USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 983 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 115 GLN : amide:sc= -7.67! C(o=-6.3!,f=-19!) USER MOD Set 1.3: A 117 TYR OH : rot 43:sc= 1.34 USER MOD Set 2.1: A 50 LYS NZ :NH3+ -144:sc= 1.21 (180deg=-0.646) USER MOD Set 2.2: A 52 SER OG : rot -84:sc= 2.2 USER MOD Set 2.3: A 57 ASN :FLIP amide:sc= 1.01 F(o=0.81,f=4.4) USER MOD Set 3.1: A 42 GLN :FLIP amide:sc= -0.318 F(o=-2.4,f=-0.99) USER MOD Set 3.2: A 84 MET CE :methyl -172:sc= -0.672 (180deg=-1.01) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -74:sc= -9.66! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.635 X(o=-0.64,f=-0.21) USER MOD Single : A 13 ASN : amide:sc= -4.27! C(o=-4.3!,f=-4.6!) USER MOD Single : A 16 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00583) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -143:sc= -0.511 (180deg=-2.66!) USER MOD Single : A 24 ASN : amide:sc= -0.249 K(o=-0.25,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -2.12 (180deg=-2.86!) USER MOD Single : A 39 THR OG1 : rot 51:sc= -5.25! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.095) USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0.002 (180deg=-0.00849) USER MOD Single : A 48 THR OG1 : rot 93:sc= 0.0421 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0485 K(o=-0.049,f=-2!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -85:sc= -0.31 USER MOD Single : A 76 THR OG1 : rot -20:sc= 0.1 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 170:sc= -2.98! USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN :FLIP amide:sc= -0.236 F(o=-0.89,f=-0.24) USER MOD Single : A 88 LYS NZ :NH3+ 147:sc= -0.864! (180deg=-2.14) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.000494) USER MOD Single : A 94 LYS NZ :NH3+ -116:sc=-0.00506 (180deg=-0.0794) USER MOD Single : A 98 ASN : amide:sc= -1.11! C(o=-1.1!,f=-1.4!) USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= -0.316 (180deg=-0.831) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 116 THR OG1 : rot 60:sc= 1.04 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 134:sc= -2.45 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.701 7.178 3.572 1.00 0.00 N ATOM 2 CA ALA A 1 3.796 8.605 3.447 1.00 0.00 C ATOM 3 C ALA A 1 5.286 8.906 3.161 1.00 0.00 C ATOM 4 O ALA A 1 5.478 9.286 2.032 1.00 0.00 O ATOM 5 CB ALA A 1 3.393 9.113 4.814 1.00 0.00 C ATOM 0 H1 ALA A 1 2.715 6.911 3.766 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.012 6.730 2.686 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.307 6.857 4.354 1.00 0.00 H new ATOM 0 HA ALA A 1 3.184 9.055 2.665 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.433 10.202 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.378 8.785 5.039 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.077 8.718 5.565 1.00 0.00 H new ATOM 13 N PHE A 2 6.202 8.730 4.134 1.00 0.00 N ATOM 14 CA PHE A 2 7.633 9.009 3.899 1.00 0.00 C ATOM 15 C PHE A 2 8.106 8.563 2.490 1.00 0.00 C ATOM 16 O PHE A 2 8.401 7.411 2.238 1.00 0.00 O ATOM 17 CB PHE A 2 8.664 8.454 4.919 1.00 0.00 C ATOM 18 CG PHE A 2 8.074 7.642 6.043 1.00 0.00 C ATOM 19 CD1 PHE A 2 7.209 6.592 5.890 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.440 7.976 7.356 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.733 5.913 6.992 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.963 7.299 8.466 1.00 0.00 C ATOM 23 CZ PHE A 2 7.091 6.243 8.297 1.00 0.00 C ATOM 0 H PHE A 2 5.982 8.402 5.074 1.00 0.00 H new ATOM 0 HA PHE A 2 7.633 10.092 4.019 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.385 7.836 4.384 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.216 9.291 5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.897 6.293 4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 2 9.124 8.798 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.053 5.089 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.272 7.596 9.458 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.702 5.695 9.142 1.00 0.00 H new ATOM 33 N ASP A 3 8.176 9.525 1.545 1.00 0.00 N ATOM 34 CA ASP A 3 8.595 9.330 0.153 1.00 0.00 C ATOM 35 C ASP A 3 9.177 10.590 -0.435 1.00 0.00 C ATOM 36 O ASP A 3 8.662 11.654 -0.103 1.00 0.00 O ATOM 37 CB ASP A 3 7.418 8.831 -0.713 1.00 0.00 C ATOM 38 CG ASP A 3 7.954 8.053 -1.884 1.00 0.00 C ATOM 39 OD1 ASP A 3 9.083 8.272 -2.335 1.00 0.00 O ATOM 40 OD2 ASP A 3 7.125 7.164 -2.347 1.00 0.00 O ATOM 0 H ASP A 3 7.931 10.495 1.746 1.00 0.00 H new ATOM 0 HA ASP A 3 9.375 8.569 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 3 6.755 8.203 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.826 9.676 -1.064 1.00 0.00 H new ATOM 45 N GLY A 4 10.214 10.459 -1.274 1.00 0.00 N ATOM 46 CA GLY A 4 10.807 11.615 -1.862 1.00 0.00 C ATOM 47 C GLY A 4 12.223 12.043 -1.422 1.00 0.00 C ATOM 48 O GLY A 4 13.140 11.533 -2.016 1.00 0.00 O ATOM 0 H GLY A 4 10.637 9.570 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.832 11.458 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.138 12.456 -1.678 1.00 0.00 H new ATOM 52 N THR A 5 12.183 12.934 -0.471 1.00 0.00 N ATOM 53 CA THR A 5 13.250 13.649 0.138 1.00 0.00 C ATOM 54 C THR A 5 12.768 14.115 1.483 1.00 0.00 C ATOM 55 O THR A 5 11.570 14.127 1.672 1.00 0.00 O ATOM 56 CB THR A 5 13.816 14.829 -0.700 1.00 0.00 C ATOM 57 OG1 THR A 5 12.686 15.662 -0.716 1.00 0.00 O ATOM 58 CG2 THR A 5 14.189 14.429 -2.112 1.00 0.00 C ATOM 0 H THR A 5 11.288 13.202 -0.061 1.00 0.00 H new ATOM 0 HA THR A 5 14.098 12.970 0.225 1.00 0.00 H new ATOM 0 HB THR A 5 14.734 15.257 -0.297 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.015 15.292 -1.327 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.578 15.297 -2.645 1.00 0.00 H new ATOM 0 HG22 THR A 5 14.952 13.651 -2.080 1.00 0.00 H new ATOM 0 HG23 THR A 5 13.307 14.051 -2.628 1.00 0.00 H new ATOM 66 N TRP A 6 13.775 14.422 2.242 1.00 0.00 N ATOM 67 CA TRP A 6 13.679 14.799 3.613 1.00 0.00 C ATOM 68 C TRP A 6 15.079 15.188 4.077 1.00 0.00 C ATOM 69 O TRP A 6 15.967 14.816 3.344 1.00 0.00 O ATOM 70 CB TRP A 6 13.541 13.373 4.246 1.00 0.00 C ATOM 71 CG TRP A 6 12.162 12.869 4.079 1.00 0.00 C ATOM 72 CD1 TRP A 6 11.836 11.597 3.716 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.868 13.446 4.176 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.507 11.347 3.581 1.00 0.00 N ATOM 75 CE2 TRP A 6 9.861 12.495 3.857 1.00 0.00 C ATOM 76 CE3 TRP A 6 10.390 14.725 4.498 1.00 0.00 C ATOM 77 CZ2 TRP A 6 8.515 12.745 3.841 1.00 0.00 C ATOM 78 CZ3 TRP A 6 9.048 14.973 4.485 1.00 0.00 C ATOM 79 CH2 TRP A 6 8.120 13.998 4.161 1.00 0.00 C ATOM 0 H TRP A 6 14.736 14.415 1.900 1.00 0.00 H new ATOM 0 HA TRP A 6 12.932 15.565 3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 6 14.245 12.688 3.774 1.00 0.00 H new ATOM 0 HB3 TRP A 6 13.796 13.412 5.305 1.00 0.00 H new ATOM 0 HD1 TRP A 6 12.585 10.837 3.547 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.080 10.458 3.320 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.083 15.512 4.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 7.801 11.976 3.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 8.698 15.963 4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 6 7.068 14.241 4.164 1.00 0.00 H new ATOM 90 N LYS A 7 15.153 15.797 5.234 1.00 0.00 N ATOM 91 CA LYS A 7 16.495 16.283 5.639 1.00 0.00 C ATOM 92 C LYS A 7 16.491 16.487 7.119 1.00 0.00 C ATOM 93 O LYS A 7 15.972 15.648 7.861 1.00 0.00 O ATOM 94 CB LYS A 7 16.650 17.602 4.850 1.00 0.00 C ATOM 95 CG LYS A 7 16.115 17.589 3.441 1.00 0.00 C ATOM 96 CD LYS A 7 16.541 18.625 2.414 1.00 0.00 C ATOM 97 CE LYS A 7 17.933 18.303 1.809 1.00 0.00 C ATOM 98 NZ LYS A 7 18.945 19.361 2.069 1.00 0.00 N ATOM 0 H LYS A 7 14.384 15.970 5.882 1.00 0.00 H new ATOM 0 HA LYS A 7 17.321 15.604 5.427 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.147 18.395 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.708 17.860 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.355 16.612 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.029 17.646 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.800 18.671 1.616 1.00 0.00 H new ATOM 0 HD3 LYS A 7 16.567 19.610 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.291 17.359 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.831 18.164 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 19.852 19.087 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.623 20.259 1.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.069 19.478 3.095 1.00 0.00 H new ATOM 112 N VAL A 8 17.069 17.602 7.510 1.00 0.00 N ATOM 113 CA VAL A 8 17.089 18.050 8.867 1.00 0.00 C ATOM 114 C VAL A 8 17.171 19.587 8.857 1.00 0.00 C ATOM 115 O VAL A 8 18.185 20.162 9.178 1.00 0.00 O ATOM 116 CB VAL A 8 18.087 17.356 9.781 1.00 0.00 C ATOM 117 CG1 VAL A 8 18.241 18.152 11.086 1.00 0.00 C ATOM 118 CG2 VAL A 8 17.707 15.871 10.011 1.00 0.00 C ATOM 0 H VAL A 8 17.549 18.232 6.867 1.00 0.00 H new ATOM 0 HA VAL A 8 16.157 17.744 9.343 1.00 0.00 H new ATOM 0 HB VAL A 8 19.064 17.336 9.297 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.957 17.650 11.736 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.599 19.156 10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.276 18.216 11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.441 15.405 10.668 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.720 15.815 10.471 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.692 15.347 9.055 1.00 0.00 H new ATOM 128 N ASP A 9 16.053 20.144 8.441 1.00 0.00 N ATOM 129 CA ASP A 9 15.941 21.583 8.318 1.00 0.00 C ATOM 130 C ASP A 9 16.367 22.236 9.624 1.00 0.00 C ATOM 131 O ASP A 9 17.088 23.216 9.676 1.00 0.00 O ATOM 132 CB ASP A 9 14.427 21.844 8.195 1.00 0.00 C ATOM 133 CG ASP A 9 13.968 23.155 7.670 1.00 0.00 C ATOM 134 OD1 ASP A 9 14.392 24.216 8.080 1.00 0.00 O ATOM 135 OD2 ASP A 9 13.065 23.107 6.721 1.00 0.00 O ATOM 0 H ASP A 9 15.213 19.626 8.183 1.00 0.00 H new ATOM 0 HA ASP A 9 16.540 21.961 7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.009 21.067 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.988 21.712 9.184 