.952 1.00 0.00 C ATOM 126 C ASP A 32 -1.258 1.045 14.633 1.00 0.00 C ATOM 127 O ASP A 32 -0.965 -0.152 14.604 1.00 0.00 O ATOM 128 CB ASP A 32 -2.615 0.946 16.724 1.00 0.00 C ATOM 129 CG ASP A 32 -2.673 1.323 18.188 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.261 2.370 18.521 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.128 0.571 19.020 1.00 0.00 O ATOM 0 H ASP A 32 -3.009 3.199 15.546 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.648 1.785 16.546 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.593 1.111 16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.398 -0.119 16.635 1.00 0.00 H new ATOM 136 N PHE A 33 -1.339 1.793 13.545 1.00 0.00 N ATOM 137 CA PHE A 33 -1.037 1.263 12.230 1.00 0.00 C ATOM 138 C PHE A 33 0.355 1.716 11.802 1.00 0.00 C ATOM 139 O PHE A 33 0.726 2.871 11.999 1.00 0.00 O ATOM 140 CB PHE A 33 -2.083 1.735 11.218 1.00 0.00 C ATOM 141 CG PHE A 33 -1.935 1.119 9.856 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.397 -0.164 9.612 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.341 1.822 8.819 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.270 -0.734 8.362 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.211 1.257 7.568 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.676 -0.022 7.338 1.00 0.00 C ATOM 0 H PHE A 33 -1.613 2.775 13.550 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.060 0.174 12.269 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.076 1.506 11.604 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.020 2.819 11.124 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.862 -0.725 10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.976 2.823 8.993 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.634 -1.735 8.184 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.746 1.815 6.769 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.576 -0.466 6.358 1.00 0.00 H new ATOM 156 N GLN A 34 1.122 0.802 11.225 1.00 0.00 N ATOM 157 CA GLN A 34 2.473 1.111 10.781 1.00 0.00 C ATOM 158 C GLN A 34 2.653 0.689 9.332 1.00 0.00 C ATOM 159 O GLN A 34 2.167 -0.366 8.923 1.00 0.00 O ATOM 160 CB GLN A 34 3.519 0.420 11.669 1.00 0.00 C ATOM 161 CG GLN A 34 3.679 1.050 13.047 1.00 0.00 C ATOM 162 CD GLN A 34 2.928 0.313 14.148 1.00 0.00 C ATOM 163 OE1 GLN A 34 1.839 -0.346 13.797 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 3.334 0.335 15.308 1.00 0.00 N flip ATOM 0 H GLN A 34 0.831 -0.160 11.053 1.00 0.00 H new ATOM 0 HA GLN A 34 2.621 2.188 10.861 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.242 -0.627 11.790 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.482 0.438 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.738 1.083 13.301 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.329 2.081 13.008 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.180 0.855 15.543 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.825 -0.167 16.036 1.00 0.00 H new ATOM 173 N ALA A 35 3.344 1.516 8.559 1.00 0.00 N ATOM 174 CA ALA A 35 3.568 1.238 7.151 1.00 0.00 C ATOM 175 C ALA A 35 4.894 1.818 6.692 1.00 0.00 C ATOM 176 O ALA A 35 5.413 2.759 7.294 1.00 0.00 O ATOM 177 CB ALA A 35 2.428 1.796 6.311 1.00 0.00 C ATOM 0 H ALA A 35 3.760 2.388 8.887 1.00 0.00 H new ATOM 0 HA ALA A 35 3.602 0.157 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.611 1.579 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.490 1.334 6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.365 2.875 6.454 1.00 0.00 H new ATOM 183 N ARG A 36 5.437 1.247 5.629 1.00 0.00 N ATOM 184 CA ARG A 36 6.687 1.711 5.061 1.00 0.00 C ATOM 185 C ARG A 36 6.633 1.591 3.545 1.00 0.00 C ATOM 186 O ARG A 36 5.894 0.765 3.003 1.00 0.00 O ATOM 187 CB ARG A 36 7.869 0.882 5.585 1.00 0.00 C ATOM 188 CG ARG A 36 7.858 -0.555 5.079 1.00 0.00 C ATOM 189 CD ARG A 36 9.190 -1.258 5.293 1.00 0.00 C ATOM 190 NE ARG A 36 9.511 -1.447 6.705 1.00 0.00 N ATOM 191 CZ ARG A 36 9.996 -2.580 7.201 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.163 -3.636 6.416 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.304 -2.664 8.482 1.00 0.00 N ATOM 0 H ARG A 36 5.024 0.453 5.140 1.00 0.00 H new ATOM 0 HA ARG A 36 6.829 2.752 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.802 1.360 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.848 0.878 6.675 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.071 -1.111 5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.614 -0.561 4.017 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.167 -2.229 4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.982 -0.677 4.820 1.00 0.00 H new ATOM 0 HE ARG A 36 9.355 -0.668 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.919 -3.580 5.427 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.536 -4.504 6.801 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.170 -1.858 9.093 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.676 -3.535 8.861 1.00 0.00 H new ATOM 206 N LEU A 37 7.392 2.430 2.870 1.00 0.00 N ATOM 207 CA LEU A 37 7.605 2.280 1.445 1.00 0.00 C ATOM 208 C LEU A 37 8.960 1.633 1.229 1.00 0.00 C ATOM 209 O LEU A 37 9.966 2.100 1.766 1.00 0.00 O ATOM 210 CB LEU A 37 7.537 3.637 0.738 1.00 0.00 C ATOM 211 CG LEU A 37 6.193 4.361 0.845 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.251 5.706 0.139 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.077 3.507 0.261 1.00 0.00 C ATOM 0 H LEU A 37 7.874 3.226 3.288 1.00 0.00 H new ATOM 0 HA LEU A 37 6.822 1.652 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.313 4.282 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.770 3.491 -0.317 1.00 0.00 H new ATOM 0 HG LEU A 37 5.983 4.533 1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.286 6.205 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.022 6.325 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.487 5.554 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.129 4.039 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.286 3.304 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.015 2.566 0.807 1.00 0.00 H new ATOM 225 N THR A 38 8.978 0.539 0.487 1.00 0.00 N ATOM 226 CA THR A 38 10.212 -0.191 0.239 1.00 0.00 C ATOM 227 C THR A 38 11.167 0.655 -0.596 1.00 0.00 C ATOM 228 O THR A 38 10.737 1.620 -1.233 1.00 0.00 O ATOM 229 CB THR A 38 9.930 -1.531 -0.470 1.00 0.00 C ATOM 230 OG1 THR A 38 9.194 -1.300 -1.677 1.00 0.00 O ATOM 231 CG2 THR A 38 9.140 -2.471 0.436 1.00 0.00 C ATOM 0 H THR A 38 8.152 0.136 0.045 1.00 0.00 H new ATOM 0 HA THR A 38 10.677 -0.407 1.201 1.00 0.00 H new ATOM 0 HB THR A 38 10.886 -1.998 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.510 -1.911 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.954 -3.409 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.712 -2.668 1.343 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.189 -2.008 0.700 1.00 0.00 H new ATOM 239 N ARG A 39 12.453 0.294 -0.589 1.00 0.00 N ATOM 240 CA ARG A 39 13.481 1.092 -1.261 1.00 0.00 C ATOM 241 C ARG A 39 13.078 1.390 -2.698 1.00 0.00 C ATOM 242 O ARG A 39 12.799 2.536 -3.028 1.00 0.00 O ATOM 243 CB ARG A 39 14.855 0.401 -1.226 1.00 0.00 C ATOM 244 CG ARG A 39 15.482 0.306 0.163 1.00 0.00 C ATOM 245 CD ARG A 39 14.863 -0.805 0.994 1.00 0.00 C ATOM 246 NE ARG A 39 15.193 -2.129 0.469 1.00 0.00 N ATOM 247 CZ ARG A 39 14.287 -3.045 0.156 1.00 0.00 C ATOM 248 NH1 ARG A 39 12.999 -2.761 0.264 1.00 0.00 N ATOM 249 NH2 ARG A 39 14.659 -4.243 -0.270 1.00 0.00 N ATOM 0 H ARG A 39 12.806 -0.544 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 39 13.568 2.032 -0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.752 -0.605 -1.634 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.537 0.943 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.553 0.131 0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.360 1.257 0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 39 15.212 -0.726 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.780 -0.682 1.014 1.00 0.00 H new ATOM 0 HE ARG A 39 16.177 -2.361 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.705 -1.839 0.587 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.300 -3.464 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.650 -4.467 -0.360 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.954 -4.941 -0.508 1.00 0.00 H new ATOM 262 N SER A 40 13.037 0.354 -3.534 1.00 0.00 N ATOM 263 CA SER A 40 12.586 0.479 -4.922 1.00 0.00 C ATOM 264 C SER A 40 13.373 1.561 -5.673 1.00 0.00 C ATOM 265 O SER A 40 14.409 1.283 -6.281 1.00 0.00 O ATOM 266 CB SER A 40 11.085 0.793 -4.960 1.00 0.00 C ATOM 267 OG SER A 40 10.553 0.671 -6.269 1.00 0.00 O ATOM 0 H SER A 40 13.314 -0.592 -3.272 1.00 0.00 H new ATOM 0 HA SER A 40 12.768 -0.472 -5.422 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.555 0.117 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.916 1.805 -4.592 1.00 0.00 H new ATOM 0 HG SER A 40 10.799 1.459 -6.797 1.00 0.00 H new ATOM 273 N ASN A 41 12.883 2.795 -5.608 1.00 0.00 N ATOM 274 CA ASN A 41 13.532 3.922 -6.258 1.00 0.00 C ATOM 275 C ASN A 41 14.012 4.919 -5.210 1.00 0.00 C ATOM 276 O ASN A 41 15.101 5.483 -5.324 1.00 0.00 O ATOM 277 CB ASN A 41 12.569 4.600 -7.238 1.00 0.00 C ATOM 278 CG ASN A 41 12.120 3.666 -8.350 1.00 0.00 C ATOM 279 OD1 ASN A 41 11.122 2.953 -8.213 1.00 0.00 O ATOM 280 ND2 ASN A 41 12.848 3.664 -9.460 1.00 0.00 N ATOM 0 H ASN A 41 12.029 3.038 -5.105 1.00 0.00 H new ATOM 0 HA ASN A 41 14.393 3.558 -6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.695 4.959 -6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.054 5.473 -7.674 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.589 3.058 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 41 13.666 4.268 -9.534 1.00 0.00 H new ATOM 287 N SER A 42 13.197 5.112 -4.179 1.00 0.00 N ATOM 288 CA SER A 42 13.545 5.977 -3.064 1.00 0.00 C ATOM 289 C SER A 42 12.631 5.665 -1.878 1.00 0.00 C ATOM 290 O SER A 42 11.560 5.088 -2.048 1.00 0.00 O ATOM 291 CB SER A 42 13.411 7.449 -3.466 1.00 0.00 C ATOM 292 OG SER A 42 14.019 8.293 -2.503 1.00 0.00 O ATOM 0 H SER A 42 12.280 4.674 -4.095 1.00 0.00 H new ATOM 0 HA SER A 42 14.581 5.796 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.875 7.608 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.357 7.708 -3.569 1.00 0.00 H new ATOM 0 HG SER A 42 13.336 8.635 -1.889 1.00 0.00 H new ATOM 298 N LYS A 43 13.058 6.063 -0.683 1.00 0.00 N ATOM 299 CA LYS A 43 12.357 5.716 0.557 1.00 0.00 C ATOM 300 C LYS A 43 11.019 6.450 0.690 1.00 0.00 C ATOM 301 O LYS A 43 10.292 6.252 1.661 1.00 0.00 O ATOM 302 CB LYS A 43 13.234 6.014 1.785 1.00 0.00 C ATOM 303 CG LYS A 43 13.508 7.496 2.035 1.00 0.00 C ATOM 304 CD LYS A 43 14.519 8.075 1.051 1.00 0.00 C ATOM 305 CE LYS A 43 14.799 9.544 1.330 1.00 0.00 C ATOM 306 NZ LYS A 43 13.582 10.385 1.179 1.00 0.00 N ATOM 0 H LYS A 43 13.893 6.631 -0.543 1.00 0.00 H new ATOM 0 HA LYS A 43 12.151 4.647 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.752 5.595 2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.187 5.498 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.574 8.053 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.878 7.628 3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.449 7.510 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.142 7.963 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.190 9.652 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.572 9.901 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.861 11.372 1.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.019 10.039 0.