1.00 0.00 H new ATOM 140 N ARG A 10 15.846 21.610 10.681 1.00 0.00 N ATOM 141 CA ARG A 10 16.157 22.123 11.959 1.00 0.00 C ATOM 142 C ARG A 10 16.578 20.934 12.814 1.00 0.00 C ATOM 143 O ARG A 10 16.176 19.811 12.446 1.00 0.00 O ATOM 144 CB ARG A 10 14.925 22.826 12.486 1.00 0.00 C ATOM 145 CG ARG A 10 13.587 22.413 11.870 1.00 0.00 C ATOM 146 CD ARG A 10 13.015 23.538 10.988 1.00 0.00 C ATOM 147 NE ARG A 10 11.559 23.597 11.107 1.00 0.00 N ATOM 148 CZ ARG A 10 10.666 22.725 10.625 1.00 0.00 C ATOM 149 NH1 ARG A 10 11.098 21.672 9.958 1.00 0.00 N ATOM 150 NH2 ARG A 10 9.386 22.933 10.824 1.00 0.00 N ATOM 0 H ARG A 10 15.240 20.790 10.656 1.00 0.00 H new ATOM 0 HA ARG A 10 16.969 22.850 11.955 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.871 22.659 13.562 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.053 23.898 12.336 1.00 0.00 H new ATOM 0 HG2 ARG A 10 13.720 21.511 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.878 22.170 12.661 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.448 24.494 11.283 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.293 23.369 9.948 1.00 0.00 H new ATOM 0 HE ARG A 10 11.180 24.395 11.616 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.099 21.533 9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.431 20.997 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 10 9.078 23.755 11.343 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.699 22.273 10.460 1.00 0.00 H new ATOM 164 N ASN A 11 17.325 21.185 13.851 1.00 0.00 N ATOM 165 CA ASN A 11 17.766 20.106 14.706 1.00 0.00 C ATOM 166 C ASN A 11 17.707 20.452 16.173 1.00 0.00 C ATOM 167 O ASN A 11 18.157 21.550 16.530 1.00 0.00 O ATOM 168 CB ASN A 11 19.248 19.800 14.418 1.00 0.00 C ATOM 169 CG ASN A 11 20.253 20.913 14.653 1.00 0.00 C ATOM 170 OD1 ASN A 11 21.087 20.835 15.556 1.00 0.00 O ATOM 171 ND2 ASN A 11 20.164 21.936 13.837 1.00 0.00 N ATOM 0 H ASN A 11 17.642 22.114 14.128 1.00 0.00 H new ATOM 0 HA ASN A 11 17.100 19.269 14.497 1.00 0.00 H new ATOM 0 HB2 ASN A 11 19.541 18.948 15.031 1.00 0.00 H new ATOM 0 HB3 ASN A 11 19.330 19.487 13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 11 20.807 22.722 13.933 1.00 0.00 H new ATOM 0 HD22 ASN A 11 19.452 21.945 13.107 1.00 0.00 H new ATOM 178 N GLU A 12 17.174 19.543 16.946 1.00 0.00 N ATOM 179 CA GLU A 12 17.030 19.736 18.397 1.00 0.00 C ATOM 180 C GLU A 12 18.226 19.163 19.121 1.00 0.00 C ATOM 181 O GLU A 12 19.249 19.845 19.199 1.00 0.00 O ATOM 182 CB GLU A 12 15.654 19.204 18.905 1.00 0.00 C ATOM 183 CG GLU A 12 15.178 19.841 20.229 1.00 0.00 C ATOM 184 CD GLU A 12 15.931 19.456 21.497 1.00 0.00 C ATOM 185 OE1 GLU A 12 15.955 18.185 21.745 1.00 0.00 O ATOM 186 OE2 GLU A 12 16.465 20.281 22.198 1.00 0.00 O ATOM 0 H GLU A 12 16.824 18.647 16.607 1.00 0.00 H new ATOM 0 HA GLU A 12 17.021 20.802 18.625 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.902 19.384 18.137 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.721 18.124 19.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.230 20.924 20.121 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.128 19.585 20.369 1.00 0.00 H new ATOM 193 N ASN A 13 18.136 17.955 19.637 1.00 0.00 N ATOM 194 CA ASN A 13 19.202 17.280 20.353 1.00 0.00 C ATOM 195 C ASN A 13 20.173 16.567 19.445 1.00 0.00 C ATOM 196 O ASN A 13 20.754 15.586 19.854 1.00 0.00 O ATOM 197 CB ASN A 13 18.566 16.251 21.332 1.00 0.00 C ATOM 198 CG ASN A 13 19.116 16.440 22.715 1.00 0.00 C ATOM 199 OD1 ASN A 13 18.389 16.634 23.695 1.00 0.00 O ATOM 200 ND2 ASN A 13 20.439 16.398 22.874 1.00 0.00 N ATOM 0 H ASN A 13 17.287 17.394 19.567 1.00 0.00 H new ATOM 0 HA ASN A 13 19.772 18.042 20.885 1.00 0.00 H new ATOM 0 HB2 ASN A 13 17.483 16.372 21.344 1.00 0.00 H new ATOM 0 HB3 ASN A 13 18.770 15.237 20.988 1.00 0.00 H new ATOM 0 HD21 ASN A 13 20.846 16.526 23.801 1.00 0.00 H new ATOM 0 HD22 ASN A 13 21.045 16.238 22.069 1.00 0.00 H new ATOM 207 N TYR A 14 20.327 17.084 18.213 1.00 0.00 N ATOM 208 CA TYR A 14 21.223 16.512 17.219 1.00 0.00 C ATOM 209 C TYR A 14 22.698 16.729 17.494 1.00 0.00 C ATOM 210 O TYR A 14 23.499 15.817 17.343 1.00 0.00 O ATOM 211 CB TYR A 14 20.692 16.985 15.848 1.00 0.00 C ATOM 212 CG TYR A 14 21.077 16.070 14.766 1.00 0.00 C ATOM 213 CD1 TYR A 14 22.387 15.693 14.499 1.00 0.00 C ATOM 214 CD2 TYR A 14 20.058 15.540 13.951 1.00 0.00 C ATOM 215 CE1 TYR A 14 22.686 14.809 13.448 1.00 0.00 C ATOM 216 CE2 TYR A 14 20.336 14.666 12.909 1.00 0.00 C ATOM 217 CZ TYR A 14 21.652 14.300 12.655 1.00 0.00 C ATOM 218 OH TYR A 14 21.905 13.433 11.622 1.00 0.00 O ATOM 0 H TYR A 14 19.828 17.912 17.888 1.00 0.00 H new ATOM 0 HA TYR A 14 21.206 15.423 17.249 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.606 17.064 15.887 1.00 0.00 H new ATOM 0 HB3 TYR A 14 21.077 17.982 15.634 1.00 0.00 H new ATOM 0 HD1 TYR A 14 23.188 16.085 15.108 1.00 0.00 H new ATOM 0 HD2 TYR A 14 19.033 15.821 14.142 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.709 14.524 13.253 1.00 0.00 H new ATOM 0 HE2 TYR A 14 19.535 14.273 12.300 1.00 0.00 H new ATOM 0 HH TYR A 14 21.062 13.187 11.187 1.00 0.00 H new ATOM 228 N GLU A 15 23.140 17.925 17.907 1.00 0.00 N ATOM 229 CA GLU A 15 24.547 18.155 18.171 1.00 0.00 C ATOM 230 C GLU A 15 25.070 17.315 19.366 1.00 0.00 C ATOM 231 O GLU A 15 26.122 16.716 19.328 1.00 0.00 O ATOM 232 CB GLU A 15 24.948 19.620 18.410 1.00 0.00 C ATOM 233 CG GLU A 15 26.486 19.787 18.341 1.00 0.00 C ATOM 234 CD GLU A 15 26.916 21.157 18.765 1.00 0.00 C ATOM 235 OE1 GLU A 15 26.329 22.166 18.488 1.00 0.00 O ATOM 236 OE2 GLU A 15 28.018 21.059 19.466 1.00 0.00 O ATOM 0 H GLU A 15 22.540 18.736 18.061 1.00 0.00 H new ATOM 0 HA GLU A 15 25.014 17.838 17.239 1.00 0.00 H new ATOM 0 HB2 GLU A 15 24.475 20.258 17.664 1.00 0.00 H new ATOM 0 HB3 GLU A 15 24.585 19.947 19.385 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.961 19.043 18.980 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.827 19.598 17.323 1.00 0.00 H new ATOM 243 N LYS A 16 24.307 17.269 20.454 1.00 0.00 N ATOM 244 CA LYS A 16 24.757 16.482 21.610 1.00 0.00 C ATOM 245 C LYS A 16 24.591 14.995 21.339 1.00 0.00 C ATOM 246 O LYS A 16 25.187 14.112 21.905 1.00 0.00 O ATOM 247 CB LYS A 16 24.131 16.964 22.919 1.00 0.00 C ATOM 248 CG LYS A 16 25.172 16.982 24.033 1.00 0.00 C ATOM 249 CD LYS A 16 24.687 17.878 25.147 1.00 0.00 C ATOM 250 CE LYS A 16 25.736 18.628 25.973 1.00 0.00 C ATOM 251 NZ LYS A 16 26.322 19.688 25.167 1.00 0.00 N ATOM 0 H LYS A 16 23.411 17.743 20.565 1.00 0.00 H new ATOM 0 HA LYS A 16 25.825 16.646 21.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.716 17.963 22.785 1.00 0.00 H new ATOM 0 HB3 LYS A 16 23.304 16.310 23.196 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.339 15.972 24.408 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.127 17.342 23.650 1.00 0.00 H new ATOM 0 HD2 LYS A 16 24.013 18.617 24.713 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.095 17.270 25.831 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.277 19.049 26.868 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.512 17.939 26.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 26.997 20.229 25.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.817 19.272 24.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.571 20.322 24.828 1.00 0.00 H new ATOM 265 N PHE A 17 23.701 14.654 20.381 1.00 0.00 N ATOM 266 CA PHE A 17 23.374 13.292 19.947 1.00 0.00 C ATOM 267 C PHE A 17 24.575 12.531 19.331 1.00 0.00 C ATOM 268 O PHE A 17 24.881 11.351 19.545 1.00 0.00 O ATOM 269 CB PHE A 17 22.177 13.305 18.967 1.00 0.00 C ATOM 270 CG PHE A 17 22.239 12.348 17.809 1.00 0.00 C ATOM 271 CD1 PHE A 17 22.561 10.997 17.981 1.00 0.00 C ATOM 272 CD2 PHE A 17 21.966 12.825 16.542 1.00 0.00 C ATOM 273 CE1 PHE A 17 22.615 10.128 16.907 1.00 0.00 C ATOM 274 CE2 PHE A 17 22.020 11.956 15.481 1.00 0.00 C ATOM 275 CZ PHE A 17 22.338 10.618 15.622 1.00 0.00 C ATOM 0 H PHE A 17 23.170 15.359 19.870 1.00 0.00 H new ATOM 0 HA PHE A 17 23.099 12.745 20.849 1.00 0.00 H new ATOM 0 HB2 PHE A 17 21.271 13.093 19.535 1.00 0.00 H new ATOM 0 HB3 PHE A 17 22.075 14.314 18.569 1.00 0.00 H new ATOM 0 HD1 PHE A 17 22.772 10.626 18.973 1.00 0.00 H new ATOM 0 HD2 PHE A 17 21.714 13.864 16.389 1.00 0.00 H new ATOM 0 HE1 PHE A 17 22.867 9.088 17.055 1.00 0.00 H new ATOM 0 HE2 PHE A 17 21.805 12.334 14.493 1.00 0.00 H new ATOM 0 HZ PHE A 17 22.372 9.965 14.763 1.00 0.00 H new ATOM 285 N MET A 18 25.285 13.299 18.510 1.00 0.00 N ATOM 286 CA MET A 18 26.450 12.828 17.807 1.00 0.00 C ATOM 287 C MET A 18 27.611 12.785 18.776 1.00 0.00 C ATOM 288 O MET A 18 28.340 11.829 18.952 1.00 0.00 O ATOM 289 CB MET A 18 26.820 13.863 16.705 1.00 0.00 C ATOM 290 CG MET A 18 26.314 13.419 15.368 1.00 0.00 C ATOM 291 SD MET A 18 26.885 14.508 14.048 1.00 0.00 S ATOM 292 CE MET A 18 26.451 13.407 12.673 1.00 0.00 C ATOM 0 H MET A 18 25.056 14.275 18.319 1.00 0.00 H new ATOM 0 HA MET A 18 26.250 11.846 17.378 1.00 0.00 H new ATOM 0 HB2 MET A 18 26.395 14.835 16.955 1.00 0.00 H new ATOM 0 HB3 MET A 18 27.902 13.989 16.666 1.00 0.00 H new ATOM 0 HG2 MET A 18 26.649 12.401 15.171 1.00 0.00 H new ATOM 0 HG3 MET A 18 25.224 13.399 15.379 1.00 0.00 H new ATOM 0 HE1 MET A 18 26.719 13.881 11.729 1.00 0.00 H new ATOM 0 HE2 MET A 18 26.994 12.467 12.774 1.00 0.00 H new ATOM 0 HE3 MET A 18 25.379 13.210 12.689 1.00 0.00 H new ATOM 302 N GLU A 19 27.778 13.906 19.437 1.00 0.00 N ATOM 303 CA GLU A 19 28.839 14.142 20.394 1.00 0.00 C ATOM 304 C GLU A 19 29.083 13.011 21.388 1.00 0.00 C ATOM 305 O GLU A 19 30.198 12.572 21.625 1.00 0.00 O ATOM 306 CB GLU A 19 28.432 15.334 21.293 1.00 0.00 C ATOM 307 CG GLU A 19 29.601 16.252 21.692 1.00 0.00 C ATOM 308 CD GLU A 19 29.931 17.241 20.617 1.00 0.00 C ATOM 309 OE1 GLU A 19 29.172 18.145 20.385 1.00 0.00 O ATOM 310 OE2 GLU A 19 31.057 17.021 20.020 1.00 0.00 O ATOM 0 H GLU A 19 27.159 14.708 19.321 1.00 0.00 H new ATOM 0 HA GLU A 19 29.731 14.285 19.784 1.00 0.00 H new ATOM 0 HB2 GLU A 19 27.680 15.927 20.772 1.00 0.00 H new ATOM 0 HB3 GLU A 19 27.963 14.948 22.198 1.00 0.00 H new ATOM 0 HG2 GLU A 19 29.347 16.784 22.609 1.00 0.00 H new ATOM 0 HG3 GLU A 19 30.480 15.646 21.909 1.00 0.00 H new ATOM 317 N LYS A 20 27.956 12.594 21.981 1.00 0.00 N ATOM 318 CA LYS A 20 27.993 11.558 23.033 1.00 0.00 C ATOM 319 C LYS A 20 28.509 10.210 22.600 1.00 0.00 C ATOM 320 O LYS A 20 29.114 9.501 23.423 1.00 0.00 O ATOM 321 CB LYS A 20 26.663 11.562 23.787 1.00 0.00 C ATOM 322 CG LYS A 20 26.463 12.924 24.430 1.00 0.00 C ATOM 323 CD LYS A 20 25.039 13.046 24.845 1.00 0.00 C ATOM 324 CE LYS A 20 24.799 12.447 26.203 1.00 0.00 C ATOM 325 NZ LYS A 20 23.849 13.311 26.885 1.00 0.00 N ATOM 0 H LYS A 20 27.025 12.946 21.760 1.00 0.00 H new ATOM 0 HA LYS A 20 28.772 11.826 23.747 1.00 0.00 H new ATOM 0 HB2 LYS A 20 25.842 11.344 23.104 1.00 0.00 H new ATOM 0 HB3 LYS A 20 26.660 10.782 24.548 1.00 0.00 H new ATOM 0 HG2 LYS A 20 27.120 13.036 25.293 1.00 0.00 H new ATOM 0 HG3 LYS A 20 26.722 13.716 23.728 1.00 0.00 H new ATOM 0 HD2 LYS A 20 24.753 14.098 24.856 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.403 12.550 24.112 1.00 0.00 H new ATOM 0 HE2 LYS A 20 24.405 11.435 26.114 1.00 0.00 H new ATOM 0 HE3 LYS A 20 25.731 12.378 26.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 23.654 12.932 27.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 24.249 14.267 26.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 22.964 13.353 26.340 1.00 0.00 H new ATOM 339 N MET A 21 28.327 9.832 21.338 1.00 0.00 N ATOM 340 CA MET A 21 28.857 8.577 20.836 1.00 0.00 C ATOM 341 C MET A 21 30.408 8.656 20.850 1.00 0.00 C ATOM 342 O MET A 21 31.100 7.666 20.988 1.00 0.00 O ATOM 343 CB MET A 21 28.465 8.360 19.384 1.00 0.00 C ATOM 344 CG MET A 21 26.949 8.322 19.171 1.00 0.00 C ATOM 345 SD MET A 21 26.463 6.637 18.879 1.00 0.00 S ATOM 346 CE MET A 21 27.104 6.517 17.197 1.00 0.00 C ATOM 0 H MET A 21 27.815 10.380 20.647 1.00 0.00 H new ATOM 0 HA MET A 21 28.466 7.774 21.461 1.00 0.00 H new ATOM 0 HB2 MET A 21 28.892 9.157 18.776 1.00 0.00 H new ATOM 0 HB3 MET A 21 28.899 7.424 19.033 1.00 0.00 H new ATOM 0 HG2 MET A 21 26.433 8.719 20.046 1.00 0.00 H new ATOM 0 HG3 MET A 21 26.670 8.949 18.324 1.00 0.00 H new ATOM 0 HE1 MET A 21 26.429 5.911 16.593 1.00 0.00 H new ATOM 0 HE2 MET A 21 27.181 7.515 16.765 1.00 0.00 H new ATOM 0 HE3 MET A 21 28.090 6.052 17.216 1.00 0.00 H new ATOM 356 N GLY A 22 30.831 9.907 20.683 1.00 0.00 N ATOM 357 CA GLY A 22 32.229 10.365 20.628 1.00 0.00 C ATOM 358 C GLY A 22 32.595 11.233 19.408 1.00 0.00 C ATOM 359 O GLY A 22 33.785 11.442 19.193 1.00 0.00 O ATOM 0 H GLY A 22 30.173 10.679 20.575 1.00 0.00 H new ATOM 0 HA2 GLY A 22 32.443 10.933 21.533 1.00 0.00 H new ATOM 0 HA3 GLY A 22 32.880 9.491 20.639 1.00 0.00 H new ATOM 363 N ILE A 23 31.592 11.692 18.688 1.00 0.00 N ATOM 364 CA ILE A 23 31.776 12.531 17.512 1.00 0.00 C ATOM 365 C ILE A 23 32.777 13.618 17.843 1.00 0.00 C ATOM 366 O ILE A 23 33.445 14.153 16.959 1.00 0.00 O ATOM 367 CB ILE A 23 30.426 13.088 17.103 1.00 0.00 C ATOM 368 CG1 ILE A 23 29.587 12.074 16.384 1.00 0.00 C ATOM 369 CG2 ILE A 23 30.564 14.346 16.214 1.00 0.00 C ATOM 370 CD1 ILE A 23 30.171 10.663 16.442 1.00 0.00 C ATOM 0 H ILE A 23 30.615 11.493 18.901 1.00 0.00 H new ATOM 0 HA ILE A 23 32.172 11.964 16.669 1.00 0.00 H new ATOM 0 HB ILE A 23 29.928 13.361 18.033 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.587 12.065 16.818 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.479 12.374 15.342 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.573 14.712 15.944 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.100 15.121 16.761 1.00 0.00 H new ATOM 0 HG23 ILE A 23 31.116 14.093 15.309 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.518 9.976 15.904 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.159 10.659 15.982 1.00 0.00 H new ATOM 0 HD13 ILE A 23 30.253 10.346 17.482 1.00 0.00 H new ATOM 382 N ASN A 24 32.933 13.992 19.129 1.00 0.00 N ATOM 383 CA ASN A 24 33.886 15.018 19.527 1.00 0.00 C ATOM 384 C ASN A 24 33.557 16.374 19.007 1.00 0.00 C ATOM 385 O ASN A 24 32.913 16.593 17.980 1.00 0.00 O ATOM 386 CB ASN A 24 35.387 14.651 19.305 1.00 0.00 C ATOM 387 CG ASN A 24 36.346 15.263 20.299 1.00 0.00 C ATOM 388 OD1 ASN A 24 36.567 16.472 20.258 1.00 0.00 O ATOM 389 ND2 ASN A 24 36.892 14.413 21.172 1.00 0.00 N ATOM 0 H ASN A 24 32.404 13.590 19.903 1.00 0.00 H new ATOM 0 HA ASN A 24 33.764 15.059 20.609 1.00 0.00 H new ATOM 0 HB2 ASN A 24 35.490 13.567 19.343 1.00 0.00 H new ATOM 0 HB3 ASN A 24 35.678 14.964 18.302 1.00 0.00 H new ATOM 0 HD21 ASN A 24 37.548 14.755 21.875 1.00 0.00 H new ATOM 0 HD22 ASN A 24 36.653 13.422 21.136 1.00 0.00 H new ATOM 396 N VAL A 25 34.007 17.381 19.740 1.00 0.00 N ATOM 397 CA VAL A 25 33.786 18.765 19.388 1.00 0.00 C ATOM 398 C VAL A 25 34.369 19.315 18.089 1.00 0.00 C ATOM 399 O VAL A 25 33.893 20.344 17.617 1.00 0.00 O ATOM 400 CB VAL A 25 33.834 19.776 20.537 1.00 0.00 C ATOM 401 CG1 VAL A 25 33.129 19.127 21.718 1.00 0.00 C ATOM 402 CG2 VAL A 25 35.249 20.140 20.913 1.00 0.00 C ATOM 0 H VAL A 25 34.539 17.254 20.601 1.00 0.00 H new ATOM 0 HA VAL A 25 32.735 18.648 19.123 1.00 0.00 H new ATOM 0 HB VAL A 25 33.348 20.704 20.235 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.136 19.811 22.567 1.00 0.00 H new ATOM 0 HG12 VAL A 25 32.099 18.898 21.446 1.00 0.00 H new ATOM 0 HG13 VAL A 25 33.646 18.207 21.989 1.00 0.00 H new ATOM 0 HG21 VAL A 25 35.234 20.859 21.732 1.00 0.00 H new ATOM 0 HG22 VAL A 25 35.784 19.244 21.227 1.00 0.00 H new ATOM 0 HG23 VAL A 25 35.752 20.580 20.052 1.00 0.00 H new ATOM 412 N VAL A 26 35.370 18.699 17.486 1.00 0.00 N ATOM 413 CA VAL A 26 36.004 19.119 16.244 1.00 0.00 C ATOM 414 C VAL A 26 35.008 19.273 15.111 1.00 0.00 C ATOM 415 O VAL A 26 35.200 20.018 14.147 1.00 0.00 O ATOM 416 CB VAL A 26 37.155 18.197 15.919 1.00 0.00 C ATOM 417 CG1 VAL A 26 37.068 17.534 14.550 1.00 0.00 C ATOM 418 CG2 VAL A 26 38.391 19.062 15.850 1.00 0.00 C ATOM 0 H VAL A 26 35.785 17.849 17.867 1.00 0.00 H new ATOM 0 HA VAL A 26 36.417 20.118 16.381 1.00 0.00 H new ATOM 0 HB VAL A 26 37.156 17.416 16.680 1.00 0.00 H new ATOM 0 HG11 VAL A 26 37.935 16.890 14.402 1.00 0.00 H new ATOM 0 HG12 VAL A 26 36.158 16.936 14.492 1.00 0.00 H new ATOM 0 HG13 VAL A 26 37.048 18.300 13.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 39.257 18.442 15.617 1.00 0.00 H new ATOM 0 HG22 VAL A 26 38.265 19.816 15.073 1.00 0.00 H new ATOM 0 HG23 VAL A 26 38.545 19.554 16.811 1.00 0.00 H new ATOM 428 N LYS A 27 33.910 18.521 15.308 1.00 0.00 N ATOM 429 CA LYS A 27 32.785 18.481 14.441 1.00 0.00 C ATOM 430 C LYS A 27 31.908 19.728 14.741 1.00 0.00 C ATOM 431 O LYS A 27 31.191 20.137 13.811 1.00 0.00 O ATOM 432 CB LYS A 27 31.939 17.226 14.600 1.00 0.00 C ATOM 433 CG LYS A 27 32.580 15.975 13.957 1.00 0.00 C ATOM 434 CD LYS A 27 32.239 15.600 12.525 1.00 0.00 C ATOM 435 CE LYS A 27 30.717 15.560 12.266 1.00 0.00 C ATOM 436 NZ LYS A 27 30.311 15.214 10.888 1.00 0.00 N ATOM 0 H LYS A 27 33.807 17.910 16.118 1.00 0.00 H new ATOM 0 HA LYS A 27 33.156 18.474 13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.775 17.038 15.661 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.960 17.396 14.152 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.661 16.100 14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.326 15.121 14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.700 16.317 11.846 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.668 14.624 12.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.270 14.838 12.949 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.299 16.535 12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.273 15.215 10.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.701 15.914 10.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.673 14.269 10.646 1.00 0.00 H new ATOM 595 N LYS A 37 20.080 15.317 3.739 1.00 0.00 N ATOM 596 CA LYS A 37 18.836 14.838 3.167 1.00 0.00 C ATOM 597 C LYS A 37 18.708 13.400 3.590 1.00 0.00 C ATOM 598 O LYS A 37 19.225 12.546 2.842 1.00 0.00 O ATOM 599 CB LYS A 37 18.821 14.990 1.651 1.00 0.00 C ATOM 600 CG LYS A 37 17.412 15.058 1.104 1.00 0.00 C ATOM 601 CD LYS A 37 17.421 14.903 -0.420 1.00 0.00 C ATOM 602 CE LYS A 37 18.746 15.216 -1.059 1.00 0.00 C ATOM 603 NZ LYS A 37 19.289 16.571 -0.942 1.00 0.00 N ATOM 0 HA LYS A 37 17.988 15.423 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.363 15.894 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.346 14.150 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.803 14.273 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.955 16.010 1.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.140 13.881 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.660 15.557 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.483 14.529 -0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.661 14.986 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.321 16.544 -1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.866 17.179 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.066 16.954 -0.001 1.00 0.00 H new ATOM 617 N LEU A 38 18.060 13.068 4.719 1.00 0.00 N ATOM 618 CA LEU A 38 17.871 11.678 5.117 1.00 0.00 C ATOM 619 C LEU A 38 17.326 11.040 3.845 1.00 0.00 C ATOM 620 O LEU A 38 17.745 9.910 3.633 1.00 0.00 O ATOM 621 CB LEU A 38 16.675 11.430 6.053 1.00 0.00 C ATOM 622 CG LEU A 38 16.610 10.178 6.914 1.00 0.00 C ATOM 623 CD1 LEU A 38 16.097 8.994 6.115 1.00 0.00 C ATOM 624 CD2 LEU A 38 17.992 9.869 7.461 1.00 0.00 C ATOM 0 H LEU A 38 17.662 13.748 5.366 1.00 0.00 H new ATOM 0 HA LEU A 38 18.797 11.334 5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 38 16.611 12.285 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 38 15.777 11.442 5.436 1.00 0.00 H new ATOM 0 HG LEU A 38 15.919 10.358 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 38 16.060 8.112 6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 38 15.097 9.213 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 38 16.765 8.805 5.275 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.947 8.972 8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 38 18.683 9.706 