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.014 10.333 2.049 1.00 0.00 H new ATOM 319 N CYS A 44 10.713 7.304 -0.274 1.00 0.00 N ATOM 320 CA CYS A 44 9.438 8.008 -0.297 1.00 0.00 C ATOM 321 C CYS A 44 8.694 7.682 -1.593 1.00 0.00 C ATOM 322 O CYS A 44 7.715 8.337 -1.962 1.00 0.00 O ATOM 323 CB CYS A 44 9.674 9.517 -0.162 1.00 0.00 C ATOM 324 SG CYS A 44 8.157 10.511 -0.008 1.00 0.00 S ATOM 0 H CYS A 44 11.332 7.528 -1.054 1.00 0.00 H new ATOM 0 HA CYS A 44 8.825 7.683 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 44 10.301 9.697 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 44 10.233 9.863 -1.032 1.00 0.00 H new ATOM 329 N GLN A 45 9.161 6.643 -2.271 1.00 0.00 N ATOM 330 CA GLN A 45 8.589 6.230 -3.540 1.00 0.00 C ATOM 331 C GLN A 45 8.884 4.754 -3.784 1.00 0.00 C ATOM 332 O GLN A 45 9.903 4.396 -4.383 1.00 0.00 O ATOM 333 CB GLN A 45 9.153 7.100 -4.668 1.00 0.00 C ATOM 334 CG GLN A 45 8.682 6.712 -6.058 1.00 0.00 C ATOM 335 CD GLN A 45 9.161 7.675 -7.127 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.230 8.276 -7.008 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.368 7.840 -8.172 1.00 0.00 N ATOM 0 H GLN A 45 9.942 6.067 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 45 7.507 6.361 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.878 8.138 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.241 7.049 -4.640 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.039 5.709 -6.292 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.593 6.674 -6.071 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.491 7.323 -8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.634 8.484 -8.917 1.00 0.00 H new ATOM 346 N GLY A 46 7.991 3.899 -3.306 1.00 0.00 N ATOM 347 CA GLY A 46 8.204 2.472 -3.417 1.00 0.00 C ATOM 348 C GLY A 46 6.949 1.679 -3.134 1.00 0.00 C ATOM 349 O GLY A 46 5.848 2.234 -3.137 1.00 0.00 O ATOM 0 H GLY A 46 7.123 4.169 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.560 2.237 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.987 2.169 -2.722 1.00 0.00 H new ATOM 353 N GLN A 47 7.113 0.383 -2.885 1.00 0.00 N ATOM 354 CA GLN A 47 5.983 -0.501 -2.632 1.00 0.00 C ATOM 355 C GLN A 47 5.430 -0.253 -1.239 1.00 0.00 C ATOM 356 O GLN A 47 6.180 0.063 -0.313 1.00 0.00 O ATOM 357 CB GLN A 47 6.382 -1.980 -2.760 1.00 0.00 C ATOM 358 CG GLN A 47 6.780 -2.431 -4.164 1.00 0.00 C ATOM 359 CD GLN A 47 8.132 -1.905 -4.610 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.169 -2.497 -4.314 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.127 -0.808 -5.349 1.00 0.00 N ATOM 0 H GLN A 47 8.022 -0.078 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 47 5.222 -0.283 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.215 -2.174 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.548 -2.595 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.795 -3.520 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.020 -2.101 -4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.245 -0.347 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.005 -0.423 -5.696 1.00 0.00 H new ATOM 370 N LEU A 48 4.124 -0.400 -1.089 1.00 0.00 N ATOM 371 CA LEU A 48 3.489 -0.192 0.200 1.00 0.00 C ATOM 372 C LEU A 48 3.526 -1.472 1.020 1.00 0.00 C ATOM 373 O LEU A 48 2.827 -2.443 0.716 1.00 0.00 O ATOM 374 CB LEU A 48 2.042 0.282 0.027 1.00 0.00 C ATOM 375 CG LEU A 48 1.303 0.624 1.326 1.00 0.00 C ATOM 376 CD1 LEU A 48 1.951 1.808 2.034 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.161 0.916 1.037 1.00 0.00 C ATOM 0 H LEU A 48 3.486 -0.661 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 48 4.043 0.583 0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.040 1.163 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.483 -0.494 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 48 1.367 -0.239 1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.405 2.027 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.986 1.565 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.927 2.680 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.674 1.157 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.235 1.761 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.624 0.040 0.584 1.00 0.00 H new ATOM 389 N GLU A 49 4.360 -1.473 2.044 1.00 0.00 N ATOM 390 CA GLU A 49 4.451 -2.598 2.955 1.00 0.00 C ATOM 391 C GLU A 49 3.917 -2.167 4.312 1.00 0.00 C ATOM 392 O GLU A 49 4.328 -1.138 4.850 1.00 0.00 O ATOM 393 CB GLU A 49 5.897 -3.089 3.063 1.00 0.00 C ATOM 394 CG GLU A 49 6.056 -4.368 3.865 1.00 0.00 C ATOM 395 CD GLU A 49 7.487 -4.863 3.883 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.331 -4.242 4.563 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.783 -5.871 3.207 1.00 0.00 O ATOM 0 H GLU A 49 4.988 -0.701 2.266 1.00 0.00 H new ATOM 0 HA GLU A 49 3.854 -3.429 2.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.291 -3.250 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.502 -2.307 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.721 -4.196 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.412 -5.140 3.444 1.00 0.00 H new ATOM 404 N VAL A 50 2.987 -2.932 4.852 1.00 0.00 N ATOM 405 CA VAL A 50 2.283 -2.523 6.057 1.00 0.00 C ATOM 406 C VAL A 50 2.408 -3.551 7.173 1.00 0.00 C ATOM 407 O VAL A 50 2.616 -4.743 6.926 1.00 0.00 O ATOM 408 CB VAL A 50 0.786 -2.262 5.776 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.613 -1.090 4.822 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.116 -3.505 5.211 1.00 0.00 C ATOM 0 H VAL A 50 2.701 -3.837 4.479 1.00 0.00 H new ATOM 0 HA VAL A 50 2.756 -1.597 6.383 1.00 0.00 H new ATOM 0 HB VAL A 50 0.306 -2.012 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.449 -0.924 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.049 -0.194 5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.114 -1.311 3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.937 -3.296 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.603 -3.789 4.278 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.201 -4.322 5.928 1.00 0.00 H new ATOM 420 N TYR A 51 2.289 -3.067 8.402 1.00 0.00 N ATOM 421 CA TYR A 51 2.318 -3.917 9.579 1.00 0.00 C ATOM 422 C TYR A 51 0.925 -3.971 10.189 1.00 0.00 C ATOM 423 O TYR A 51 0.440 -2.976 10.730 1.00 0.00 O ATOM 424 CB TYR A 51 3.314 -3.370 10.611 1.00 0.00 C ATOM 425 CG TYR A 51 3.661 -4.344 11.726 1.00 0.00 C ATOM 426 CD1 TYR A 51 2.763 -4.620 12.752 1.00 0.00 C ATOM 427 CD2 TYR A 51 4.895 -4.984 11.752 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.084 -5.506 13.764 1.00 0.00 C ATOM 429 CE2 TYR A 51 5.222 -5.869 12.760 1.00 0.00 C ATOM 430 CZ TYR A 51 4.316 -6.128 13.763 1.00 0.00 C ATOM 431 OH TYR A 51 4.646 -7.009 14.769 1.00 0.00 O ATOM 0 H TYR A 51 2.170 -2.075 8.608 1.00 0.00 H new ATOM 0 HA TYR A 51 2.635 -4.919 9.289 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.231 -3.084 10.096 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.900 -2.463 11.053 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.799 -4.134 12.758 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.611 -4.785 10.969 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.374 -5.710 14.552 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.186 -6.356 12.761 1.00 0.00 H new ATOM 0 HH TYR A 51 5.549 -7.358 14.615 1.00 0.00 H new ATOM 441 N LEU A 52 0.284 -5.125 10.093 1.00 0.00 N ATOM 442 CA LEU A 52 -1.053 -5.294 10.644 1.00 0.00 C ATOM 443 C LEU A 52 -0.970 -5.843 12.061 1.00 0.00 C ATOM 444 O LEU A 52 -1.298 -5.159 13.027 1.00 0.00 O ATOM 445 CB LEU A 52 -1.912 -6.226 9.773 1.00 0.00 C ATOM 446 CG LEU A 52 -2.344 -5.666 8.415 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.219 -5.773 7.400 1.00 0.00 C ATOM 448 CD2 LEU A 52 -3.587 -6.388 7.922 1.00 0.00 C ATOM 0 H LEU A 52 0.665 -5.956 9.641 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.530 -4.314 10.660 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.355 -7.148 9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.807 -6.493 10.335 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.582 -4.609 8.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.552 -5.368 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.356 -5.208 7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.941 -6.819 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.885 -5.981 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.373 -7.452 7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.396 -6.250 8.639 1.00 0.00 H new ATOM 460 N LYS A 53 -0.513 -7.078 12.174 1.00 0.00 N ATOM 461 CA LYS A 53 -0.385 -7.745 13.460 1.00 0.00 C ATOM 462 C LYS A 53 0.543 -8.938 13.314 1.00 0.00 C ATOM 463 O LYS A 53 1.361 -9.227 14.191 1.00 0.00 O ATOM 464 CB LYS A 53 -1.762 -8.188 13.976 1.00 0.00 C ATOM 465 CG LYS A 53 -1.698 -9.099 15.189 1.00 0.00 C ATOM 466 CD LYS A 53 -3.077 -9.374 15.761 1.00 0.00 C ATOM 467 CE LYS A 53 -3.037 -10.481 16.802 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.973 -10.257 17.819 1.00 0.00 N ATOM 0 H LYS A 53 -0.220 -7.647 11.379 1.00 0.00 H new ATOM 0 HA LYS A 53 0.036 -7.051 14.187 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.347 -7.303 14.228 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.292 -8.703 13.174 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.225 -10.041 14.911 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.072 -8.641 15.955 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.474 -8.464 16.211 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.757 -9.654 14.956 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.005 -10.545 17.299 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.869 -11.437 16.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.119 -10.902 18.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.042 -10.439 17.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.014 -9.273 18.154 1.00 0.00 H new ATOM 481 N ASP A 54 0.415 -9.606 12.180 1.00 0.00 N ATOM 482 CA ASP A 54 1.265 -10.735 11.838 1.00 0.00 C ATOM 483 C ASP A 54 2.708 -10.273 11.682 1.00 0.00 C ATOM 484 O ASP A 54 3.633 -10.884 12.217 1.00 0.00 O ATOM 485 CB ASP A 54 0.778 -11.380 10.535 1.00 0.00 C ATOM 486 CG ASP A 54 0.777 -10.398 9.374 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.052 -9.382 9.456 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.526 -10.619 8.398 1.00 0.00 O ATOM 0 H ASP A 54 -0.282 -9.381 11.470 1.00 0.00 H new ATOM 0 HA ASP A 54 1.215 -11.472 12.640 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.417 -12.229 10.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.229 -11.771 10.679 1.00 0.00 H new ATOM 493 N GLY A 55 2.884 -9.171 10.973 1.00 0.00 N ATOM 494 CA GLY A 55 4.201 -8.653 10.701 1.00 0.00 C ATOM 495 C GLY A 55 4.165 -7.672 9.555 1.00 0.00 C ATOM 496 O GLY A 55 3.223 -6.886 9.449 1.00 0.00 O ATOM 0 H GLY A 55 2.123 -8.620 10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.595 -8.164 11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.877 -9.474 10.462 1.00 0.00 H new ATOM 500 N TRP A 56 5.168 -7.720 8.694 1.00 0.00 N ATOM 501 CA TRP A 56 5.216 -6.838 7.539 1.00 0.00 C ATOM 502 C TRP A 56 4.808 -7.586 6.280 1.00 0.00 C ATOM 503 O TRP A 56 5.366 -8.633 5.958 1.00 0.00 O ATOM 504 CB TRP A 56 6.615 -6.241 7.367 1.00 0.00 C ATOM 505 CG TRP A 56 6.960 -5.236 8.421 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.682 -5.452 9.558 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.584 -3.854 8.440 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.783 -4.288 10.279 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.115 -3.293 9.616 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.852 -3.037 7.576 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.935 -1.951 9.948 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.675 -1.708 7.906 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.213 -1.177 9.082 1.00 0.00 C ATOM 0 H TRP A 56 5.959 -8.359 8.772 1.00 0.00 H new ATOM 0 HA TRP A 56 4.512 -6.023 7.707 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.351 -7.045 7.386 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.684 -5.769 6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.111 -6.400 9.848 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.276 -4.181 11.166 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.432 -3.438 6.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.350 -1.538 10.