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 38 18.340 10.707 8.064 1.00 0.00 H new ATOM 636 N THR A 39 16.519 11.831 3.211 1.00 0.00 N ATOM 637 CA THR A 39 15.751 11.554 1.981 1.00 0.00 C ATOM 638 C THR A 39 15.050 10.240 2.126 1.00 0.00 C ATOM 639 O THR A 39 15.674 9.279 2.545 1.00 0.00 O ATOM 640 CB THR A 39 16.602 11.479 0.668 1.00 0.00 C ATOM 641 OG1 THR A 39 17.698 12.333 0.755 1.00 0.00 O ATOM 642 CG2 THR A 39 15.772 11.770 -0.598 1.00 0.00 C ATOM 0 H THR A 39 16.347 12.778 3.550 1.00 0.00 H new ATOM 0 HA THR A 39 15.070 12.399 1.876 1.00 0.00 H new ATOM 0 HB THR A 39 16.957 10.453 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 39 18.182 12.161 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 39 16.413 11.704 -1.477 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.967 11.040 -0.681 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.348 12.772 -0.533 1.00 0.00 H new ATOM 650 N ILE A 40 13.792 10.045 1.763 1.00 0.00 N ATOM 651 CA ILE A 40 13.179 8.714 1.855 1.00 0.00 C ATOM 652 C ILE A 40 12.364 8.310 0.628 1.00 0.00 C ATOM 653 O ILE A 40 11.541 9.102 0.241 1.00 0.00 O ATOM 654 CB ILE A 40 12.329 8.538 3.092 1.00 0.00 C ATOM 655 CG1 ILE A 40 13.140 8.669 4.410 1.00 0.00 C ATOM 656 CG2 ILE A 40 11.662 7.140 3.090 1.00 0.00 C ATOM 657 CD1 ILE A 40 12.462 9.410 5.580 1.00 0.00 C ATOM 0 H ILE A 40 13.176 10.775 1.406 1.00 0.00 H new ATOM 0 HA ILE A 40 14.039 8.048 1.915 1.00 0.00 H new ATOM 0 HB ILE A 40 11.586 9.335 3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.399 7.666 4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 40 14.076 9.180 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.053 7.026 3.987 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.031 7.039 2.207 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.433 6.369 3.075 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.135 9.430 6.437 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.229 10.431 5.278 1.00 0.00 H new ATOM 0 HD13 ILE A 40 11.542 8.894 5.853 1.00 0.00 H new ATOM 669 N THR A 41 12.603 7.124 0.062 1.00 0.00 N ATOM 670 CA THR A 41 11.839 6.733 -1.100 1.00 0.00 C ATOM 671 C THR A 41 11.450 5.269 -1.021 1.00 0.00 C ATOM 672 O THR A 41 12.255 4.398 -1.340 1.00 0.00 O ATOM 673 CB THR A 41 12.510 7.041 -2.446 1.00 0.00 C ATOM 674 OG1 THR A 41 12.551 8.411 -2.648 1.00 0.00 O ATOM 675 CG2 THR A 41 11.701 6.433 -3.581 1.00 0.00 C ATOM 0 H THR A 41 13.296 6.447 0.383 1.00 0.00 H new ATOM 0 HA THR A 41 10.945 7.356 -1.074 1.00 0.00 H new ATOM 0 HB THR A 41 13.517 6.625 -2.429 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.982 8.602 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.184 6.656 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.643 5.353 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.695 6.854 -3.577 1.00 0.00 H new ATOM 683 N GLN A 42 10.223 5.045 -0.598 1.00 0.00 N ATOM 684 CA GLN A 42 9.657 3.740 -0.452 1.00 0.00 C ATOM 685 C GLN A 42 9.914 2.905 -1.663 1.00 0.00 C ATOM 686 O GLN A 42 9.859 3.339 -2.814 1.00 0.00 O ATOM 687 CB GLN A 42 8.126 4.005 -0.429 1.00 0.00 C ATOM 688 CG GLN A 42 7.370 3.563 0.834 1.00 0.00 C ATOM 689 CD GLN A 42 8.097 2.587 1.747 1.00 0.00 C ATOM 690 OE1 GLN A 42 8.425 3.170 2.904 1.00 0.00 O flip ATOM 691 NE2 GLN A 42 8.351 1.404 1.443 1.00 0.00 N flip ATOM 0 H GLN A 42 9.581 5.795 -0.341 1.00 0.00 H new ATOM 0 HA GLN A 42 10.063 3.230 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.963 5.074 -0.567 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.680 3.501 -1.287 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.121 4.452 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.428 3.108 0.528 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.064 1.038 0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.846 0.803 2.102 1.00 0.00 H new ATOM 700 N GLU A 43 10.209 1.656 -1.439 1.00 0.00 N ATOM 701 CA GLU A 43 10.488 0.706 -2.503 1.00 0.00 C ATOM 702 C GLU A 43 9.883 -0.564 -1.904 1.00 0.00 C ATOM 703 O GLU A 43 10.631 -1.316 -1.323 1.00 0.00 O ATOM 704 CB GLU A 43 11.969 0.650 -2.765 1.00 0.00 C ATOM 705 CG GLU A 43 12.408 1.241 -4.095 1.00 0.00 C ATOM 706 CD GLU A 43 12.364 0.049 -4.999 1.00 0.00 C ATOM 707 OE1 GLU A 43 11.278 -0.669 -4.900 1.00 0.00 O ATOM 708 OE2 GLU A 43 13.264 -0.230 -5.762 1.00 0.00 O ATOM 0 H GLU A 43 10.266 1.254 -0.503 1.00 0.00 H new ATOM 0 HA GLU A 43 10.077 0.928 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 12.485 1.177 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.291 -0.390 -2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.737 2.032 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.407 1.673 -4.039 1.00 0.00 H new ATOM 715 N GLY A 44 8.560 -0.740 -2.074 1.00 0.00 N ATOM 716 CA GLY A 44 7.889 -1.903 -1.549 1.00 0.00 C ATOM 717 C GLY A 44 8.010 -1.809 -0.033 1.00 0.00 C ATOM 718 O GLY A 44 7.162 -1.240 0.658 1.00 0.00 O ATOM 0 H GLY A 44 7.954 -0.087 -2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.843 -1.922 -1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.348 -2.819 -1.921 1.00 0.00 H new ATOM 722 N ASN A 45 9.120 -2.401 0.422 1.00 0.00 N ATOM 723 CA ASN A 45 9.524 -2.481 1.804 1.00 0.00 C ATOM 724 C ASN A 45 10.726 -1.506 1.930 1.00 0.00 C ATOM 725 O ASN A 45 10.545 -0.438 2.463 1.00 0.00 O ATOM 726 CB ASN A 45 9.855 -3.900 2.300 1.00 0.00 C ATOM 727 CG ASN A 45 9.047 -4.946 1.534 1.00 0.00 C ATOM 728 OD1 ASN A 45 9.591 -6.004 1.116 1.00 0.00 O ATOM 729 ND2 ASN A 45 7.770 -4.658 1.352 1.00 0.00 N ATOM 0 H ASN A 45 9.784 -2.855 -0.205 1.00 0.00 H new ATOM 0 HA ASN A 45 8.694 -2.202 2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.920 -4.094 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.640 -3.977 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.167 -5.309 0.849 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.387 -3.785 1.714 1.00 0.00 H new ATOM 736 N LYS A 46 11.861 -1.926 1.434 1.00 0.00 N ATOM 737 CA LYS A 46 13.073 -1.116 1.468 1.00 0.00 C ATOM 738 C LYS A 46 12.781 0.279 0.947 1.00 0.00 C ATOM 739 O LYS A 46 11.764 0.597 0.319 1.00 0.00 O ATOM 740 CB LYS A 46 14.148 -1.615 0.483 1.00 0.00 C ATOM 741 CG LYS A 46 14.843 -0.587 -0.390 1.00 0.00 C ATOM 742 CD LYS A 46 15.690 -1.314 -1.459 1.00 0.00 C ATOM 743 CE LYS A 46 14.842 -2.234 -2.346 1.00 0.00 C ATOM 744 NZ LYS A 46 14.913 -1.956 -3.793 1.00 0.00 N ATOM 0 H LYS A 46 11.982 -2.838 0.993 1.00 0.00 H new ATOM 0 HA LYS A 46 13.409 -1.157 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.913 -2.137 1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.684 -2.352 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 46 14.106 0.057 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 46 15.479 0.055 0.220 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.195 -0.576 -2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.466 -1.901 -0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.154 -3.264 -2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.802 -2.159 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.269 -2.595 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.634 -0.970 -3.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.886 -2.107 -4.128 1.00 0.00 H new ATOM 758 N PHE A 47 13.789 1.122 1.208 1.00 0.00 N ATOM 759 CA PHE A 47 13.677 2.456 0.679 1.00 0.00 C ATOM 760 C PHE A 47 15.019 3.136 0.442 1.00 0.00 C ATOM 761 O PHE A 47 15.880 3.114 1.283 1.00 0.00 O ATOM 762 CB PHE A 47 12.803 3.371 1.596 1.00 0.00 C ATOM 763 CG PHE A 47 12.783 2.964 3.057 1.00 0.00 C ATOM 764 CD1 PHE A 47 13.894 2.531 3.763 1.00 0.00 C ATOM 765 CD2 PHE A 47 11.548 3.039 3.725 1.00 0.00 C ATOM 766 CE1 PHE A 47 13.786 2.178 5.103 1.00 0.00 C ATOM 767 CE2 PHE A 47 11.417 2.691 5.066 1.00 0.00 C ATOM 768 CZ PHE A 47 12.557 2.264 5.728 1.00 0.00 C ATOM 0 H PHE A 47 14.630 0.912 1.746 1.00 0.00 H new ATOM 0 HA PHE A 47 13.193 2.328 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 47 13.171 4.395 1.522 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.781 3.372 1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 47 14.852 2.467 3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.677 3.376 3.182 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.654 1.840 5.650 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.464 2.751 5.571 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.482 1.989 6.770 1.00 0.00 H new ATOM 778 N THR A 48 15.078 3.717 -0.745 1.00 0.00 N ATOM 779 CA THR A 48 16.179 4.443 -1.261 1.00 0.00 C ATOM 780 C THR A 48 16.192 5.623 -0.336 1.00 0.00 C ATOM 781 O THR A 48 15.642 6.695 -0.639 1.00 0.00 O ATOM 782 CB THR A 48 16.058 4.866 -2.738 1.00 0.00 C ATOM 783 OG1 THR A 48 15.160 3.939 -3.328 1.00 0.00 O ATOM 784 CG2 THR A 48 17.444 4.820 -3.385 1.00 0.00 C ATOM 0 H THR A 48 14.297 3.679 -1.400 1.00 0.00 H new ATOM 0 HA THR A 48 17.094 3.851 -1.286 1.00 0.00 H new ATOM 0 HB THR A 48 15.685 5.882 -2.865 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.248 4.297 -3.289 1.00 0.00 H new ATOM 0 HG21 THR A 48 17.367 5.118 -4.431 1.00 0.00 H new ATOM 0 HG22 THR A 48 18.113 5.503 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 48 17.840 3.806 -3.325 1.00 0.00 H new ATOM 792 N VAL A 49 16.829 5.387 0.781 1.00 0.00 N ATOM 793 CA VAL A 49 16.951 6.456 1.814 1.00 0.00 C ATOM 794 C VAL A 49 18.363 6.939 1.545 1.00 0.00 C ATOM 795 O VAL A 49 19.237 6.072 1.635 1.00 0.00 O ATOM 796 CB VAL A 49 16.782 5.984 3.232 1.00 0.00 C ATOM 797 CG1 VAL A 49 17.734 6.628 4.229 1.00 0.00 C ATOM 798 CG2 VAL A 49 15.382 6.285 3.789 1.00 0.00 C ATOM 0 H VAL A 49 17.270 4.499 1.022 1.00 0.00 H new ATOM 0 HA VAL A 49 16.169 7.211 1.737 1.00 0.00 H new ATOM 0 HB VAL A 49 16.980 4.916 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 49 17.542 6.230 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 49 18.763 6.409 3.943 1.00 0.00 H new ATOM 0 HG13 VAL A 49 17.580 7.707 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 49 15.313 5.924 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.207 7.361 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 49 14.632 5.784 3.177 1.00 0.00 H new ATOM 808 N LYS A 50 18.504 8.195 1.248 1.00 0.00 N ATOM 809 CA LYS A 50 19.778 8.846 0.958 1.00 0.00 C ATOM 810 C LYS A 50 20.426 9.024 2.262 1.00 0.00 C ATOM 811 O LYS A 50 20.472 8.008 2.990 1.00 0.00 O ATOM 812 CB LYS A 50 19.490 10.234 0.407 1.00 0.00 C ATOM 813 CG LYS A 50 20.606 10.800 -0.410 1.00 0.00 C ATOM 814 CD LYS A 50 20.287 12.146 -0.975 1.00 0.00 C ATOM 815 CE LYS A 50 21.094 12.234 -2.238 1.00 0.00 C ATOM 816 NZ LYS A 50 22.512 11.965 -1.987 1.00 0.00 N ATOM 0 H LYS A 50 17.711 8.834 1.195 1.00 0.00 H new ATOM 0 HA LYS A 50 20.381 8.274 0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.589 10.193 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 50 19.281 10.909 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.501 10.873 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.837 10.114 -1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.221 12.247 -1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.555 12.941 -0.279 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.710 11.520 -2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.982 13.227 -2.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.094 12.569 -2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.733 12.168 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.717 10.966 -2.190 1.00 0.00 H new ATOM 830 N GLU A 51 20.869 10.219 2.544 1.00 0.00 N ATOM 831 CA GLU A 51 21.494 10.628 3.788 1.00 0.00 C ATOM 832 C GLU A 51 22.666 11.484 3.356 1.00 0.00 C ATOM 833 O GLU A 51 23.749 10.887 3.293 1.00 0.00 O ATOM 834 CB GLU A 51 22.079 9.489 4.565 1.00 0.00 C ATOM 835 CG GLU A 51 22.846 9.857 5.834 1.00 0.00 C ATOM 836 CD GLU A 51 23.031 8.633 6.655 1.00 0.00 C ATOM 837 OE1 GLU A 51 21.997 7.750 6.846 1.00 0.00 O ATOM 838 OE2 GLU A 51 24.124 8.463 7.138 1.00 0.00 O ATOM 0 H GLU A 51 20.802 10.986 1.875 1.00 0.00 H new ATOM 0 HA GLU A 51 20.750 11.112 4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.271 8.811 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.750 8.936 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.813 10.289 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.299 10.612 6.400 1.00 0.00 H new ATOM 845 N SER A 52 22.507 12.738 3.056 1.00 0.00 N ATOM 846 CA SER A 52 23.640 13.480 2.594 1.00 0.00 C ATOM 847 C SER A 52 23.949 14.675 3.448 1.00 0.00 C ATOM 848 O SER A 52 23.698 15.818 3.030 1.00 0.00 O ATOM 849 CB SER A 52 23.374 13.963 1.187 1.00 0.00 C ATOM 850 OG SER A 52 23.614 12.854 0.363 1.00 0.00 O ATOM 0 H SER A 52 21.631 13.257 3.120 1.00 0.00 H new ATOM 0 HA SER A 52 24.497 12.808 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 52 22.349 14.318 1.080 1.00 0.00 H new ATOM 0 HB3 SER A 52 24.028 14.795 0.927 1.00 0.00 H new ATOM 0 HG SER A 52 24.573 12.791 0.170 1.00 0.00 H new ATOM 856 N SER A 53 24.508 14.444 4.626 1.00 0.00 N ATOM 857 CA SER A 53 24.832 15.585 5.448 1.00 0.00 C ATOM 858 C SER A 53 25.908 16.372 4.710 1.00 0.00 C ATOM 859 O SER A 53 26.462 15.823 3.782 1.00 0.00 O ATOM 860 CB SER A 53 25.467 15.250 6.808 1.00 0.00 C ATOM 861 OG SER A 53 26.666 14.513 6.654 1.00 0.00 O ATOM 0 H SER A 53 24.735 13.528 5.014 1.00 0.00 H new ATOM 0 HA SER A 53 23.890 16.103 5.627 1.00 0.00 H new ATOM 0 HB2 SER A 53 25.673 16.172 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 53 24.761 14.677 7.409 1.00 0.00 H new ATOM 0 HG SER A 53 27.045 14.318 7.536 1.00 0.00 H new ATOM 867 N ASN A 54 26.183 17.586 5.107 1.00 0.00 N ATOM 868 CA ASN A 54 27.227 18.317 4.366 1.00 0.00 C ATOM 869 C ASN A 54 28.578 17.777 4.696 1.00 0.00 C ATOM 870 O ASN A 54 29.441 18.554 5.157 1.00 0.00 O ATOM 871 CB ASN A 54 27.138 19.812 4.740 1.00 0.00 C ATOM 872 CG ASN A 54 27.708 20.693 3.662 1.00 0.00 C ATOM 873 OD1 ASN A 54 28.379 20.183 2.765 1.00 0.00 O ATOM 874 ND2 ASN A 54 27.432 21.997 3.771 1.00 0.00 N ATOM 0 H ASN A 54 25.744 18.081 5.884 1.00 0.00 H new ATOM 0 HA ASN A 54 27.072 18.194 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 54 26.097 20.081 4.916 1.00 0.00 H new ATOM 0 HB3 ASN A 54 27.674 19.986 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 54 27.787 22.653 3.076 1.00 0.00 H new ATOM 0 HD22 ASN A 54 26.866 22.335 4.549 1.00 0.00 H new ATOM 881 N PHE A 55 28.853 16.499 4.501 1.00 0.00 N ATOM 882 CA PHE A 55 30.187 16.041 4.846 1.00 0.00 C ATOM 883 C PHE A 55 30.622 14.767 4.264 1.00 0.00 C ATOM 884 O PHE A 55 31.661 14.691 3.648 1.00 0.00 O ATOM 885 CB PHE A 55 30.219 15.672 6.333 1.00 0.00 C ATOM 886 CG PHE A 55 30.235 16.842 7.253 1.00 0.00 C ATOM 887 CD1 PHE A 55 29.030 17.417 7.666 1.00 0.00 C ATOM 888 CD2 PHE A 55 31.415 17.389 7.718 1.00 0.00 C ATOM 889 CE1 PHE A 55 28.959 18.512 8.520 1.00 0.00 C ATOM 890 CE2 PHE A 55 31.354 18.476 8.567 1.00 0.00 C ATOM 891 CZ PHE A 55 30.153 19.053 8.982 1.00 0.00 C ATOM 0 H PHE A 55 28.214 15.796 4.129 1.00 0.00 H new ATOM 0 HA PHE A 55 30.810 16.864 4.498 1.00 0.00 H new ATOM 0 HB2 PHE A 55 29.349 15.056 6.562 1.00 0.00 H new ATOM 0 HB3 PHE A 55 31.101 15.061 6.525 1.00 0.00 H new ATOM 0 HD1 PHE A 55 28.107 16.989 7.303 1.00 0.00 H new ATOM 0 HD2 PHE A 55 32.368 16.974 7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 55 28.007 18.929 8.815 1.00 0.00 H new ATOM 0 HE2 PHE A 55 32.280 18.900 8.927 1.00 0.00 H new ATOM 0 HZ PHE A 55 30.151 19.903 9.649 1.00 0.00 H new ATOM 901 N ARG A 56 29.829 13.735 4.454 1.00 0.00 N ATOM 902 CA ARG A 56 30.167 12.432 3.918 1.00 0.00 C ATOM 903 C ARG A 56 29.482 12.140 2.632 1.00 0.00 C ATOM 904 O ARG A 56 30.159 11.897 1.630 1.00 0.00 O ATOM 905 CB ARG A 56 29.748 11.352 4.934 1.00 0.00 C ATOM 906 CG ARG A 56 30.607 10.099 4.908 1.00 0.00 C ATOM 907 CD ARG A 56 32.104 10.359 4.762 1.00 0.00 C ATOM 908 NE ARG A 56 32.949 9.308 5.315 1.00 0.00 N ATOM 909 CZ ARG A 56 34.178 9.081 4.828 1.00 0.00 C ATOM 910 NH1 ARG A 56 34.686 9.777 3.844 1.00 0.00 N ATOM 911 NH2 ARG A 56 34.920 8.113 5.360 1.00 0.00 N ATOM 0 H ARG A 56 28.951 13.770 4.972 1.00 0.00 H new ATOM 0 HA ARG A 56 31.242 12.430 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 56 29.782 11.780 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 56 28.712 11.072 4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 56 30.437 9.538 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 56 30.279 9.466 4.083 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.339 10.480 3.705 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.347 11.301 5.253 1.00 0.00 H new ATOM 0 HE ARG A 56 32.600 8.736 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 56 34.143 10.527 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 56 35.625 9.570 3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 56 34.553 7.553 6.129 1.00 0.00 H new ATOM 0 HH22 ARG A 56 35.856 7.931 4.998 1.00 0.00 H new ATOM 925 N ASN A 57 28.193 12.178 2.726 1.00 0.00 N ATOM 926 CA ASN A 57 27.272 11.934 1.645 1.00 0.00 C ATOM 927 C ASN A 57 27.362 10.458 1.303 1.00 0.00 C ATOM 928 O ASN A 57 28.414 9.952 0.917 1.00 0.00 O ATOM 929 CB ASN A 57 27.520 12.901 0.493 1.00 0.00 C ATOM 930 CG ASN A 57 26.965 12.305 -0.791 1.00 0.00 C ATOM 931 OD1 ASN A 57 25.727 11.866 -0.664 1.00 0.00 O flip ATOM 932 ND2 ASN A 57 27.634 12.256 -1.831 1.00 0.00 N flip ATOM 0 H ASN A 57 27.720 12.391 3.604 1.00 0.00 H new ATOM 0 HA ASN A 57 26.238 12.137 1.922 1.00 0.00 H new ATOM 0 HB2 ASN A 57 27.043 13.859 0.698 1.00 0.00 H new ATOM 0 HB3 ASN A 57 28.588 13.092 0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 57 28.587 12.620 -1.842 1.00 0.00 H new ATOM 0 HD22 ASN A 57 27.232 11.852 -2.677 1.00 0.00 H new ATOM 939 N ILE A 58 26.230 9.783 1.457 1.00 0.00 N ATOM 940 CA ILE A 58 26.157 8.376 1.178 1.00 0.00 C ATOM 941 C ILE A 58 24.819 7.966 0.551 1.00 0.00 C ATOM 942 O ILE A 58 24.626 8.392 -0.616 1.00 0.00 O ATOM 943 CB ILE A 58 26.418 7.623 2.436 1.00 0.00 C ATOM 944 CG1 ILE A 58 27.726 8.127 3.055 1.00 0.00 C ATOM 945 CG2 ILE A 58 26.594 6.148 2.146 1.00 0.00 C ATOM 946 CD1 ILE A 58 28.095 7.326 4.266 1.00 0.00 C ATOM 0 H ILE A 58 25.354 10.199 1.775 1.00 0.00 H new ATOM 0 HA ILE A 58 26.918 8.133 0.436 1.00 0.00 H new ATOM 0 HB ILE A 58 25.573 7.772 3.108 1.00 0.00 H new ATOM 0 HG12 ILE A 58 28.527 8.067 2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 58 27.622 9.177 3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 58 26.784 5.614 3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 58 25.688 5.758 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 58 27.437 6.008 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 58 29.027 7.706 4.684 1.00 0.00 H new ATOM 0 HD12 ILE A 58 27.304 7.407 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 58 28.223 6.281 3.986 1.00 0.00 H new ATOM 958 N ASP A 59 24.014 7.234 1.265 1.00 0.00 N ATOM 959 CA ASP A 59 22.722 6.771 0.833 1.00 0.00 C ATOM 960 C ASP A 59 22.710 5.294 1.200 1.00 0.00 C ATOM 961 O ASP A 59 23.742 4.635 1.273 1.00 0.00 O ATOM 962 CB ASP A 59 22.472 6.819 -0.657 1.00 0.00 C ATOM 963 CG ASP A 59 21.250 6.144 -1.237 1.00 0.00 C ATOM 964 OD1 ASP A 59 21.137 4.947 -1.177 1.00 0.00 O ATOM 965 OD2 ASP A 59 20.408 7.012 -1.763 1.00 0.00 O ATOM 0 H ASP A 59 24.249 6.928 2.209 1.00 0.00 H new ATOM 0 HA ASP A 59 21.970 7.411 1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 59 22.431 7.869 -0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 59 23.345 6.388 -1.147 1.00 0.00 H new ATOM 970 N VAL A 60 21.536 4.767 1.436 1.00 0.00 N ATOM 971 CA VAL A 60 21.356 3.400 1.805 1.00 0.00 C ATOM 972 C VAL A 60 19.953 2.962 1.471 1.00 0.00 C ATOM 973 O VAL A 60 18.963 3.424 2.038 1.00 0.00 O ATOM 974 CB VAL A 60 21.536 3.288 3.329 1.00 0.00 C ATOM 975 CG1 VAL A 60 22.983 3.122 3.696 1.00 0.00 C ATOM 976 CG2 VAL A 60 21.068 4.568 4.021 1.00 0.00 C ATOM 0 H VAL A 60 20.665 5.293 1.374 1.00 0.00 H new ATOM 0 HA VAL A 60 22.075 2.779 1.271 1.00 0.00 H new ATOM 0 HB VAL A 60 20.952 2.424 3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 60 23.077 3.046 4.779 1.00 0.00 H new ATOM 0 HG12 VAL A 60 23.374 2.216 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 60 23.549 3.984 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 21.203 4.470 5.098 1.00 0.00 H new ATOM 0 HG22 VAL A 60 21.653 5.413 3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.014 