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.111 -1.068 7.244 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.055 -0.134 9.311 1.00 0.00 H new ATOM 524 N HIS A 57 3.816 -7.054 5.586 1.00 0.00 N ATOM 525 CA HIS A 57 3.351 -7.642 4.339 1.00 0.00 C ATOM 526 C HIS A 57 3.078 -6.556 3.309 1.00 0.00 C ATOM 527 O HIS A 57 2.680 -5.442 3.653 1.00 0.00 O ATOM 528 CB HIS A 57 2.093 -8.486 4.568 1.00 0.00 C ATOM 529 CG HIS A 57 2.367 -9.958 4.668 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.198 -10.689 5.824 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.788 -10.840 3.729 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.502 -11.951 5.594 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.861 -12.071 4.328 1.00 0.00 N ATOM 0 H HIS A 57 3.314 -6.211 5.866 1.00 0.00 H new ATOM 0 HA HIS A 57 4.136 -8.296 3.959 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.604 -8.153 5.483 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.394 -8.310 3.751 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.886 -10.312 6.719 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.023 -10.615 2.699 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.464 -12.752 6.318 1.00 0.00 H new ATOM 541 N MET A 58 3.303 -6.887 2.048 1.00 0.00 N ATOM 542 CA MET A 58 3.150 -5.932 0.960 1.00 0.00 C ATOM 543 C MET A 58 1.707 -5.896 0.470 1.00 0.00 C ATOM 544 O MET A 58 1.030 -6.919 0.449 1.00 0.00 O ATOM 545 CB MET A 58 4.080 -6.302 -0.198 1.00 0.00 C ATOM 546 CG MET A 58 5.561 -6.215 0.143 1.00 0.00 C ATOM 547 SD MET A 58 6.611 -6.908 -1.151 1.00 0.00 S ATOM 548 CE MET A 58 6.043 -5.986 -2.575 1.00 0.00 C ATOM 0 H MET A 58 3.595 -7.818 1.750 1.00 0.00 H new ATOM 0 HA MET A 58 3.415 -4.943 1.334 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.852 -7.317 -0.523 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.873 -5.643 -1.041 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.832 -5.172 0.306 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.747 -6.743 1.078 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.759 -6.097 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.071 -6.366 -2.891 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.952 -4.932 -2.313 1.00 0.00 H new ATOM 558 N VAL A 59 1.244 -4.721 0.075 1.00 0.00 N ATOM 559 CA VAL A 59 -0.119 -4.562 -0.421 1.00 0.00 C ATOM 560 C VAL A 59 -0.155 -4.716 -1.943 1.00 0.00 C ATOM 561 O VAL A 59 0.751 -4.261 -2.642 1.00 0.00 O ATOM 562 CB VAL A 59 -0.704 -3.183 -0.029 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.130 -3.022 -0.541 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.665 -2.992 1.480 1.00 0.00 C ATOM 0 H VAL A 59 1.791 -3.860 0.087 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.728 -5.341 0.038 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.085 -2.417 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.513 -2.044 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.138 -3.106 -1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.761 -3.801 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.081 -2.017 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.253 -3.774 1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.367 -3.048 1.827 1.00 0.00 H new ATOM 574 N CYS A 60 -1.189 -5.384 -2.443 1.00 0.00 N ATOM 575 CA CYS A 60 -1.381 -5.556 -3.883 1.00 0.00 C ATOM 576 C CYS A 60 -2.331 -4.508 -4.456 1.00 0.00 C ATOM 577 O CYS A 60 -3.200 -3.986 -3.749 1.00 0.00 O ATOM 578 CB CYS A 60 -1.947 -6.939 -4.180 1.00 0.00 C ATOM 579 SG CYS A 60 -0.715 -8.269 -4.270 1.00 0.00 S ATOM 0 H CYS A 60 -1.912 -5.819 -1.870 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.404 -5.439 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.675 -7.190 -3.409 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.486 -6.899 -5.127 1.00 0.00 H new ATOM 584 N SER A 61 -2.178 -4.233 -5.751 1.00 0.00 N ATOM 585 CA SER A 61 -3.025 -3.277 -6.460 1.00 0.00 C ATOM 586 C SER A 61 -4.328 -3.928 -6.930 1.00 0.00 C ATOM 587 O SER A 61 -4.775 -3.716 -8.054 1.00 0.00 O ATOM 588 CB SER A 61 -2.266 -2.701 -7.654 1.00 0.00 C ATOM 589 OG SER A 61 -1.008 -2.190 -7.254 1.00 0.00 O ATOM 0 H SER A 61 -1.464 -4.666 -6.337 1.00 0.00 H new ATOM 0 HA SER A 61 -3.283 -2.473 -5.770 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.125 -3.475 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.855 -1.909 -8.116 1.00 0.00 H new ATOM 0 HG SER A 61 -0.303 -2.823 -7.505 1.00 0.00 H new ATOM 595 N GLN A 62 -4.906 -4.753 -6.071 1.00 0.00 N ATOM 596 CA GLN A 62 -6.235 -5.304 -6.299 1.00 0.00 C ATOM 597 C GLN A 62 -6.987 -5.288 -4.972 1.00 0.00 C ATOM 598 O GLN A 62 -7.820 -6.147 -4.681 1.00 0.00 O ATOM 599 CB GLN A 62 -6.149 -6.727 -6.880 1.00 0.00 C ATOM 600 CG GLN A 62 -7.493 -7.317 -7.299 1.00 0.00 C ATOM 601 CD GLN A 62 -8.229 -6.466 -8.319 1.00 0.00 C ATOM 602 OE1 GLN A 62 -9.013 -5.581 -7.964 1.00 0.00 O ATOM 603 NE2 GLN A 62 -8.005 -6.743 -9.592 1.00 0.00 N ATOM 0 H GLN A 62 -4.471 -5.059 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.771 -4.700 -7.031 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.486 -6.714 -7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.693 -7.383 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.332 -8.312 -7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.120 -7.438 -6.416 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.349 -7.482 -9.845 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -8.488 -6.218 -10.321 1.00 0.00 H new ATOM 612 N SER A 63 -6.677 -4.288 -4.165 1.00 0.00 N ATOM 613 CA SER A 63 -7.252 -4.177 -2.844 1.00 0.00 C ATOM 614 C SER A 63 -8.418 -3.197 -2.854 1.00 0.00 C ATOM 615 O SER A 63 -8.413 -2.227 -3.611 1.00 0.00 O ATOM 616 CB SER A 63 -6.183 -3.723 -1.847 1.00 0.00 C ATOM 617 OG SER A 63 -5.116 -4.659 -1.785 1.00 0.00 O ATOM 0 H SER A 63 -6.027 -3.540 -4.407 1.00 0.00 H new ATOM 0 HA SER A 63 -7.626 -5.154 -2.539 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.798 -2.746 -2.140 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.628 -3.607 -0.859 1.00 0.00 H new ATOM 0 HG SER A 63 -4.445 -4.436 -2.464 1.00 0.00 H new ATOM 623 N TRP A 64 -9.419 -3.477 -2.025 1.00 0.00 N ATOM 624 CA TRP A 64 -10.576 -2.593 -1.841 1.00 0.00 C ATOM 625 C TRP A 64 -11.347 -2.395 -3.143 1.00 0.00 C ATOM 626 O TRP A 64 -12.017 -1.378 -3.333 1.00 0.00 O ATOM 627 CB TRP A 64 -10.122 -1.237 -1.290 1.00 0.00 C ATOM 628 CG TRP A 64 -9.237 -1.354 -0.087 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.566 -1.896 1.122 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.877 -0.921 0.024 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.497 -1.822 1.975 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.447 -1.230 1.327 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.980 -0.301 -0.852 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.163 -0.941 1.775 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.704 -0.014 -0.405 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.306 -0.336 0.897 1.00 0.00 C ATOM 0 H TRP A 64 -9.455 -4.324 -1.458 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.246 -3.070 -1.125 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.591 -0.694 -2.072 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.000 -0.645 -1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.528 -2.321 1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.485 -2.155 2.939 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.279 -0.051 -1.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.853 -1.185 2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.003 0.466 -1.071 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.301 -0.102 1.216 1.00 0.00 H new ATOM 647 N GLY A 65 -11.241 -3.369 -4.037 1.00 0.00 N ATOM 648 CA GLY A 65 -11.919 -3.281 -5.315 1.00 0.00 C ATOM 649 C GLY A 65 -11.269 -2.276 -6.243 1.00 0.00 C ATOM 650 O GLY A 65 -11.891 -1.811 -7.195 1.00 0.00 O ATOM 0 H GLY A 65 -10.696 -4.220 -3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.922 -4.262 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.960 -3.002 -5.153 1.00 0.00 H new ATOM 654 N ARG A 66 -10.021 -1.928 -5.957 1.00 0.00 N ATOM 655 CA ARG A 66 -9.291 -0.988 -6.784 1.00 0.00 C ATOM 656 C ARG A 66 -8.429 -1.731 -7.790 1.00 0.00 C ATOM 657 O ARG A 66 -7.660 -2.620 -7.429 1.00 0.00 O ATOM 658 CB ARG A 66 -8.421 -0.065 -5.926 1.00 0.00 C ATOM 659 CG ARG A 66 -9.212 0.802 -4.957 1.00 0.00 C ATOM 660 CD ARG A 66 -10.205 1.694 -5.690 1.00 0.00 C ATOM 661 NE ARG A 66 -11.014 2.492 -4.769 1.00 0.00 N ATOM 662 CZ ARG A 66 -12.224 2.132 -4.349 1.00 0.00 C ATOM 663 NH1 ARG A 66 -12.727 0.958 -4.705 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.929 2.935 -3.570 1.00 0.00 N ATOM 0 H ARG A 66 -9.497 -2.285 -5.158 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.015 -0.375 -7.321 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.713 -0.671 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.836 0.580 -6.582 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.745 0.166 -4.250 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.526 1.419 -4.376 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.665 2.358 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.860 1.077 -6.305 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.629 3.374 -4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.186 0.331 -5.301 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.655 0.682 -4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.546 3.837 -3.287 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.856 2.652 -3.252 1.00 0.00 H new ATOM 677 N SER A 67 -8.592 -1.367 -9.050 1.00 0.00 N ATOM 678 CA SER A 67 -7.840 -1.969 -10.140 1.00 0.00 C ATOM 679 C SER A 67 -6.352 -1.635 -10.040 1.00 0.00 C ATOM 680 O SER A 67 -5.955 -0.730 -9.304 1.00 0.00 O ATOM 681 CB SER A 67 -8.401 -1.465 -11.467 1.00 0.00 C ATOM 682 OG SER A 67 -8.508 -0.051 -11.477 1.00 0.00 O ATOM 0 H SER A 67 -9.249 -0.646 -9.348 1.00 0.00 H new ATOM 0 HA SER A 67 -7.940 -3.053 -10.078 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.756 -1.789 -12.284 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.382 -1.907 -11.641 1.00 0.00 H new ATOM 0 HG SER A 67 -8.868 0.244 -12.339 1.00 0.00 H new ATOM 688 N SER A 68 -5.539 -2.360 -10.805 1.00 0.00 N ATOM 689 CA SER A 68 -4.093 -2.169 -10.799 1.00 0.00 C ATOM 690 C SER A 68 -3.707 -0.934 -11.617 1.00 0.00 C ATOM 691 O SER A 68 -2.859 -0.996 -12.509 1.00 0.00 O ATOM 692 CB SER A 68 -3.399 -3.422 -11.352 1.00 0.00 C ATOM 693 OG SER A 68 -1.988 -3.332 -11.236 1.00 0.00 O ATOM 0 H SER A 68 -5.861 -3.090 -11.441 1.00 0.00 H new ATOM 0 HA SER A 68 -3.765 -2.009 -9.772 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.753 -4.302 -10.815 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.671 -3.557 -12.399 1.00 0.00 H new ATOM 0 HG SER A 68 -1.666 -2.562 -11.750 1.00 0.00 H new ATOM 699 N LYS A 69 -4.338 0.183 -11.299 1.00 0.00 N ATOM 700 CA LYS A 69 -4.091 1.448 -11.971 1.00 0.00 C ATOM 701 C LYS A 69 -3.852 2.524 -10.922 1.00 0.00 C ATOM 702 O LYS A 69 -4.195 2.340 -9.754 1.00 0.00 O ATOM 703 CB LYS A 69 -5.296 1.833 -12.843 1.00 0.00 C ATOM 704 CG LYS A 69 -5.580 0.880 -14.001 1.00 0.00 C ATOM 705 CD LYS A 69 -4.850 1.287 -15.279 1.00 0.00 C ATOM 706 CE LYS A 69 -3.354 1.020 -15.212 1.00 0.00 C ATOM 707 NZ LYS A 69 -3.048 -0.435 -15.143 1.00 0.00 N ATOM 0 H LYS A 69 -5.041 0.239 -10.562 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.215 1.352 -12.613 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.182 1.887 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.130 2.832 -13.246 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.280 -0.129 -13.720 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.653 0.852 -14.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.274 0.744 -16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.017 2.348 -15.466 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.870 1.451 -16.088 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.936 1.520 -14.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.080 -0.603 -15.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.130 -0.761 -14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.720 -0.960 -15.739 1.00 0.00 H new ATOM 720 N GLN A 70 -3.262 3.635 -11.327 1.00 0.00 N ATOM 721 CA GLN A 70 -3.044 4.744 -10.412 1.00 0.00 C ATOM 722 C GLN A 70 -4.310 5.591 -10.357 1.00 0.00 C ATOM 723 O GLN A 70 -4.606 6.334 -11.297 1.00 0.00 O ATOM 724 CB GLN A 70 -1.848 5.596 -10.858 1.00 0.00 C ATOM 725 CG GLN A 70 -0.567 4.798 -11.078 1.00 0.00 C ATOM 726 CD GLN A 70 0.630 5.683 -11.365 1.00 0.00 C ATOM 727 OE1 GLN A 70 0.886 6.051 -12.512 1.00 0.00 O ATOM 728 NE2 GLN A 70 1.396 5.995 -10.333 1.00 0.00 N ATOM 0 H GLN A 70 -2.927 3.794 -12.277 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.818 4.353 -9.420 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.107 6.111 -11.783 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.661 6.364 -10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.364 4.194 -10.194 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.712 4.108 -11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.149 5.670 -9.398 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.234 6.560 -10.472 1.00 0.00 H new ATOM 737 N TRP A 71 -5.068 5.463 -9.273 1.00 0.00 N ATOM 738 CA TRP A 71 -6.370 6.111 -9.182 1.00 0.00 C ATOM 739 C TRP A 71 -6.248 7.617 -8.959 1.00 0.00 C ATOM 740 O TRP A 71 -5.203 8.131 -8.560 1.00 0.00 O ATOM 741 CB TRP A 71 -7.243 5.466 -8.096 1.00 0.00 C ATOM 742 CG TRP A 71 -6.555 5.257 -6.783 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.343 6.187 -5.809 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.013 4.027 -6.291 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.695 5.613 -4.744 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.482 4.287 -5.015 1.00 0.00 C ATOM 747 CE3 TRP A 71 -5.923 2.732 -6.807 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.871 3.298 -4.250 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.316 1.753 -6.046 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.798 2.040 -4.782 1.00 0.00 C ATOM 0 H TRP A 71 -4.805 4.920 -8.451 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.862 5.964 -10.143 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.121 6.092 -7.935 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.601 4.503 -8.461 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -6.641 7.223 -5.867 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.417 6.095 -3.889 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.321 2.501 -7.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.469 3.516 -3.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.241 0.748 -6.435 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.329 1.252 -4.212 1.00 0.00 H new ATOM 761 N GLU A 72 -7.358 8.294 -9.226 1.00 0.00 N ATOM 762 CA GLU A 72 -7.399 9.744 -9.380 1.00 0.00 C ATOM 763 C GLU A 72 -7.140 10.499 -8.075 1.00 0.00 C ATOM 764 O GLU A 72 -6.682 11.642 -8.104 1.00 0.00 O ATOM 765 CB GLU A 72 -8.766 10.133 -9.944 1.00 0.00 C ATOM 766 CG GLU A 72 -8.864 11.569 -10.412 1.00 0.00 C ATOM 767 CD GLU A 72 -10.265 11.920 -10.856 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.646 11.551 -11.988 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.005 12.542 -10.063 1.00 0.00 O ATOM 0 H GLU A 72 -8.267 7.846 -9.343 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.596 10.028 -10.060 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.001 9.474 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.523 9.960 -9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.561 12.236 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.170 11.731 -11.237 1.00 0.00 H new ATOM 776 N ASP A 73 -7.428 9.877 -6.939 1.00 0.00 N ATOM 777 CA ASP A 73 -7.299 10.571 -5.662 1.00 0.00 C ATOM 778 C ASP A 73 -6.471 9.771 -4.659 1.00 0.00 C ATOM 779 O ASP A 73 -7.003 8.989 -3.872 1.00 0.00 O ATOM 780 CB ASP A 73 -8.675 10.880 -5.072 1.00 0.00 C ATOM 781 CG ASP A 73 -8.572 11.691 -3.796 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.893 12.739 -3.809 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.174 11.295 -2.779 1.00 0.00 O ATOM 0 H ASP A 73 -7.747 8.910 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.775 11.507 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.269 11.428 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.201 9.947 -4.868 1.00 0.00 H new ATOM 788 N PRO A 74 -5.145 9.949 -4.690 1.00 0.00 N ATOM 789 CA PRO A 74 -4.232 9.341 -3.724 1.00 0.00 C ATOM 790 C PRO A 74 -4.159 10.145 -2.427 1.00 0.00 C ATOM 791 O PRO A 74 -3.502 9.738 -1.468 1.00 0.00 O ATOM 792 CB PRO A 74 -2.871 9.377 -4.442 1.00 0.00 C ATOM 793 CG PRO A 74 -3.145 9.921 -5.810 1.00 0.00 C ATOM 794 CD PRO A 74 -4.408 10.715 -5.694 1.00 0.00 C ATOM 0 HA PRO A 74 -4.551 8.339 -3.435 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.162 10.008 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.432 8.381 -4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.321 10.547 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.256 9.115 -6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.220 11.739 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.945 10.772 -6.641 1.00 0.00 H new ATOM 802 N SER A 75 -4.855 11.278 -2.409 1.00 0.00 N ATOM 803 CA SER A 75 -4.782 12.236 -1.310 1.00 0.00 C ATOM 804 C SER A 75 -5.189 11.620 0.028 1.00 0.00 C ATOM 805 O SER A 75 -4.737 12.059 1.085 1.00 0.00 O ATOM 806 CB SER A 75 -5.680 13.431 -1.614 1.00 0.00 C ATOM 807 OG SER A 75 -5.626 13.769 -2.992 1.00 0.00 O ATOM 0 H SER A 75 -5.487 11.559 -3.158 1.00 0.00 H new ATOM 0 HA SER A 75 -3.743 12.553 -1.222 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.707 13.200 -1.332 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.370 14.286 -1.013 1.00 0.00 H new ATOM 0 HG SER A 75 -6.510 13.642 -3.395 1.00 0.00 H new ATOM 813 N GLN A 76 -6.018 10.587 -0.026 1.00 0.00 N ATOM 814 CA GLN A 76 -6.531 9.952 1.181 1.00 0.00 C ATOM 815 C GLN A 76 -5.426 9.205 1.933 1.00 0.00 C ATOM 816 O GLN A 76 -5.646 8.699 3.032 1.00 0.00 O ATOM 817 CB GLN A 76 -7.671 8.996 0.814 1.00 0.00 C ATOM 818 CG GLN A 76 -8.794 9.667 0.035 1.00 0.00 C ATOM 819 CD GLN A 76 -9.572 10.687 0.854 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.056 11.274 1.805 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.817 10.921 0.472 1.00 0.00 N ATOM 0 H GLN A 76 -6.351 10.169 -0.895 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.910 10.729 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.269 8.173 0.223 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.080 8.563 1.727 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.374 10.160 -0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.481 8.903 -0.328 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.211 10.415 -0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.383 11.608 0.971 1.00 0.00 H new ATOM 830 N ALA A 77 -4.240 9.147 1.336 1.00 0.00 N ATOM 831 CA ALA A 77 -3.100 8.483 1.952 1.00 0.00 C ATOM 832 C ALA A 77 -2.052 9.499 2.401 1.00 0.00 C ATOM 833 O ALA A 77 -0.897 9.149 2.651 1.00 0.00 O ATOM 834 CB ALA A 77 -2.485 7.486 0.983 1.00 0.00 C ATOM 0 H ALA A 77 -4.044 9.554 0.422 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.454 7.948 2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.634 6.997 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.229 6.737 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.151 8.008 0.087 1.00 0.00 H new ATOM 840 N SER A 78 -2.471 10.755 2.509 1.00 0.00 N ATOM 841 CA SER A 78 -1.580 11.844 2.898 1.00 0.00 C ATOM 842 C SER A 78 -0.869 11.566 4.227 1.00 0.00 C ATOM 843 O SER A 78 0.312 11.879 4.382 1.00 0.00 O ATOM 844 CB SER A 78 -2.375 13.149 2.984 1.00 0.00 C ATOM 845 OG SER A 78 -3.621 12.939 3.632 1.00 0.00 O ATOM 0 H SER A 78 -3.432 11.047 2.331 1.00 0.00 H new ATOM 0 HA SER A 78 -0.806 11.931 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.798 13.896 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.543 13.544 1.982 1.00 0.00 H new ATOM 0 HG SER A 78 -4.297 12.688 2.968 1.00 0.00 H new ATOM 851 N LYS A 79 -1.585 10.963 5.175 1.00 0.00 N ATOM 852 CA LYS A 79 -1.017 10.662 6.488 1.00 0.00 C ATOM 853 C LYS A 79 0.160 9.696 6.389 1.00 0.00 C ATOM 854 O LYS A 79 1.084 9.758 7.198 1.00 0.00 O ATOM 855 CB LYS A 79 -2.081 10.103 7.435 1.00 0.00 C ATOM 856 CG LYS A 79 -3.073 11.150 7.916 1.00 0.00 C ATOM 857 CD LYS A 79 -2.360 12.346 8.532 1.00 0.00 C ATOM 858 CE LYS A 79 -3.336 13.335 9.146 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.926 12.827 10.412 1.00 0.00 N ATOM 0 H LYS A 79 -2.556 10.674 5.059 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.646 11.602 6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.624 9.305 6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.589 9.656 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.689 11.482 7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.745 10.707 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.665 11.999 9.297 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.767 12.848 7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.823 14.277 9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.134 13.546 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.506 13.572 10.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.521 11.999 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.164 12.554 11.065 1.00 0.00 H new ATOM 872 N VAL A 80 0.133 8.816 5.393 1.00 0.00 N ATOM 873 CA VAL A 80 1.240 7.896 5.174 1.00 0.00 C ATOM 874 C VAL A 80 2.479 8.679 4.756 1.00 0.00 C ATOM 875 O VAL A 80 3.562 8.496 5.312 1.00 0.00 O ATOM 876 CB VAL A 80 0.912 6.834 4.095 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.120 5.943 3.820 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.284 5.990 4.515 1.00 0.00 C ATOM 0 H VAL A 80 -0.637 8.722 4.731 1.00 0.00 H new ATOM 0 HA VAL A 80 1.422 7.370 6.111 1.00 0.00 H new ATOM 0 HB VAL A 80 0.659 7.360 3.174 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.863 5.206 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.950 6.555 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.411 5.431 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.497 5.251 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.059 5.481 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.153 6.633 4.651 1.00 0.00 H new ATOM 888 N CYS A 81 2.297 9.579 3.796 1.00 0.00 N ATOM 889 CA CYS A 81 3.383 10.422 3.318 1.00 0.00 C ATOM 890 C CYS A 81 3.927 11.295 4.444 1.00 0.00 C ATOM 891 O CYS A 81 5.136 11.484 4.565 1.00 0.00 O ATOM 892 CB CYS A 81 2.905 11.301 2.162 1.00 0.00 C ATOM 893 SG CYS A 81 2.209 10.368 0.761 1.00 0.00 S ATOM 0 H CYS A 81 1.403 9.743 3.333 1.00 0.00 H new ATOM 0 HA CYS A 81 4.184 9.774 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.151 11.994 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.742 11.902 1.805 1.00 0.00 H new ATOM 898 N GLN A 82 3.031 11.809 5.278 1.00 0.00 N ATOM 899 CA GLN A 82 3.427 12.661 6.392 1.00 0.00 C ATOM 900 C GLN A 82 4.247 11.876 7.413 1.00 0.00 C ATOM 901 O GLN A 82 5.231 12.384 7.947 1.00 0.00 O ATOM 902 CB GLN A 82 2.195 13.279 7.056 1.00 0.00 C ATOM 903 CG GLN A 82 2.517 14.174 8.248 1.00 0.00 C ATOM 904 CD GLN A 82 1.304 14.916 8.769 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.389 15.256 7.876 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 1.198 15.199 9.963 1.00 0.00 N flip ATOM 0 H GLN A 82 2.026 11.651 5.204 1.00 0.00 H new ATOM 0 HA GLN A 82 4.051 13.464 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.649 13.862 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.532 12.479 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.938 13.567 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.282 14.895 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.926 14.919 10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.382 