4.736 3.801 1.00 0.00 H new ATOM 986 N VAL A 61 19.844 2.053 0.530 1.00 0.00 N ATOM 987 CA VAL A 61 18.552 1.502 0.072 1.00 0.00 C ATOM 988 C VAL A 61 18.405 0.148 0.701 1.00 0.00 C ATOM 989 O VAL A 61 18.638 -0.878 0.067 1.00 0.00 O ATOM 990 CB VAL A 61 18.529 1.414 -1.437 1.00 0.00 C ATOM 991 CG1 VAL A 61 17.150 1.597 -2.047 1.00 0.00 C ATOM 992 CG2 VAL A 61 19.422 2.551 -1.982 1.00 0.00 C ATOM 0 H VAL A 61 20.649 1.659 0.044 1.00 0.00 H new ATOM 0 HA VAL A 61 17.721 2.144 0.365 1.00 0.00 H new ATOM 0 HB VAL A 61 18.873 0.415 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.219 1.520 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 61 16.480 0.824 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.760 2.578 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.429 2.518 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 61 19.030 3.512 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 61 20.438 2.426 -1.609 1.00 0.00 H new ATOM 1002 N PHE A 62 18.021 0.094 1.953 1.00 0.00 N ATOM 1003 CA PHE A 62 17.875 -1.169 2.603 1.00 0.00 C ATOM 1004 C PHE A 62 16.462 -1.571 2.933 1.00 0.00 C ATOM 1005 O PHE A 62 15.647 -0.694 3.267 1.00 0.00 O ATOM 1006 CB PHE A 62 18.656 -1.136 3.945 1.00 0.00 C ATOM 1007 CG PHE A 62 18.088 -0.175 4.963 1.00 0.00 C ATOM 1008 CD1 PHE A 62 18.280 1.192 4.865 1.00 0.00 C ATOM 1009 CD2 PHE A 62 17.350 -0.642 6.040 1.00 0.00 C ATOM 1010 CE1 PHE A 62 17.772 2.110 5.790 1.00 0.00 C ATOM 1011 CE2 PHE A 62 16.822 0.222 6.983 1.00 0.00 C ATOM 1012 CZ PHE A 62 17.033 1.585 6.860 1.00 0.00 C ATOM 0 H PHE A 62 17.807 0.907 2.531 1.00 0.00 H new ATOM 0 HA PHE A 62 18.255 -1.897 1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 62 18.666 -2.139 4.373 1.00 0.00 H new ATOM 0 HB3 PHE A 62 19.693 -0.865 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 62 18.852 1.570 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 62 17.184 -1.704 6.145 1.00 0.00 H new ATOM 0 HE1 PHE A 62 17.941 3.172 5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.248 -0.165 7.812 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.622 2.255 7.600 1.00 0.00 H new ATOM 1022 N GLU A 63 16.245 -2.861 2.828 1.00 0.00 N ATOM 1023 CA GLU A 63 14.994 -3.546 3.084 1.00 0.00 C ATOM 1024 C GLU A 63 14.729 -3.302 4.569 1.00 0.00 C ATOM 1025 O GLU A 63 14.973 -4.237 5.336 1.00 0.00 O ATOM 1026 CB GLU A 63 15.015 -5.082 2.855 1.00 0.00 C ATOM 1027 CG GLU A 63 14.701 -5.430 1.373 1.00 0.00 C ATOM 1028 CD GLU A 63 15.717 -6.271 0.648 1.00 0.00 C ATOM 1029 OE1 GLU A 63 16.224 -7.266 1.312 1.00 0.00 O ATOM 1030 OE2 GLU A 63 16.018 -5.999 -0.492 1.00 0.00 O ATOM 0 H GLU A 63 16.984 -3.504 2.543 1.00 0.00 H new ATOM 0 HA GLU A 63 14.243 -3.165 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.993 -5.480 3.126 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.284 -5.560 3.507 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.743 -5.950 1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.576 -4.497 0.823 1.00 0.00 H new ATOM 1037 N LEU A 64 14.266 -2.100 4.906 1.00 0.00 N ATOM 1038 CA LEU A 64 13.959 -1.654 6.242 1.00 0.00 C ATOM 1039 C LEU A 64 14.075 -2.721 7.319 1.00 0.00 C ATOM 1040 O LEU A 64 13.134 -3.461 7.559 1.00 0.00 O ATOM 1041 CB LEU A 64 12.553 -0.983 6.301 1.00 0.00 C ATOM 1042 CG LEU A 64 11.335 -1.898 6.124 1.00 0.00 C ATOM 1043 CD1 LEU A 64 10.594 -1.935 7.475 1.00 0.00 C ATOM 1044 CD2 LEU A 64 10.338 -1.299 5.132 1.00 0.00 C ATOM 0 H LEU A 64 14.089 -1.379 4.207 1.00 0.00 H new ATOM 0 HA LEU A 64 14.733 -0.921 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.459 -0.477 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.513 -0.213 5.530 1.00 0.00 H new ATOM 0 HG LEU A 64 11.677 -2.873 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.718 -2.578 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.259 -2.327 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.280 -0.927 7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.484 -1.968 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.997 -0.331 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.821 -1.170 4.163 1.00 0.00 H new ATOM 1056 N GLY A 65 15.242 -2.772 7.930 1.00 0.00 N ATOM 1057 CA GLY A 65 15.492 -3.740 8.975 1.00 0.00 C ATOM 1058 C GLY A 65 16.645 -4.727 8.696 1.00 0.00 C ATOM 1059 O GLY A 65 16.421 -5.933 8.711 1.00 0.00 O ATOM 0 H GLY A 65 16.028 -2.157 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 65 15.709 -3.205 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 65 14.579 -4.311 9.145 1.00 0.00 H new ATOM 1063 N VAL A 66 17.827 -4.154 8.466 1.00 0.00 N ATOM 1064 CA VAL A 66 18.988 -4.996 8.205 1.00 0.00 C ATOM 1065 C VAL A 66 20.054 -4.669 9.262 1.00 0.00 C ATOM 1066 O VAL A 66 20.587 -3.576 9.369 1.00 0.00 O ATOM 1067 CB VAL A 66 19.580 -4.833 6.836 1.00 0.00 C ATOM 1068 CG1 VAL A 66 18.965 -5.854 5.899 1.00 0.00 C ATOM 1069 CG2 VAL A 66 19.339 -3.409 6.304 1.00 0.00 C ATOM 0 H VAL A 66 18.001 -3.149 8.455 1.00 0.00 H new ATOM 0 HA VAL A 66 18.652 -6.032 8.257 1.00 0.00 H new ATOM 0 HB VAL A 66 20.656 -4.994 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 66 19.393 -5.738 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.172 -6.858 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 66 17.887 -5.700 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 66 19.776 -3.313 5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.267 -3.218 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.802 -2.686 6.976 1.00 0.00 H new ATOM 1079 N ASP A 67 20.381 -5.664 10.089 1.00 0.00 N ATOM 1080 CA ASP A 67 21.363 -5.452 11.106 1.00 0.00 C ATOM 1081 C ASP A 67 22.787 -5.405 10.640 1.00 0.00 C ATOM 1082 O ASP A 67 23.368 -6.337 10.078 1.00 0.00 O ATOM 1083 CB ASP A 67 21.192 -6.407 12.324 1.00 0.00 C ATOM 1084 CG ASP A 67 19.837 -6.978 12.504 1.00 0.00 C ATOM 1085 OD1 ASP A 67 19.434 -7.650 11.446 1.00 0.00 O ATOM 1086 OD2 ASP A 67 19.216 -6.814 13.533 1.00 0.00 O ATOM 0 H ASP A 67 19.978 -6.601 10.062 1.00 0.00 H new ATOM 0 HA ASP A 67 21.150 -4.437 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 67 21.902 -7.228 12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 67 21.461 -5.863 13.230 1.00 0.00 H new ATOM 1091 N PHE A 68 23.411 -4.272 10.870 1.00 0.00 N ATOM 1092 CA PHE A 68 24.809 -4.076 10.475 1.00 0.00 C ATOM 1093 C PHE A 68 25.550 -3.555 11.703 1.00 0.00 C ATOM 1094 O PHE A 68 24.973 -3.386 12.776 1.00 0.00 O ATOM 1095 CB PHE A 68 25.085 -3.198 9.235 1.00 0.00 C ATOM 1096 CG PHE A 68 24.165 -3.365 8.060 1.00 0.00 C ATOM 1097 CD1 PHE A 68 24.114 -4.552 7.313 1.00 0.00 C ATOM 1098 CD2 PHE A 68 23.301 -2.356 7.633 1.00 0.00 C ATOM 1099 CE1 PHE A 68 23.256 -4.708 6.214 1.00 0.00 C ATOM 1100 CE2 PHE A 68 22.433 -2.499 6.538 1.00 0.00 C ATOM 1101 CZ PHE A 68 22.416 -3.687 5.826 1.00 0.00 C ATOM 0 H PHE A 68 22.983 -3.467 11.327 1.00 0.00 H new ATOM 0 HA PHE A 68 25.171 -5.047 10.136 1.00 0.00 H new ATOM 0 HB2 PHE A 68 25.051 -2.154 9.546 1.00 0.00 H new ATOM 0 HB3 PHE A 68 26.103 -3.398 8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 68 24.757 -5.373 7.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 23.300 -1.419 8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 68 23.254 -5.639 5.666 1.00 0.00 H new ATOM 0 HE2 PHE A 68 21.782 -1.686 6.252 1.00 0.00 H new ATOM 0 HZ PHE A 68 21.755 -3.811 4.981 1.00 0.00 H new ATOM 1111 N ALA A 69 26.823 -3.307 11.526 1.00 0.00 N ATOM 1112 CA ALA A 69 27.753 -2.802 12.534 1.00 0.00 C ATOM 1113 C ALA A 69 28.462 -1.581 11.944 1.00 0.00 C ATOM 1114 O ALA A 69 29.634 -1.606 11.594 1.00 0.00 O ATOM 1115 CB ALA A 69 28.775 -3.840 12.898 1.00 0.00 C ATOM 0 H ALA A 69 27.276 -3.457 10.625 1.00 0.00 H new ATOM 0 HA ALA A 69 27.202 -2.543 13.438 1.00 0.00 H new ATOM 0 HB1 ALA A 69 29.453 -3.435 13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 69 28.273 -4.720 13.299 1.00 0.00 H new ATOM 0 HB3 ALA A 69 29.343 -4.119 12.010 1.00 0.00 H new ATOM 1121 N TYR A 70 27.696 -0.512 11.846 1.00 0.00 N ATOM 1122 CA TYR A 70 28.255 0.695 11.300 1.00 0.00 C ATOM 1123 C TYR A 70 27.754 1.861 12.080 1.00 0.00 C ATOM 1124 O TYR A 70 26.607 1.947 12.442 1.00 0.00 O ATOM 1125 CB TYR A 70 27.877 0.879 9.795 1.00 0.00 C ATOM 1126 CG TYR A 70 26.734 1.854 9.540 1.00 0.00 C ATOM 1127 CD1 TYR A 70 25.409 1.665 9.954 1.00 0.00 C ATOM 1128 CD2 TYR A 70 26.984 3.040 8.842 1.00 0.00 C ATOM 1129 CE1 TYR A 70 24.410 2.614 9.680 1.00 0.00 C ATOM 1130 CE2 TYR A 70 26.000 3.986 8.564 1.00 0.00 C ATOM 1131 CZ TYR A 70 24.692 3.781 8.985 1.00 0.00 C ATOM 1132 OH TYR A 70 23.728 4.703 8.720 1.00 0.00 O ATOM 0 H TYR A 70 26.717 -0.459 12.129 1.00 0.00 H new ATOM 0 HA TYR A 70 29.341 0.626 11.367 1.00 0.00 H new ATOM 0 HB2 TYR A 70 28.758 1.223 9.253 1.00 0.00 H new ATOM 0 HB3 TYR A 70 27.607 -0.092 9.381 1.00 0.00 H new ATOM 0 HD1 TYR A 70 25.149 0.768 10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 70 27.991 3.232 8.501 1.00 0.00 H new ATOM 0 HE1 TYR A 70 23.401 2.431 10.018 1.00 0.00 H new ATOM 0 HE2 TYR A 70 26.255 4.883 8.019 1.00 0.00 H new ATOM 0 HH TYR A 70 24.120 5.453 8.225 1.00 0.00 H new ATOM 1142 N SER A 71 28.679 2.808 12.355 1.00 0.00 N ATOM 1143 CA SER A 71 28.299 3.959 13.099 1.00 0.00 C ATOM 1144 C SER A 71 27.251 4.796 12.394 1.00 0.00 C ATOM 1145 O SER A 71 27.204 4.821 11.171 1.00 0.00 O ATOM 1146 CB SER A 71 29.480 4.886 13.331 1.00 0.00 C ATOM 1147 OG SER A 71 29.598 5.932 12.415 1.00 0.00 O ATOM 0 H SER A 71 29.657 2.773 12.069 1.00 0.00 H new ATOM 0 HA SER A 71 27.904 3.563 14.035 1.00 0.00 H new ATOM 0 HB2 SER A 71 29.400 5.308 14.333 1.00 0.00 H new ATOM 0 HB3 SER A 71 30.396 4.296 13.306 1.00 0.00 H new ATOM 0 HG SER A 71 30.086 5.621 11.624 1.00 0.00 H new ATOM 1153 N LEU A 72 26.475 5.435 13.225 1.00 0.00 N ATOM 1154 CA LEU A 72 25.389 6.310 12.821 1.00 0.00 C ATOM 1155 C LEU A 72 25.929 7.222 11.735 1.00 0.00 C ATOM 1156 O LEU A 72 25.255 7.628 10.765 1.00 0.00 O ATOM 1157 CB LEU A 72 24.878 7.075 14.022 1.00 0.00 C ATOM 1158 CG LEU A 72 24.649 8.572 13.834 1.00 0.00 C ATOM 1159 CD1 LEU A 72 25.941 9.372 13.733 1.00 0.00 C ATOM 1160 CD2 LEU A 72 23.691 8.857 12.686 1.00 0.00 C