15.714 10.295 1.00 0.00 H new ATOM 915 N ARG A 83 3.854 10.629 7.663 1.00 0.00 N ATOM 916 CA ARG A 83 4.587 9.763 8.588 1.00 0.00 C ATOM 917 C ARG A 83 5.995 9.481 8.067 1.00 0.00 C ATOM 918 O ARG A 83 6.925 9.261 8.842 1.00 0.00 O ATOM 919 CB ARG A 83 3.831 8.448 8.820 1.00 0.00 C ATOM 920 CG ARG A 83 2.620 8.587 9.733 1.00 0.00 C ATOM 921 CD ARG A 83 3.031 8.706 11.194 1.00 0.00 C ATOM 922 NE ARG A 83 1.925 9.137 12.045 1.00 0.00 N ATOM 923 CZ ARG A 83 1.830 8.855 13.341 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.722 8.064 13.923 1.00 0.00 N ATOM 925 NH2 ARG A 83 0.838 9.356 14.059 1.00 0.00 N ATOM 0 H ARG A 83 3.034 10.195 7.240 1.00 0.00 H new ATOM 0 HA ARG A 83 4.670 10.285 9.541 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.505 8.053 7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.516 7.717 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.044 9.466 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.967 7.723 9.607 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.403 7.743 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.853 9.417 11.282 1.00 0.00 H new ATOM 0 HE ARG A 83 1.180 9.688 11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.486 7.668 13.376 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.643 7.852 14.918 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.144 9.960 13.619 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.767 9.138 15.053 1.00 0.00 H new ATOM 938 N LEU A 84 6.146 9.500 6.749 1.00 0.00 N ATOM 939 CA LEU A 84 7.453 9.310 6.129 1.00 0.00 C ATOM 940 C LEU A 84 8.157 10.646 5.903 1.00 0.00 C ATOM 941 O LEU A 84 9.202 10.707 5.252 1.00 0.00 O ATOM 942 CB LEU A 84 7.322 8.561 4.801 1.00 0.00 C ATOM 943 CG LEU A 84 7.343 7.029 4.899 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.112 6.500 5.622 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.444 6.415 3.516 1.00 0.00 C ATOM 0 H LEU A 84 5.382 9.645 6.089 1.00 0.00 H new ATOM 0 HA LEU A 84 8.056 8.713 6.813 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.390 8.864 4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.133 8.876 4.145 1.00 0.00 H new ATOM 0 HG LEU A 84 8.220 6.744 5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.160 5.412 5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.079 6.910 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.215 6.799 5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.458 5.328 3.600 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.586 6.722 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.361 6.753 3.034 1.00 0.00 H new ATOM 957 N ASN A 85 7.565 11.708 6.447 1.00 0.00 N ATOM 958 CA ASN A 85 8.111 13.062 6.353 1.00 0.00 C ATOM 959 C ASN A 85 8.230 13.504 4.892 1.00 0.00 C ATOM 960 O ASN A 85 9.264 14.006 4.448 1.00 0.00 O ATOM 961 CB ASN A 85 9.465 13.148 7.068 1.00 0.00 C ATOM 962 CG ASN A 85 9.959 14.576 7.241 1.00 0.00 C ATOM 963 OD1 ASN A 85 9.035 15.519 7.384 1.00 0.00 O flip ATOM 964 ND2 ASN A 85 11.162 14.829 7.250 1.00 0.00 N flip ATOM 0 H ASN A 85 6.690 11.654 6.968 1.00 0.00 H new ATOM 0 HA ASN A 85 7.421 13.744 6.851 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.382 12.677 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.204 12.580 6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 85 11.842 14.077 7.137 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.480 15.791 7.370 1.00 0.00 H new ATOM 971 N CYS A 86 7.160 13.300 4.147 1.00 0.00 N ATOM 972 CA CYS A 86 7.091 13.733 2.764 1.00 0.00 C ATOM 973 C CYS A 86 5.950 14.723 2.585 1.00 0.00 C ATOM 974 O CYS A 86 5.252 15.047 3.550 1.00 0.00 O ATOM 975 CB CYS A 86 6.896 12.528 1.842 1.00 0.00 C ATOM 976 SG CYS A 86 8.286 11.353 1.833 1.00 0.00 S ATOM 0 H CYS A 86 6.318 12.832 4.481 1.00 0.00 H new ATOM 0 HA CYS A 86 8.028 14.224 2.501 1.00 0.00 H new ATOM 0 HB2 CYS A 86 5.991 11.999 2.142 1.00 0.00 H new ATOM 0 HB3 CYS A 86 6.733 12.887 0.826 1.00 0.00 H new ATOM 981 N GLY A 87 5.770 15.209 1.367 1.00 0.00 N ATOM 982 CA GLY A 87 4.682 16.119 1.090 1.00 0.00 C ATOM 983 C GLY A 87 3.412 15.386 0.714 1.00 0.00 C ATOM 984 O GLY A 87 3.169 14.274 1.188 1.00 0.00 O ATOM 0 H GLY A 87 6.360 14.988 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.496 16.740 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.967 16.789 0.279 1.00 0.00 H new ATOM 988 N ASP A 88 2.608 15.998 -0.143 1.00 0.00 N ATOM 989 CA ASP A 88 1.358 15.393 -0.597 1.00 0.00 C ATOM 990 C ASP A 88 1.621 14.170 -1.465 1.00 0.00 C ATOM 991 O ASP A 88 2.670 14.058 -2.103 1.00 0.00 O ATOM 992 CB ASP A 88 0.520 16.405 -1.383 1.00 0.00 C ATOM 993 CG ASP A 88 -0.121 17.452 -0.496 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.173 17.159 0.111 1.00 0.00 O ATOM 995 OD2 ASP A 88 0.412 18.576 -0.415 1.00 0.00 O ATOM 0 H ASP A 88 2.798 16.918 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 88 0.806 15.081 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.153 16.899 -2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.258 15.876 -1.933 1.00 0.00 H new ATOM 1000 N PRO A 89 0.670 13.226 -1.480 1.00 0.00 N ATOM 1001 CA PRO A 89 0.760 12.034 -2.316 1.00 0.00 C ATOM 1002 C PRO A 89 0.567 12.361 -3.797 1.00 0.00 C ATOM 1003 O PRO A 89 -0.465 12.899 -4.204 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.364 11.134 -1.800 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.332 12.043 -1.124 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.558 13.250 -0.668 1.00 0.00 C ATOM 0 HA PRO A 89 1.741 11.563 -2.254 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.840 10.594 -2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.021 10.386 -1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.131 12.333 -1.807 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.802 11.544 -0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.123 14.168 -0.829 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.331 13.198 0.397 1.00 0.00 H new ATOM 1014 N LEU A 90 1.574 12.028 -4.592 1.00 0.00 N ATOM 1015 CA LEU A 90 1.584 12.349 -6.010 1.00 0.00 C ATOM 1016 C LEU A 90 0.718 11.356 -6.770 1.00 0.00 C ATOM 1017 O LEU A 90 -0.146 11.741 -7.558 1.00 0.00 O ATOM 1018 CB LEU A 90 3.030 12.318 -6.533 1.00 0.00 C ATOM 1019 CG LEU A 90 3.299 13.053 -7.854 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.794 13.250 -8.048 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.725 12.291 -9.039 1.00 0.00 C ATOM 0 H LEU A 90 2.404 11.529 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 90 1.177 13.349 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.678 12.745 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.325 11.276 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 90 2.807 14.024 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.973 13.772 -8.988 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.193 13.840 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.289 12.279 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.933 12.838 -9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.183 11.303 -9.093 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.647 12.185 -8.916 1.00 0.00 H new ATOM 1033 N SER A 91 0.946 10.077 -6.522 1.00 0.00 N ATOM 1034 CA SER A 91 0.211 9.029 -7.205 1.00 0.00 C ATOM 1035 C SER A 91 0.195 7.757 -6.368 1.00 0.00 C ATOM 1036 O SER A 91 1.126 7.497 -5.599 1.00 0.00 O ATOM 1037 CB SER A 91 0.826 8.764 -8.583 1.00 0.00 C ATOM 1038 OG SER A 91 2.234 8.616 -8.499 1.00 0.00 O ATOM 0 H SER A 91 1.636 9.740 -5.851 1.00 0.00 H new ATOM 0 HA SER A 91 -0.819 9.357 -7.344 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.388 7.862 -9.012 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.584 9.587 -9.256 1.00 0.00 H new ATOM 0 HG SER A 91 2.599 8.446 -9.393 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.866 6.978 -6.511 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.027 5.745 -5.757 1.00 0.00 C ATOM 1046 C LEU A 92 -1.542 4.657 -6.690 1.00 0.00 C ATOM 1047 O LEU A 92 -2.601 4.809 -7.299 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.013 5.962 -4.597 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.682 5.254 -3.275 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.732 5.579 -2.222 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.579 3.750 -3.460 1.00 0.00 C ATOM 0 H LEU A 92 -1.635 7.181 -7.149 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.067 5.441 -5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.081 7.032 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.000 5.633 -4.922 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.712 5.620 -2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.483 5.070 -1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.756 6.655 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.710 5.245 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.344 3.281 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.528 3.363 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.791 3.525 -4.178 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.788 3.580 -6.820 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.183 2.502 -7.706 1.00 0.00 C ATOM 1065 C GLY A 93 -0.197 1.356 -7.676 1.00 0.00 C ATOM 1066 O GLY A 93 0.322 1.024 -6.615 1.00 0.00 O ATOM 0 H GLY A 93 0.093 3.430 -6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.170 2.139 -7.418 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.267 2.882 -8.724 1.00 0.00 H new ATOM 1070 N PRO A 94 0.091 0.730 -8.825 1.00 0.00 N ATOM 1071 CA PRO A 94 1.045 -0.375 -8.899 1.00 0.00 C ATOM 1072 C PRO A 94 2.495 0.109 -8.927 1.00 0.00 C ATOM 1073 O PRO A 94 2.790 1.205 -9.413 1.00 0.00 O ATOM 1074 CB PRO A 94 0.674 -1.059 -10.211 1.00 0.00 C ATOM 1075 CG PRO A 94 0.141 0.036 -11.072 1.00 0.00 C ATOM 1076 CD PRO A 94 -0.495 1.044 -10.143 1.00 0.00 C ATOM 0 HA PRO A 94 0.990 -1.030 -8.030 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.541 -1.535 -10.668 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.072 -1.838 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.940 0.495 -11.654 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -0.589 -0.351 -11.783 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.269 2.066 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -1.581 0.947 -10.131 1.00 0.00 H new ATOM 1084 N PHE A 95 3.392 -0.711 -8.396 1.00 0.00 N ATOM 1085 CA PHE A 95 4.810 -0.384 -8.350 1.00 0.00 C ATOM 1086 C PHE A 95 5.647 -1.618 -8.658 1.00 0.00 C ATOM 1087 O PHE A 95 5.502 -2.651 -8.001 1.00 0.00 O ATOM 1088 CB PHE A 95 5.185 0.167 -6.979 1.00 0.00 C ATOM 1089 CG PHE A 95 5.721 1.569 -7.027 1.00 0.00 C ATOM 1090 CD1 PHE A 95 4.861 2.653 -6.957 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.081 1.804 -7.147 1.00 0.00 C ATOM 1092 CE1 PHE A 95 5.348 3.943 -7.005 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.572 3.092 -7.197 1.00 0.00 C ATOM 1094 CZ PHE A 95 6.705 4.162 -7.124 1.00 0.00 C ATOM 0 H PHE A 95 3.159 -1.616 -7.987 1.00 0.00 H new ATOM 0 HA PHE A 95 5.012 0.378 -9.103 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.307 0.143 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.932 -0.485 -6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.798 2.486 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.764 0.969 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.668 4.780 -6.950 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.634 3.262 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.088 5.171 -7.160 1.00 0.00 H new ATOM 1104 N LEU A 96 6.519 -1.493 -9.652 1.00 0.00 N ATOM 1105 CA LEU A 96 7.356 -2.598 -10.120 1.00 0.00 C ATOM 1106 C LEU A 96 6.508 -3.772 -10.604 1.00 0.00 C ATOM 1107 O LEU A 96 5.277 -3.698 -10.663 1.00 0.00 O ATOM 1108 CB LEU A 96 8.322 -3.067 -9.020 1.00 0.00 C ATOM 1109 CG LEU A 96 9.328 -2.018 -8.524 1.00 0.00 C ATOM 1110 CD1 LEU A 96 10.283 -2.632 -7.510 1.00 0.00 C ATOM 1111 CD2 LEU A 96 10.109 -1.408 -9.684 1.00 0.00 C ATOM 0 H LEU A 96 6.668 -0.621 -10.159 1.00 0.00 H new ATOM 0 HA LEU A 96 7.940 -2.225 -10.961 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.734 -3.411 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.877 -3.928 -9.393 1.00 0.00 H new ATOM 0 HG LEU A 96 8.765 -1.220 -8.039 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.989 -1.874 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.716 -3.009 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.829 -3.453 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.813 -0.669 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.656 -2.193 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.417 -0.926 -10.375 1.00 0.00 H new ATOM 1123 N LYS A 97 7.179 -4.844 -10.983 1.00 0.00 N ATOM 1124 CA LYS A 97 6.515 -6.040 -11.466 1.00 0.00 C ATOM 1125 C LYS A 97 7.171 -7.277 -10.868 1.00 0.00 C ATOM 1126 O LYS A 97 7.581 -8.190 -11.581 1.00 0.00 O ATOM 1127 CB LYS A 97 6.571 -6.086 -12.997 1.00 0.00 C ATOM 1128 CG LYS A 97 5.696 -5.037 -13.671 1.00 0.00 C ATOM 1129 CD LYS A 97 6.074 -4.843 -15.130 1.00 0.00 C ATOM 1130 CE LYS A 97 7.463 -4.239 -15.260 1.00 0.00 C ATOM 1131 NZ LYS A 97 7.856 -4.043 -16.678 1.00 0.00 N ATOM 0 H LYS A 97 8.197 -4.910 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 97 5.470 -6.020 -11.157 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.603 -5.947 -13.319 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.262 -7.076 -13.334 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.650 -5.337 -13.603 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.791 -4.089 -13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 97 6.041 -5.802 -15.648 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.345 -4.194 -15.615 1.00 0.00 H new ATOM 0 HE2 LYS A 97 7.491 -3.281 -14.741 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.188 -4.889 -14.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.809 -3.629 -16.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 7.855 -4.960 -17.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 7.180 -3.402 -17.140 1.00 0.00 H new ATOM 1144 N THR A 98 7.277 -7.285 -9.547 1.00 0.00 N ATOM 1145 CA THR A 98 7.917 -8.382 -8.836 1.00 0.00 C ATOM 1146 C THR A 98 6.979 -9.587 -8.718 1.00 0.00 C ATOM 1147 O THR A 98 7.421 -10.734 -8.663 1.00 0.00 O ATOM 1148 CB THR A 98 8.359 -7.925 -7.433 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.884 -6.592 -7.508 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.420 -8.853 -6.856 1.00 0.00 C ATOM 0 H THR A 98 6.926 -6.541 -8.944 1.00 0.00 H new ATOM 0 HA THR A 98 8.794 -8.684 -9.408 1.00 0.00 H new ATOM 0 HB THR A 98 7.489 -7.951 -6.777 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.164 -6.300 -6.615 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.710 -8.503 -5.866 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.018 -9.863 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.293 -8.858 -7.509 1.00 0.00 H new ATOM 1158 N TYR A 99 5.676 -9.286 -8.670 1.00 0.00 N ATOM 1159 CA TYR A 99 4.599 -10.291 -8.712 1.00 0.00 C ATOM 1160 C TYR A 99 4.756 -11.409 -7.683 1.00 0.00 C ATOM 1161 O TYR A 99 4.255 -12.510 -7.896 1.00 0.00 O ATOM 1162 CB TYR A 99 4.494 -10.910 -10.110 1.00 0.00 C ATOM 1163 CG TYR A 99 3.989 -9.958 -11.173 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.697 -9.447 -11.118 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.800 -9.573 -12.232 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.230 -8.581 -12.086 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.339 -8.707 -13.205 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.054 -8.214 -13.126 1.00 0.00 C ATOM 1169 OH TYR A 99 2.589 -7.348 -14.088 1.00 0.00 O ATOM 0 H TYR A 99 5.332 -8.328 -8.600 1.00 0.00 H new ATOM 0 HA TYR A 99 3.687 -9.750 -8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.476 -11.280 -10.406 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.829 -11.772 -10.064 1.00 0.00 H new ATOM 0 HD1 TYR A 99 2.048 -9.733 -10.304 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.808 -9.957 -12.296 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.224 -8.193 -12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.982 -8.418 -14.023 1.00 0.00 H new ATOM 0 HH TYR A 99 3.292 -7.188 -14.752 1.00 0.00 H new ATOM 1179 N THR A 100 5.423 -11.128 -6.572 1.00 0.00 N ATOM 1180 CA THR A 100 5.640 -12.135 -5.540 1.00 0.00 C ATOM 1181 C THR A 100 4.414 -12.261 -4.632 1.00 0.00 C ATOM 1182 O THR A 100 4.175 -11.405 -3.778 1.00 0.00 O ATOM 1183 CB THR A 100 6.880 -11.790 -4.694 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.976 -11.460 -5.558 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.270 -12.957 -3.799 1.00 0.00 C ATOM 0 H THR A 100 5.823 -10.213 -6.362 1.00 0.00 H new ATOM 0 HA THR A 100 5.806 -13.090 -6.039 1.00 0.00 H new ATOM 0 HB THR A 100 6.638 -10.936 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.643 -10.945 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.148 -12.688 -3.212 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.444 -13.193 -3.128 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.498 -13.827 -4.414 1.00 0.00 H new ATOM 1193 N PRO A 101 3.636 -13.346 -4.787 1.00 0.00 N ATOM 1194 CA PRO A 101 2.359 -13.517 -4.091 1.00 0.00 C ATOM 1195 C PRO A 101 2.516 -14.045 -2.666 1.00 0.00 C ATOM 1196 O PRO A 101 1.536 -14.187 -1.937 1.00 0.00 O ATOM 1197 CB PRO A 101 1.635 -14.535 -4.971 1.00 0.00 C ATOM 1198 CG PRO A 101 2.722 -15.383 -5.538 1.00 0.00 C ATOM 1199 CD PRO A 101 3.941 -14.501 -5.657 1.00 0.00 C ATOM 0 HA PRO A 101 1.830 -12.572 -3.966 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.930 -15.130 -4.391 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.064 -14.043 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.924 -16.237 -4.892 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.435 -15.781 -6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.842 -15.020 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.109 -14.190 -6.688 1.00 0.00 H new ATOM 1207 N GLN A 102 3.747 -14.327 -2.271 1.00 0.00 N ATOM 1208 CA GLN A 102 4.012 -14.835 -0.933 1.00 0.00 C ATOM 1209 C GLN A 102 4.271 -13.682 0.028 1.00 0.00 C ATOM 1210 O GLN A 102 4.044 -13.798 1.231 1.00 0.00 O ATOM 1211 CB GLN A 102 5.208 -15.792 -0.930 1.00 0.00 C ATOM 1212 CG GLN A 102 5.036 -17.006 -1.829 1.00 0.00 C ATOM 1213 CD GLN A 102 6.162 -18.004 -1.662 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.192 -17.913 -2.326 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.968 -18.971 -0.779 1.00 0.00 N ATOM 0 H GLN A 102 4.576 -14.214 -2.854 1.00 0.00 H new ATOM 0 HA GLN A 102 3.131 -15.386 -0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.098 -15.245 -1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.385 -16.132 0.091 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.086 -17.491 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.990 -16.683 -2.869 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.098 -19.010 -0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.689 -19.677 -0.629 1.00 0.00 H new ATOM 1224 N SER A 103 4.736 -12.568 -0.518 1.00 0.00 N ATOM 1225 CA SER A 103 5.083 -11.408 0.290 1.00 0.00 C ATOM 1226 C SER A 103 3.947 -10.387 0.295 1.00 0.00 C ATOM 1227 O SER A 103 3.905 -9.487 1.136 1.00 0.00 O ATOM 1228 CB SER A 103 6.346 -10.763 -0.272 1.00 0.00 C ATOM 1229 OG SER A 103 7.217 -11.750 -0.799 1.00 0.00 O ATOM 0 H SER A 103 4.882 -12.443 -1.520 1.00 0.00 H new ATOM 0 HA SER A 103 5.255 -11.736 1.315 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.081 -10.050 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.855 -10.202 0.512 1.00 0.00 H new ATOM 0 HG SER A 103 8.021 -11.319 -1.157 1.00 0.00 H new ATOM 1235 N SER A 104 3.025 -10.539 -0.641 1.00 0.00 N ATOM 1236 CA SER A 104 1.957 -9.574 -0.818 1.00 0.00 C ATOM 1237 C SER A 104 0.617 -10.113 -0.317 1.00 0.00 C ATOM 1238 O SER A 104 0.428 -11.324 -0.181 1.00 0.00 O ATOM 1239 CB SER A 104 1.865 -9.184 -2.293 1.00 0.00 C ATOM 1240 OG SER A 104 1.837 -10.336 -3.122 1.00 0.00 O ATOM 0 H SER A 104 2.996 -11.325 -1.291 1.00 0.00 H new ATOM 0 HA SER A 104 2.189 -8.691 -0.222 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.967 -8.589 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.716 -8.559 -2.562 1.00 0.00 H new ATOM 0 HG SER A 104 2.742 -10.702 -3.204 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.297 -9.198 -0.019 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.637 -9.547 0.426 1.00 0.00 C ATOM 1248 C ILE A 105 -2.667 -8.701 -0.316 1.00 0.00 C ATOM 1249 O ILE A 105 -2.352 -7.621 -0.826 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.820 -9.338 1.953 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.509 -7.885 2.338 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.952 -10.312 2.747 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.675 -7.588 3.817 1.00 0.00 C ATOM 0 H ILE A 105 -0.129 -8.194 -0.080 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.783 -10.605 0.208 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.861 -9.542 2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.485 -7.654 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.161 -7.222 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.099 -10.144 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.233 -11.335 2.499 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.097 -10.153 2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.437 -6.541 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.705 -7.785 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.003 -8.224 4.393 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.891 -9.195 -0.382 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.981 -8.455 -0.997 1.00 0.00 C ATOM 1267 C ILE A 106 -5.982 -8.030 0.066 1.00 0.00 C ATOM 1268 O ILE A 106 -6.493 -8.863 0.817 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.698 -9.282 -2.090 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.811 -9.412 -3.326 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.034 -8.653 -2.461 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.386 -10.313 -4.403 1.00 0.00 C ATOM 0 H ILE A 106 -4.156 -10.109 -0.016 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.552 -7.575 -1.476 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.891 -10.277 -1.690 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.643 -8.421 -3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.838 -9.799 -3.024 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.518 -9.254 -3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.673 -8.610 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.869 -7.644 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.699 -10.354 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.528 -11.316 -4.001 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.345 -9.917 -4.735 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.237 -6.736 0.142 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.203 -6.213 1.093 1.00 0.00 C ATOM 1286 C CYS A 107 -8.557 -6.018 0.424 1.00 0.00 C ATOM 1287 O CYS A 107 -8.638 -5.777 -0.779 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.704 -4.899 1.697 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.219 -5.085 2.737 1.00 0.00 S ATOM 0 H CYS A 107 -5.790 -6.029 -0.442 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.321 -6.937 1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.486 -4.199 0.891 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.502 -4.458 2.295 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.617 -6.138 1.200 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.966 -6.018 0.682 1.00 0.00 C ATOM 1296 C TYR A 108 -11.720 -4.936 1.441 1.00 0.00 C ATOM 1297 O TYR A 108 -11.267 -4.477 2.491 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.700 -7.355 0.812 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.007 -8.512 0.121 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.159 -8.721 -1.244 