ATOM 0 H LEU A 72 26.578 5.364 14.237 1.00 0.00 H new ATOM 0 HA LEU A 72 24.540 5.752 12.426 1.00 0.00 H new ATOM 0 HB2 LEU A 72 23.937 6.624 14.338 1.00 0.00 H new ATOM 0 HB3 LEU A 72 25.587 6.939 14.839 1.00 0.00 H new ATOM 0 HG LEU A 72 24.166 8.923 14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 72 25.706 10.428 13.600 1.00 0.00 H new ATOM 0 HD12 LEU A 72 26.522 9.242 14.646 1.00 0.00 H new ATOM 0 HD13 LEU A 72 26.521 9.020 12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 72 23.554 9.934 12.585 1.00 0.00 H new ATOM 0 HD22 LEU A 72 24.103 8.455 11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 72 22.729 8.387 12.890 1.00 0.00 H new ATOM 1172 N ALA A 73 27.226 7.594 11.836 1.00 0.00 N ATOM 1173 CA ALA A 73 27.884 8.461 10.858 1.00 0.00 C ATOM 1174 C ALA A 73 29.393 8.468 10.999 1.00 0.00 C ATOM 1175 O ALA A 73 30.078 8.071 10.055 1.00 0.00 O ATOM 1176 CB ALA A 73 27.322 9.868 10.769 1.00 0.00 C ATOM 0 H ALA A 73 27.835 7.298 12.598 1.00 0.00 H new ATOM 0 HA ALA A 73 27.645 7.999 9.900 1.00 0.00 H new ATOM 0 HB1 ALA A 73 27.874 10.433 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 73 26.270 9.822 10.488 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.418 10.360 11.737 1.00 0.00 H new ATOM 1182 N ASP A 74 29.839 8.918 12.167 1.00 0.00 N ATOM 1183 CA ASP A 74 31.225 9.047 12.599 1.00 0.00 C ATOM 1184 C ASP A 74 31.579 8.330 13.888 1.00 0.00 C ATOM 1185 O ASP A 74 32.735 8.259 14.293 1.00 0.00 O ATOM 1186 CB ASP A 74 31.783 10.431 12.566 1.00 0.00 C ATOM 1187 CG ASP A 74 30.781 11.474 13.107 1.00 0.00 C ATOM 1188 OD1 ASP A 74 29.575 11.120 13.403 1.00 0.00 O ATOM 1189 OD2 ASP A 74 31.127 12.718 13.269 1.00 0.00 O ATOM 0 H ASP A 74 29.190 9.226 12.892 1.00 0.00 H new ATOM 0 HA ASP A 74 31.738 8.501 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 74 32.698 10.467 13.158 1.00 0.00 H new ATOM 0 HB3 ASP A 74 32.055 10.687 11.542 1.00 0.00 H new ATOM 1194 N GLY A 75 30.588 7.767 14.586 1.00 0.00 N ATOM 1195 CA GLY A 75 30.835 7.053 15.837 1.00 0.00 C ATOM 1196 C GLY A 75 31.494 5.668 15.570 1.00 0.00 C ATOM 1197 O GLY A 75 32.596 5.650 15.009 1.00 0.00 O ATOM 0 H GLY A 75 29.608 7.793 14.304 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.483 7.650 16.478 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.896 6.915 16.373 1.00 0.00 H new ATOM 1201 N THR A 76 30.875 4.587 15.940 1.00 0.00 N ATOM 1202 CA THR A 76 31.468 3.303 15.698 1.00 0.00 C ATOM 1203 C THR A 76 30.490 2.215 15.279 1.00 0.00 C ATOM 1204 O THR A 76 30.945 1.300 14.586 1.00 0.00 O ATOM 1205 CB THR A 76 32.142 2.808 17.008 1.00 0.00 C ATOM 1206 OG1 THR A 76 32.932 1.723 16.631 1.00 0.00 O ATOM 1207 CG2 THR A 76 31.097 2.325 17.981 1.00 0.00 C ATOM 0 H THR A 76 29.968 4.566 16.406 1.00 0.00 H new ATOM 0 HA THR A 76 32.164 3.458 14.874 1.00 0.00 H new ATOM 0 HB THR A 76 32.714 3.604 17.485 1.00 0.00 H new ATOM 0 HG1 THR A 76 32.613 1.368 15.775 1.00 0.00 H new ATOM 0 HG21 THR A 76 31.582 1.981 18.895 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.415 3.142 18.218 1.00 0.00 H new ATOM 0 HG23 THR A 76 30.537 1.503 17.535 1.00 0.00 H new ATOM 1215 N GLU A 77 29.223 2.283 15.663 1.00 0.00 N ATOM 1216 CA GLU A 77 28.305 1.226 15.256 1.00 0.00 C ATOM 1217 C GLU A 77 26.831 1.488 15.632 1.00 0.00 C ATOM 1218 O GLU A 77 26.528 2.341 16.441 1.00 0.00 O ATOM 1219 CB GLU A 77 28.598 -0.051 16.090 1.00 0.00 C ATOM 1220 CG GLU A 77 29.675 -1.020 15.601 1.00 0.00 C ATOM 1221 CD GLU A 77 29.225 -2.469 15.532 1.00 0.00 C ATOM 1222 OE1 GLU A 77 28.077 -2.829 15.523 1.00 0.00 O ATOM 1223 OE2 GLU A 77 30.205 -3.324 15.482 1.00 0.00 O ATOM 0 H GLU A 77 28.818 3.026 16.232 1.00 0.00 H new ATOM 0 HA GLU A 77 28.444 1.152 14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 77 28.873 0.268 17.096 1.00 0.00 H new ATOM 0 HB3 GLU A 77 27.666 -0.610 16.176 1.00 0.00 H new ATOM 0 HG2 GLU A 77 30.007 -0.707 14.611 1.00 0.00 H new ATOM 0 HG3 GLU A 77 30.538 -0.951 16.263 1.00 0.00 H new ATOM 1230 N LEU A 78 26.004 0.676 14.988 1.00 0.00 N ATOM 1231 CA LEU A 78 24.558 0.707 15.199 1.00 0.00 C ATOM 1232 C LEU A 78 24.042 -0.684 14.788 1.00 0.00 C ATOM 1233 O LEU A 78 23.830 -0.904 13.567 1.00 0.00 O ATOM 1234 CB LEU A 78 23.848 1.658 14.207 1.00 0.00 C ATOM 1235 CG LEU A 78 23.358 2.970 14.844 1.00 0.00 C ATOM 1236 CD1 LEU A 78 24.426 4.023 14.589 1.00 0.00 C ATOM 1237 CD2 LEU A 78 22.157 3.421 14.035 1.00 0.00 C ATOM 0 H LEU A 78 26.311 -0.020 14.308 1.00 0.00 H new ATOM 0 HA LEU A 78 24.367 1.010 16.228 1.00 0.00 H new ATOM 0 HB2 LEU A 78 24.533 1.894 13.392 1.00 0.00 H new ATOM 0 HB3 LEU A 78 22.996 1.139 13.767 1.00 0.00 H new ATOM 0 HG LEU A 78 23.141 2.840 15.904 1.00 0.00 H new ATOM 0 HD11 LEU A 78 24.114 4.971 15.027 1.00 0.00 H new ATOM 0 HD12 LEU A 78 25.365 3.706 15.042 1.00 0.00 H new ATOM 0 HD13 LEU A 78 24.565 4.148 13.515 1.00 0.00 H new ATOM 0 HD21 LEU A 78 21.769 4.352 14.448 1.00 0.00 H new ATOM 0 HD22 LEU A 78 22.455 3.580 12.999 1.00 0.00 H new ATOM 0 HD23 LEU A 78 21.382 2.656 14.077 1.00 0.00 H new ATOM 1249 N THR A 79 23.851 -1.586 15.678 1.00 0.00 N ATOM 1250 CA THR A 79 23.360 -2.939 15.311 1.00 0.00 C ATOM 1251 C THR A 79 21.955 -3.007 15.940 1.00 0.00 C ATOM 1252 O THR A 79 21.811 -2.697 17.119 1.00 0.00 O ATOM 1253 CB THR A 79 24.132 -4.180 15.788 1.00 0.00 C ATOM 1254 OG1 THR A 79 23.514 -5.347 15.311 1.00 0.00 O ATOM 1255 CG2 THR A 79 24.383 -4.155 17.298 1.00 0.00 C ATOM 0 H THR A 79 24.016 -1.450 16.675 1.00 0.00 H new ATOM 0 HA THR A 79 23.449 -3.006 14.227 1.00 0.00 H new ATOM 0 HB THR A 79 25.133 -4.170 15.356 1.00 0.00 H new ATOM 0 HG1 THR A 79 24.014 -6.131 15.619 1.00 0.00 H new ATOM 0 HG21 THR A 79 24.931 -5.051 17.591 1.00 0.00 H new ATOM 0 HG22 THR A 79 24.968 -3.272 17.555 1.00 0.00 H new ATOM 0 HG23 THR A 79 23.429 -4.125 17.825 1.00 0.00 H new ATOM 1263 N GLY A 80 20.942 -3.403 15.181 1.00 0.00 N ATOM 1264 CA GLY A 80 19.636 -3.466 15.765 1.00 0.00 C ATOM 1265 C GLY A 80 18.511 -3.438 14.708 1.00 0.00 C ATOM 1266 O GLY A 80 17.439 -3.906 15.026 1.00 0.00 O ATOM 0 H GLY A 80 21.005 -3.673 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.550 -4.377 16.357 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.507 -2.628 16.450 1.00 0.00 H new ATOM 1270 N THR A 81 18.923 -2.902 13.603 1.00 0.00 N ATOM 1271 CA THR A 81 18.012 -2.862 12.452 1.00 0.00 C ATOM 1272 C THR A 81 16.906 -1.847 12.518 1.00 0.00 C ATOM 1273 O THR A 81 15.949 -1.799 13.271 1.00 0.00 O ATOM 1274 CB THR A 81 17.343 -4.252 12.275 1.00 0.00 C ATOM 1275 OG1 THR A 81 17.827 -4.885 11.079 1.00 0.00 O ATOM 1276 CG2 THR A 81 15.831 -4.298 12.316 1.00 0.00 C ATOM 0 H THR A 81 19.846 -2.494 13.452 1.00 0.00 H new ATOM 0 HA THR A 81 18.651 -2.573 11.617 1.00 0.00 H new ATOM 0 HB THR A 81 17.642 -4.800 13.168 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.527 -5.818 11.058 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.494 -5.326 12.180 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.482 -3.926 13.279 1.00 0.00 H new ATOM 0 HG23 THR A 81 15.426 -3.675 11.518 1.00 0.00 H new ATOM 1284 N TRP A 82 17.080 -0.900 11.612 1.00 0.00 N ATOM 1285 CA TRP A 82 16.153 0.183 11.500 1.00 0.00 C ATOM 1286 C TRP A 82 14.917 -0.350 10.722 1.00 0.00 C ATOM 1287 O TRP A 82 15.126 -1.050 9.725 1.00 0.00 O ATOM 1288 CB TRP A 82 16.544 1.413 10.664 1.00 0.00 C ATOM 1289 CG TRP A 82 17.851 2.055 10.857 1.00 0.00 C ATOM 1290 CD1 TRP A 82 19.039 1.525 11.229 1.00 0.00 C ATOM 1291 CD2 TRP A 82 18.075 3.457 10.666 1.00 0.00 C ATOM 1292 NE1 TRP A 82 19.946 2.551 11.269 1.00 0.00 N ATOM 1293 CE2 TRP A 82 19.415 3.771 10.935 1.00 0.00 C ATOM 1294 CE3 TRP A 82 17.273 4.553 10.286 1.00 0.00 C ATOM 1295 CZ2 TRP A 82 19.929 5.050 10.845 1.00 0.00 C ATOM 1296 CZ3 TRP A 82 17.750 5.826 10.195 1.00 0.00 C ATOM 1297 CH2 TRP A 82 19.087 6.074 10.476 1.00 0.00 C ATOM 0 H TRP A 82 17.856 -0.870 10.951 1.00 0.00 H new ATOM 0 HA TRP A 82 16.038 0.505 12.535 1.00 0.00 H new ATOM 0 HB2 TRP A 82 16.478 1.124 9.615 1.00 0.00 H new ATOM 0 HB3 TRP A 82 15.782 2.174 10.834 1.00 0.00 H new ATOM 0 HD1 TRP A 82 19.236 0.487 11.453 1.00 0.00 H new ATOM 0 HE1 TRP A 82 20.925 2.420 11.523 1.00 0.00 H new ATOM 0 HE3 TRP A 82 16.233 4.375 10.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 20.970 5.242 11.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 17.094 6.635 9.907 1.00 0.00 H new ATOM 0 HH2 TRP A 82 19.470 7.081 10.404 1.00 0.00 H new ATOM 1308 N THR A 83 13.723 -0.018 11.153 1.00 0.00 N ATOM 1309 CA THR A 83 12.469 -0.406 10.547 1.00 0.00 C ATOM 1310 C THR A 83 11.466 0.659 10.995 1.00 0.00 C ATOM 1311 O THR A 83 11.776 1.477 11.820 1.00 0.00 O ATOM 1312 CB THR A 83 11.827 -1.741 10.983 1.00 0.00 C ATOM 1313 OG1 THR A 83 11.830 -1.740 12.386 1.00 0.00 O ATOM 1314 CG2 THR A 83 12.624 -2.957 10.507 1.00 0.00 C ATOM 0 H THR A 83 13.592 0.562 11.982 1.00 0.00 H new ATOM 0 HA THR A 83 12.687 -0.513 9.484 1.00 0.00 H new ATOM 0 HB THR A 83 10.829 -1.816 10.551 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.428 -2.571 12.715 1.00 0.00 H new ATOM 0 HG21 THR A 83 12.129 -3.869 10.840 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.680 -2.952 9.418 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.631 -2.918 10.923 1.00 0.00 H new ATOM 1322 N MET A 84 10.281 0.628 10.453 1.00 0.00 N ATOM 1323 CA MET A 84 9.283 1.598 10.846 1.00 0.00 C ATOM 1324 C MET A 84 8.105 0.733 11.288 1.00 0.00 C ATOM 1325 O MET A 84 8.377 -0.244 11.977 1.00 0.00 O ATOM 1326 CB MET A 84 8.905 2.288 9.512 1.00 0.00 C ATOM 1327 CG MET A 84 8.362 1.355 8.413 1.00 0.00 C ATOM 1328 SD MET A 84 6.991 2.000 7.424 1.00 0.00 S ATOM 1329 CE MET A 84 7.790 2.974 6.158 1.00 0.00 C ATOM 0 H MET A 84 9.980 -0.045 9.748 1.00 0.00 H new ATOM 0 HA MET A 84 9.578 2.316 11.611 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.156 3.052 9.718 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.786 2.801 9.126 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.182 1.105 7.740 1.00 0.00 H new ATOM 0 HG3 MET A 84 8.039 0.425 8.881 1.00 0.00 H new ATOM 0 HE1 MET A 84 7.037 3.523 5.592 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.480 3.679 6.622 