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.200 -9.393 0.834 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.529 -9.774 -1.879 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.566 -10.447 0.206 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.733 -10.634 -1.149 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.104 -11.688 -1.776 1.00 0.00 O ATOM 0 H TYR A 108 -9.568 -6.321 2.202 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.916 -5.744 -0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.814 -7.593 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.703 -7.248 0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.780 -8.049 -1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.067 -9.250 1.896 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.659 -9.924 -2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -8.942 -11.121 0.774 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.582 -12.195 -1.119 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.866 -4.533 0.913 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.677 -3.541 1.587 1.00 0.00 C ATOM 1317 C GLY A 109 -13.476 -2.142 1.041 1.00 0.00 C ATOM 1318 O GLY A 109 -13.450 -1.937 -0.173 1.00 0.00 O ATOM 0 H GLY A 109 -13.248 -4.875 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.728 -3.814 1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.440 -3.548 2.651 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.321 -1.185 1.944 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.241 0.224 1.583 1.00 0.00 C ATOM 1324 C GLN A 110 -11.801 0.719 1.601 1.00 0.00 C ATOM 1325 O GLN A 110 -11.013 0.336 2.470 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.085 1.044 2.555 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.558 0.666 2.543 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.347 1.377 3.619 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.879 2.464 3.401 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.426 0.764 4.789 1.00 0.00 N ATOM 0 H GLN A 110 -13.247 -1.362 2.946 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.623 0.343 0.569 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.693 0.915 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.987 2.101 2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.983 0.904 1.568 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.654 -0.411 2.678 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.968 -0.137 4.924 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.945 1.193 5.555 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.478 1.573 0.630 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.139 2.138 0.473 1.00 0.00 C ATOM 1341 C LEU A 111 -9.629 2.737 1.778 1.00 0.00 C ATOM 1342 O LEU A 111 -10.160 3.734 2.266 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.154 3.218 -0.620 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.835 3.976 -0.830 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.765 3.065 -1.418 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.052 5.183 -1.728 1.00 0.00 C ATOM 0 H LEU A 111 -12.143 1.894 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.466 1.330 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.436 2.750 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.932 3.942 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.488 4.321 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.842 3.629 -1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.583 2.232 -0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.103 2.681 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.107 5.708 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.429 4.853 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.776 5.854 -1.267 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.601 2.117 2.338 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.008 2.617 3.560 1.00 0.00 C ATOM 1360 C GLY A 112 -8.219 1.686 4.731 1.00 0.00 C ATOM 1361 O GLY A 112 -7.550 1.811 5.758 1.00 0.00 O ATOM 0 H GLY A 112 -8.166 1.273 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.939 2.766 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.435 3.592 3.794 1.00 0.00 H new ATOM 1365 N SER A 113 -9.143 0.747 4.589 1.00 0.00 N ATOM 1366 CA SER A 113 -9.429 -0.190 5.659 1.00 0.00 C ATOM 1367 C SER A 113 -8.613 -1.469 5.489 1.00 0.00 C ATOM 1368 O SER A 113 -8.893 -2.292 4.621 1.00 0.00 O ATOM 1369 CB SER A 113 -10.924 -0.515 5.707 1.00 0.00 C ATOM 1370 OG SER A 113 -11.252 -1.238 6.886 1.00 0.00 O ATOM 0 H SER A 113 -9.704 0.616 3.747 1.00 0.00 H new ATOM 0 HA SER A 113 -9.146 0.277 6.603 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.502 0.409 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.201 -1.099 4.829 1.00 0.00 H new ATOM 0 HG SER A 113 -12.213 -1.432 6.894 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.605 -1.633 6.333 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.759 -2.823 6.313 1.00 0.00 C ATOM 1378 C PHE A 114 -7.286 -3.840 7.314 1.00 0.00 C ATOM 1379 O PHE A 114 -6.565 -4.724 7.775 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.309 -2.463 6.652 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.621 -1.634 5.606 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.707 -0.249 5.626 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -3.877 -2.240 4.605 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.065 0.511 4.669 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.233 -1.483 3.647 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.328 -0.105 3.680 1.00 0.00 C ATOM 0 H PHE A 114 -7.349 -0.951 7.048 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.782 -3.251 5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.292 -1.922 7.598 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.743 -3.383 6.801 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.282 0.239 6.399 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.800 -3.317 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.140 1.588 4.695 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.656 -1.967 2.873 1.00 0.00 H new ATOM 0 HZ PHE A 114 -2.825 0.489 2.931 1.00 0.00 H new ATOM 1396 N SER A 115 -8.557 -3.705 7.644 1.00 0.00 N ATOM 1397 CA SER A 115 -9.189 -4.564 8.630 1.00 0.00 C ATOM 1398 C SER A 115 -9.802 -5.787 7.954 1.00 0.00 C ATOM 1399 O SER A 115 -10.628 -6.490 8.538 1.00 0.00 O ATOM 1400 CB SER A 115 -10.260 -3.772 9.370 1.00 0.00 C ATOM 1401 OG SER A 115 -9.762 -2.497 9.735 1.00 0.00 O ATOM 0 H SER A 115 -9.177 -3.003 7.240 1.00 0.00 H new ATOM 0 HA SER A 115 -8.440 -4.911 9.342 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.141 -3.659 8.738 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.575 -4.316 10.261 1.00 0.00 H new ATOM 0 HG SER A 115 -9.038 -2.603 10.387 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.390 -6.026 6.717 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.913 -7.128 5.928 1.00 0.00 C ATOM 1409 C ASN A 116 -8.950 -7.437 4.789 1.00 0.00 C ATOM 1410 O ASN A 116 -9.136 -6.981 3.667 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.294 -6.758 5.371 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.034 -7.932 4.747 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.435 -8.869 4.219 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -13.353 -7.878 4.794 1.00 0.00 N ATOM 0 H ASN A 116 -8.688 -5.464 6.236 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.015 -8.012 6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.901 -6.343 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.177 -5.974 4.623 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.909 -8.629 4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.815 -7.086 5.240 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.899 -8.184 5.089 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.914 -8.540 4.076 1.00 0.00 C ATOM 1423 C CYS A 117 -6.575 -10.023 4.165 1.00 0.00 C ATOM 1424 O CYS A 117 -6.592 -10.608 5.252 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.640 -7.704 4.241 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.932 -5.913 4.451 1.00 0.00 S ATOM 0 H CYS A 117 -7.705 -8.554 6.019 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.344 -8.331 3.096 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.088 -8.073 5.105 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.005 -7.856 3.368 1.00 0.00 H new ATOM 1431 N SER A 118 -6.259 -10.623 3.025 1.00 0.00 N ATOM 1432 CA SER A 118 -5.973 -12.048 2.957 1.00 0.00 C ATOM 1433 C SER A 118 -4.761 -12.318 2.067 1.00 0.00 C ATOM 1434 O SER A 118 -4.350 -11.462 1.281 1.00 0.00 O ATOM 1435 CB SER A 118 -7.198 -12.787 2.414 1.00 0.00 C ATOM 1436 OG SER A 118 -8.330 -12.572 3.243 1.00 0.00 O ATOM 0 H SER A 118 -6.194 -10.140 2.129 1.00 0.00 H new ATOM 0 HA SER A 118 -5.744 -12.408 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.414 -12.446 1.402 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.986 -13.854 2.352 1.00 0.00 H new ATOM 0 HG SER A 118 -9.101 -13.053 2.875 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.187 -13.510 2.210 1.00 0.00 N ATOM 1443 CA HIS A 119 -3.061 -13.934 1.382 1.00 0.00 C ATOM 1444 C HIS A 119 -3.532 -14.131 -0.052 1.00 0.00 C ATOM 1445 O HIS A 119 -4.529 -14.813 -0.291 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.452 -15.233 1.935 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.249 -15.725 1.178 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.147 -16.582 0.131 1.00 0.00 N flip ATOM 1449 CD2 HIS A 119 0.041 -15.351 1.490 1.00 0.00 C flip ATOM 1450 CE1 HIS A 119 0.189 -16.708 -0.160 1.00 0.00 C flip ATOM 1451 NE2 HIS A 119 0.884 -15.955 0.673 1.00 0.00 N flip ATOM 0 H HIS A 119 -4.486 -14.203 2.896 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.290 -13.164 1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.171 -15.074 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -3.215 -16.011 1.926 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -1.918 -17.046 -0.350 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.319 -14.669 2.280 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.605 -17.324 -0.944 1.00 0.00 H new ATOM 1459 N SER A 120 -2.814 -13.532 -0.992 1.00 0.00 N ATOM 1460 CA SER A 120 -3.209 -13.550 -2.392 1.00 0.00 C ATOM 1461 C SER A 120 -3.248 -14.971 -2.950 1.00 0.00 C ATOM 1462 O SER A 120 -2.246 -15.686 -2.935 1.00 0.00 O ATOM 1463 CB SER A 120 -2.253 -12.691 -3.221 1.00 0.00 C ATOM 1464 OG SER A 120 -2.636 -12.674 -4.587 1.00 0.00 O ATOM 0 H SER A 120 -1.949 -13.024 -0.807 1.00 0.00 H new ATOM 0 HA SER A 120 -4.216 -13.138 -2.455 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.242 -11.673 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.238 -13.079 -3.129 1.00 0.00 H new ATOM 0 HG SER A 120 -2.385 -11.815 -4.986 1.00 0.00 H new ATOM 1470 N ARG A 121 -4.416 -15.372 -3.430 1.00 0.00 N ATOM 1471 CA ARG A 121 -4.567 -16.653 -4.108 1.00 0.00 C ATOM 1472 C ARG A 121 -4.186 -16.496 -5.582 1.00 0.00 C ATOM 1473 O ARG A 121 -4.163 -17.459 -6.349 1.00 0.00 O ATOM 1474 CB ARG A 121 -6.007 -17.162 -3.954 1.00 0.00 C ATOM 1475 CG ARG A 121 -6.268 -18.549 -4.541 1.00 0.00 C ATOM 1476 CD ARG A 121 -5.318 -19.612 -3.995 1.00 0.00 C ATOM 1477 NE ARG A 121 -4.009 -19.560 -4.645 1.00 0.00 N ATOM 1478 CZ ARG A 121 -2.947 -20.235 -4.227 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.034 -21.026 -3.166 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -1.792 -20.124 -4.866 1.00 0.00 N ATOM 0 H ARG A 121 -5.276 -14.828 -3.363 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.903 -17.390 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.259 -17.179 -2.894 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -6.681 -16.450 -4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -7.296 -18.842 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -6.170 -18.504 -5.626 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -5.196 -19.472 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.756 -20.599 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 121 -3.907 -18.969 -5.470 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.920 -21.117 -2.669 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.215 -21.544 -2.847 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.717 -19.518 -5.683 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.977 -20.645 -4.541 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.861 -15.273 -5.963 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.448 -14.980 -7.325 1.00 0.00 C ATOM 1495 C ASN A 122 -1.924 -14.942 -7.395 1.00 0.00 C ATOM 1496 O ASN A 122 -1.290 -14.056 -6.816 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.044 -13.643 -7.782 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.820 -13.376 -9.256 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -2.818 -12.777 -9.646 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.760 -13.806 -10.083 1.00 0.00 N ATOM 0 H ASN A 122 -3.875 -14.462 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.814 -15.761 -7.992 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.114 -13.637 -7.575 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.602 -12.835 -7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -4.669 -13.645 -11.086 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -5.575 -14.299 -9.717 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.338 -15.902 -8.106 1.00 0.00 N ATOM 1508 CA ASP A 123 0.118 -16.079 -8.121 1.00 0.00 C ATOM 1509 C ASP A 123 0.791 -15.179 -9.152 1.00 0.00 C ATOM 1510 O ASP A 123 1.822 -15.525 -9.729 1.00 0.00 O ATOM 1511 CB ASP A 123 0.481 -17.542 -8.387 1.00 0.00 C ATOM 1512 CG ASP A 123 0.055 -18.465 -7.263 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -1.112 -18.920 -7.265 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.890 -18.759 -6.382 1.00 0.00 O ATOM 0 H ASP A 123 -1.847 -16.572 -8.682 1.00 0.00 H new ATOM 0 HA ASP A 123 0.487 -15.792 -7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.010 -17.866 -9.315 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.558 -17.624 -8.530 1.00 0.00 H new ATOM 1519 N MET A 124 0.193 -14.026 -9.377 1.00 0.00 N ATOM 1520 CA MET A 124 0.766 -12.995 -10.221 1.00 0.00 C ATOM 1521 C MET A 124 0.252 -11.648 -9.740 1.00 0.00 C ATOM 1522 O MET A 124 -0.198 -10.803 -10.519 1.00 0.00 O ATOM 1523 CB MET A 124 0.426 -13.226 -11.700 1.00 0.00 C ATOM 1524 CG MET A 124 -1.057 -13.390 -11.983 1.00 0.00 C ATOM 1525 SD MET A 124 -1.418 -13.542 -13.739 1.00 0.00 S ATOM 1526 CE MET A 124 -0.431 -14.975 -14.168 1.00 0.00 C ATOM 0 H MET A 124 -0.711 -13.776 -8.976 1.00 0.00 H new ATOM 0 HA MET A 124 1.853 -13.023 -10.147 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.804 -12.386 -12.283 1.00 0.00 H new ATOM 0 HB3 MET A 124 0.951 -14.117 -12.046 1.00 0.00 H new ATOM 0 HG2 MET A 124 -1.426 -14.274 -11.463 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.596 -12.534 -11.578 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.792 -15.398 -15.105 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.612 -14.678 -14.282 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.511 -15.722 -13.378 1.00 0.00 H new ATOM 1536 N CYS A 125 0.319 -11.473 -8.430 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.256 -10.312 -7.773 1.00 0.00 C ATOM 1538 C CYS A 125 0.533 -9.051 -8.109 1.00 0.00 C ATOM 1539 O CYS A 125 1.759 -9.024 -8.004 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.291 -10.528 -6.257 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.648 -9.649 -5.425 1.00 0.00 S ATOM 0 H CYS A 125 0.772 -12.130 -7.795 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.276 -10.182 -8.136 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.382 -11.595 -6.053 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.657 -10.201 -5.830 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.178 -8.014 -8.528 1.00 0.00 N ATOM 1547 CA HIS A 126 0.454 -6.752 -8.886 1.00 0.00 C ATOM 1548 C HIS A 126 0.799 -5.974 -7.622 1.00 0.00 C ATOM 1549 O HIS A 126 -0.088 -5.637 -6.838 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.468 -5.916 -9.786 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.783 -6.562 -11.102 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -0.348 -6.066 -12.312 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -1.503 -7.671 -11.394 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.784 -6.840 -13.287 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -1.487 -7.823 -12.757 1.00 0.00 N ATOM 0 H HIS A 126 -1.193 -8.022 -8.628 1.00 0.00 H new ATOM 0 HA HIS A 126 1.368 -6.965 -9.440 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.400 -5.723 -9.255 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -0.000 -4.949 -9.970 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.999 -8.317 -10.684 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.597 -6.694 -14.341 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.944 -8.573 -13.276 1.00 0.00 H new ATOM 1563 N SER A 127 2.082 -5.713 -7.423 1.00 0.00 N ATOM 1564 CA SER A 127 2.553 -5.014 -6.238 1.00 0.00 C ATOM 1565 C SER A 127 2.109 -3.549 -6.242 1.00 0.00 C ATOM 1566 O SER A 127 2.204 -2.868 -7.262 1.00 0.00 O ATOM 1567 CB SER A 127 4.077 -5.126 -6.169 1.00 0.00 C ATOM 1568 OG SER A 127 4.637 -5.181 -7.474 1.00 0.00 O ATOM 0 H SER A 127 2.821 -5.978 -8.074 1.00 0.00 H new ATOM 0 HA SER A 127 2.115 -5.476 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.485 -4.272 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.356 -6.019 -5.610 1.00 0.00 H new ATOM 0 HG SER A 127 5.011 -4.305 -7.707 1.00 0.00 H new ATOM 1574 N LEU A 128 1.617 -3.080 -5.100 1.00 0.00 N ATOM 1575 CA LEU A 128 1.117 -1.716 -4.980 1.00 0.00 C ATOM 1576 C LEU A 128 2.177 -0.813 -4.358 1.00 0.00 C ATOM 1577 O LEU A 128 2.961 -1.251 -3.512 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.174 -1.708 -4.146 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.904 -0.364 -4.036 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.403 -0.590 -3.949 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.431 0.405 -2.813 1.00 0.00 C ATOM 0 H LEU A 128 1.554 -3.627 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 128 0.890 -1.329 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.862 -2.437 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.067 -2.050 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.678 0.222 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.912 0.371 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.745 -1.110 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.630 -1.193 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.961 1.356 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.632 -0.180 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.640 0.591 -2.892 1.00 0.00 H new ATOM 1593 N GLY A 129 2.196 0.443 -4.782 1.00 0.00 N ATOM 1594 CA GLY A 129 3.150 1.391 -4.253 1.00 0.00 C ATOM 1595 C GLY A 129 2.595 2.795 -4.197 1.00 0.00 C ATOM 1596 O GLY A 129 1.553 3.089 -4.787 1.00 0.00 O ATOM 0 H GLY A 129 1.563 0.822 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.449 1.081 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.048 1.382 -4.871 1.00 0.00 H new ATOM 1600 N LEU A 130 3.308 3.665 -3.506 1.00 0.00 N ATOM 1601 CA LEU A 130 2.877 5.035 -3.312 1.00 0.00 C ATOM 1602 C LEU A 130 4.028 5.995 -3.595 1.00 0.00 C ATOM 1603 O LEU A 130 5.164 5.755 -3.180 1.00 0.00 O ATOM 1604 CB LEU A 130 2.373 5.210 -1.873 1.00 0.00 C ATOM 1605 CG LEU A 130 2.010 6.639 -1.452 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.873 7.192 -2.296 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.638 6.669 0.022 1.00 0.00 C ATOM 0 H LEU A 130 4.200 3.442 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 130 2.066 5.261 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.494 4.580 -1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.140 4.837 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 130 2.883 7.272 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.640 8.206 -1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.171 7.205 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.008 6.562 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.382 7.688 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.782 6.016 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.483 6.324 0.618 1.00 0.00 H new ATOM 1619 N THR A 131 3.741 7.054 -4.332 1.00 0.00 N ATOM 1620 CA THR A 131 4.716 8.101 -4.574 1.00 0.00 C ATOM 1621 C THR A 131 4.284 9.387 -3.882 1.00 0.00 C ATOM 1622 O THR A 131 3.269 9.985 -4.248 1.00 0.00 O ATOM 1623 CB THR A 131 4.893 8.367 -6.081 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.316 7.168 -6.739 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.907 9.474 -6.332 1.00 0.00 C ATOM 0 H THR A 131 2.836 7.211 -4.775 1.00 0.00 H new ATOM 0 HA THR A 131 5.671 7.765 -4.169 1.00 0.00 H new ATOM 0 HB THR A 131 3.932 8.688 -6.482 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.426 7.342 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.009 9.638 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.567 10.394 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.872 9.185 -5.916 1.00 0.00 H new ATOM 1633 N CYS A 132 5.034 9.789 -2.874 1.00 0.00 N ATOM 1634 CA CYS A 132 4.765 11.038 -2.179 1.00 0.00 C ATOM 1635 C CYS A 132 5.771 12.084 -2.637 1.00 0.00 C ATOM 1636 O CYS A 132 6.865 11.734 -3.078 1.00 0.00 O ATOM 1637 CB CYS A 132 4.852 10.831 -0.665 1.00 0.00 C ATOM 1638 SG CYS A 132 3.829 9.453 -0.052 1.00 0.00 S ATOM 0 H CYS A 132 5.836 9.270 -2.516 1.00 0.00 H new ATOM 0 HA CYS A 132 3.757 11.380 -2.414 1.00 0.00 H new ATOM 0 HB2 CYS A 132 5.891 10.649 -0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.546 11.749 -0.164 1.00 0.00 H new ATOM 1643 N LEU A 133 5.390 13.357 -2.572 1.00 0.00 N ATOM 1644 CA LEU A 133 6.281 14.432 -2.988 1.00 0.00 C ATOM 1645 C LEU A 133 7.542 14.443 -2.135 1.00 0.00 C ATOM 1646 O LEU A 133 7.527 14.891 -0.985 1.00 0.00 O ATOM 1647 CB LEU A 133 5.579 15.790 -2.904 1.00 0.00 C ATOM 1648 CG LEU A 133 4.427 15.994 -3.893 1.00 0.00 C ATOM 1649 CD1 LEU A 133 3.855 17.396 -3.770 1.00 0.00 C ATOM 1650 CD2 LEU A 133 4.890 15.739 -5.319 1.00 0.00 C ATOM 0 H LEU A 133 4.477 13.666 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 133 6.560 14.252 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.195 15.920 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.319 16.574 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 133 3.643 15.277 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.038 17.519 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.481 17.549 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.635 18.127 -3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.056 15.889 -6.005 1.00 0.00 H new ATOM 0 HD22 LEU A 133 5.695 16.430 -5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 133 5.251 14.714 -5.407 1.00 0.00 H new ATOM 1662 N GLU A 134 8.615 13.915 -2.702 1.00 0.00 N ATOM 1663 CA GLU A 134 9.904 13.869 -2.037 1.00 0.00 C ATOM 1664 C GLU A 134 10.767 15.028 -2.521 1.00 0.00 C ATOM 1665 O GLU A 134 11.440 14.883 -3.565 1.00 0.00 O ATOM 1666 CB GLU A 134 10.597 12.529 -2.320 1.00 0.00 C ATOM 1667 CG GLU A 134 11.935 12.362 -1.618 1.00 0.00 C ATOM 1668 CD GLU A 134 12.650 11.088 -2.020 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.345 11.094 -3.057 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.531 10.076 -1.298 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.746 16.094 -1.875 1.00 0.00 O ATOM 0 H GLU A 134 8.615 13.507 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 134 9.759 13.960 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.935 11.718 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.748 12.430 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.570 13.218 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.777 12.361 -0.539 1.00 0.00 H new