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.341 2.316 5.486 1.00 0.00 H new ATOM 1339 N GLU A 85 6.876 1.068 10.909 1.00 0.00 N ATOM 1340 CA GLU A 85 5.768 0.206 11.344 1.00 0.00 C ATOM 1341 C GLU A 85 4.602 0.400 10.429 1.00 0.00 C ATOM 1342 O GLU A 85 3.959 -0.590 10.080 1.00 0.00 O ATOM 1343 CB GLU A 85 5.455 0.493 12.799 1.00 0.00 C ATOM 1344 CG GLU A 85 4.747 -0.714 13.422 1.00 0.00 C ATOM 1345 CD GLU A 85 3.591 -0.385 14.305 1.00 0.00 C ATOM 1346 OE1 GLU A 85 2.670 0.328 13.954 1.00 0.00 O ATOM 1347 OE2 GLU A 85 3.654 -0.937 15.496 1.00 0.00 O ATOM 0 H GLU A 85 6.624 1.875 10.339 1.00 0.00 H new ATOM 0 HA GLU A 85 6.039 -0.848 11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.375 0.708 13.343 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.823 1.378 12.878 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.398 -1.364 12.620 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.475 -1.284 14.000 1.00 0.00 H new ATOM 1354 N GLY A 86 4.315 1.627 10.036 1.00 0.00 N ATOM 1355 CA GLY A 86 3.213 1.924 9.154 1.00 0.00 C ATOM 1356 C GLY A 86 2.963 3.375 9.506 1.00 0.00 C ATOM 1357 O GLY A 86 2.634 4.182 8.668 1.00 0.00 O ATOM 0 H GLY A 86 4.847 2.448 10.325 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.474 1.791 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.345 1.294 9.349 1.00 0.00 H new ATOM 1361 N ASN A 87 3.140 3.649 10.791 1.00 0.00 N ATOM 1362 CA ASN A 87 2.942 4.983 11.283 1.00 0.00 C ATOM 1363 C ASN A 87 4.275 5.622 11.664 1.00 0.00 C ATOM 1364 O ASN A 87 4.332 6.783 12.007 1.00 0.00 O ATOM 1365 CB ASN A 87 1.775 5.225 12.214 1.00 0.00 C ATOM 1366 CG ASN A 87 2.360 5.496 13.590 1.00 0.00 C ATOM 1367 OD1 ASN A 87 3.037 4.545 14.186 1.00 0.00 O flip ATOM 1368 ND2 ASN A 87 2.189 6.614 14.128 1.00 0.00 N flip ATOM 0 H ASN A 87 3.417 2.966 11.496 1.00 0.00 H new ATOM 0 HA ASN A 87 2.554 5.551 10.437 1.00 0.00 H new ATOM 0 HB2 ASN A 87 1.178 6.071 11.874 1.00 0.00 H new ATOM 0 HB3 ASN A 87 1.114 4.359 12.239 1.00 0.00 H new ATOM 0 HD21 ASN A 87 1.658 7.337 13.643 1.00 0.00 H new ATOM 0 HD22 ASN A 87 2.581 6.801 15.051 1.00 0.00 H new ATOM 1375 N LYS A 88 5.375 4.897 11.618 1.00 0.00 N ATOM 1376 CA LYS A 88 6.617 5.493 11.971 1.00 0.00 C ATOM 1377 C LYS A 88 7.826 4.561 11.791 1.00 0.00 C ATOM 1378 O LYS A 88 7.671 3.419 12.136 1.00 0.00 O ATOM 1379 CB LYS A 88 6.818 5.788 13.447 1.00 0.00 C ATOM 1380 CG LYS A 88 6.529 4.708 14.454 1.00 0.00 C ATOM 1381 CD LYS A 88 6.948 5.263 15.810 1.00 0.00 C ATOM 1382 CE LYS A 88 5.880 6.173 16.333 1.00 0.00 C ATOM 1383 NZ LYS A 88 6.365 7.030 17.406 1.00 0.00 N ATOM 0 H LYS A 88 5.421 3.916 11.344 1.00 0.00 H new ATOM 0 HA LYS A 88 6.569 6.373 11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.855 6.095 13.583 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.196 6.647 13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.471 4.447 14.451 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.082 3.799 14.218 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.119 4.446 16.511 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.889 5.806 15.717 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.501 6.791 15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 88 5.043 5.577 16.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.875 7.947 17.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.178 6.577 18.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.388 7.179 17.296 1.00 0.00 H new ATOM 1397 N LEU A 89 8.889 5.169 11.309 1.00 0.00 N ATOM 1398 CA LEU A 89 10.173 4.535 11.150 1.00 0.00 C ATOM 1399 C LEU A 89 10.587 4.141 12.584 1.00 0.00 C ATOM 1400 O LEU A 89 9.835 4.225 13.538 1.00 0.00 O ATOM 1401 CB LEU A 89 11.161 5.594 10.575 1.00 0.00 C ATOM 1402 CG LEU A 89 12.029 5.244 9.388 1.00 0.00 C ATOM 1403 CD1 LEU A 89 11.523 4.100 8.562 1.00 0.00 C ATOM 1404 CD2 LEU A 89 12.053 6.467 8.444 1.00 0.00 C ATOM 0 H LEU A 89 8.880 6.144 11.010 1.00 0.00 H new ATOM 0 HA LEU A 89 10.162 3.674 10.482 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.575 6.471 10.302 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.825 5.894 11.386 1.00 0.00 H new ATOM 0 HG LEU A 89 13.000 4.963 9.796 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.207 3.919 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.458 3.205 9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.535 4.343 8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 89 12.673 6.244 7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.038 6.694 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.464 7.327 8.973 1.00 0.00 H new ATOM 1416 N VAL A 90 11.825 3.710 12.740 1.00 0.00 N ATOM 1417 CA VAL A 90 12.510 3.311 13.924 1.00 0.00 C ATOM 1418 C VAL A 90 13.986 3.115 13.505 1.00 0.00 C ATOM 1419 O VAL A 90 14.395 2.076 13.006 1.00 0.00 O ATOM 1420 CB VAL A 90 12.018 2.015 14.551 1.00 0.00 C ATOM 1421 CG1 VAL A 90 12.249 2.058 16.060 1.00 0.00 C ATOM 1422 CG2 VAL A 90 10.536 1.776 14.416 1.00 0.00 C ATOM 0 H VAL A 90 12.437 3.627 11.928 1.00 0.00 H new ATOM 0 HA VAL A 90 12.345 4.078 14.681 1.00 0.00 H new ATOM 0 HB VAL A 90 12.568 1.235 14.025 1.00 0.00 H new ATOM 0 HG11 VAL A 90 11.896 1.129 16.509 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.313 2.177 16.262 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.702 2.898 16.488 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.275 0.830 14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.991 2.587 14.899 1.00 0.00 H new ATOM 0 HG23 VAL A 90 10.268 1.737 13.360 1.00 0.00 H new ATOM 1432 N GLY A 91 14.777 4.161 13.695 1.00 0.00 N ATOM 1433 CA GLY A 91 16.177 4.210 13.361 1.00 0.00 C ATOM 1434 C GLY A 91 16.961 3.083 14.002 1.00 0.00 C ATOM 1435 O GLY A 91 18.024 2.748 13.487 1.00 0.00 O ATOM 0 H GLY A 91 14.438 5.032 14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 91 16.292 4.160 12.278 1.00 0.00 H new ATOM 0 HA3 GLY A 91 16.591 5.166 13.681 1.00 0.00 H new ATOM 1439 N LYS A 92 16.387 2.576 15.051 1.00 0.00 N ATOM 1440 CA LYS A 92 16.898 1.482 15.826 1.00 0.00 C ATOM 1441 C LYS A 92 18.345 1.608 16.119 1.00 0.00 C ATOM 1442 O LYS A 92 18.878 2.687 15.899 1.00 0.00 O ATOM 1443 CB LYS A 92 16.526 0.152 15.182 1.00 0.00 C ATOM 1444 CG LYS A 92 15.015 0.022 15.410 1.00 0.00 C ATOM 1445 CD LYS A 92 14.822 -0.294 16.892 1.00 0.00 C ATOM 1446 CE LYS A 92 13.633 -1.180 17.088 1.00 0.00 C ATOM 1447 NZ LYS A 92 14.001 -2.573 16.804 1.00 0.00 N ATOM 0 H LYS A 92 15.501 2.933 15.410 1.00 0.00 H new ATOM 0 HA LYS A 92 16.417 1.514 16.804 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.769 0.144 14.119 1.00 0.00 H new ATOM 0 HB3 LYS A 92 17.069 -0.675 15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.502 0.945 15.141 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.596 -0.769 14.788 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.714 -0.781 17.285 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.690 0.631 17.453 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.267 -1.092 18.111 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.822 -0.867 16.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.139 -3.147 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 14.545 -2.615 15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.579 -2.945 17.584 1.00 0.00 H new ATOM 1461 N PHE A 93 18.986 0.552 16.648 1.00 0.00 N ATOM 1462 CA PHE A 93 20.380 0.585 17.081 1.00 0.00 C ATOM 1463 C PHE A 93 20.635 -0.442 18.197 1.00 0.00 C ATOM 1464 O PHE A 93 19.868 -1.388 18.333 1.00 0.00 O ATOM 1465 CB PHE A 93 20.430 1.907 17.905 1.00 0.00 C ATOM 1466 CG PHE A 93 19.152 2.004 18.732 1.00 0.00 C ATOM 1467 CD1 PHE A 93 18.712 1.024 19.609 1.00 0.00 C ATOM 1468 CD2 PHE A 93 18.397 3.139 18.575 1.00 0.00 C ATOM 1469 CE1 PHE A 93 17.518 1.117 20.353 1.00 0.00 C ATOM 1470 CE2 PHE A 93 17.238 3.249 19.318 1.00 0.00 C ATOM 1471 CZ PHE A 93 16.789 2.264 20.191 1.00 0.00 C ATOM 0 H PHE A 93 18.540 -0.355 16.785 1.00 0.00 H new ATOM 0 HA PHE A 93 21.050 0.445 16.233 1.00 0.00 H new ATOM 0 HB2 PHE A 93 21.305 1.916 18.555 1.00 0.00 H new ATOM 0 HB3 PHE A 93 20.518 2.766 17.240 1.00 0.00 H new ATOM 0 HD1 PHE A 93 19.319 0.139 19.729 1.00 0.00 H new ATOM 0 HD2 PHE A 93 18.699 3.920 17.893 1.00 0.00 H new ATOM 0 HE1 PHE A 93 17.196 0.326 21.015 1.00 0.00 H new ATOM 0 HE2 PHE A 93 16.649 4.148 19.216 1.00 0.00 H new ATOM 0 HZ PHE A 93 15.869 2.404 20.739 1.00 0.00 H new ATOM 1481 N LYS A 94 21.690 -0.017 18.842 1.00 0.00 N ATOM 1482 CA LYS A 94 22.377 -0.471 20.039 1.00 0.00 C ATOM 1483 C LYS A 94 23.815 -0.559 19.599 1.00 0.00 C ATOM 1484 O LYS A 94 24.258 -1.653 19.353 1.00 0.00 O ATOM 1485 CB LYS A 94 21.928 -1.762 20.605 1.00 0.00 C ATOM 1486 CG LYS A 94 20.781 -1.338 21.515 1.00 0.00 C ATOM 1487 CD LYS A 94 19.673 -2.328 21.679 1.00 0.00 C ATOM 1488 CE LYS A 94 19.946 -3.395 22.716 1.00 0.00 C ATOM 1489 NZ LYS A 94 20.725 -4.473 22.096 1.00 0.00 N ATOM 0 H LYS A 94 22.175 0.802 18.475 1.00 0.00 H new ATOM 0 HA LYS A 94 22.178 0.220 20.858 1.00 0.00 H new ATOM 0 HB2 LYS A 94 21.597 -2.453 19.829 1.00 0.00 H new ATOM 0 HB3 LYS A 94 22.723 -2.261 21.159 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.189 -1.113 22.500 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.359 -0.411 21.126 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.762 -1.796 21.952 1.00 0.00 H new ATOM 0 HD3 LYS A 94 19.485 -2.809 20.719 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.493 -2.971 23.558 1.00 0.00 H new ATOM 0 HE3 LYS A 94 19.008 -3.786 23.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.166 -5.350 22.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 20.959 -4.213 21.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.603 -4.621 22.634 1.00 0.00 H new ATOM 1503 N ARG A 95 24.364 0.624 19.503 1.00 0.00 N ATOM 1504 CA ARG A 95 25.709 0.877 19.084 1.00 0.00 C ATOM 1505 C ARG A 95 26.658 -0.130 19.779 1.00 0.00 C ATOM 1506 O ARG A 95 26.279 -0.936 20.572 1.00 0.00 O ATOM 1507 CB ARG A 95 26.298 2.171 19.585 1.00 0.00 C ATOM 1508 CG ARG A 95 25.528 3.431 19.607 1.00 0.00 C ATOM 1509 CD ARG A 95 24.159 3.514 18.962 1.00 0.00 C ATOM 1510 NE ARG A 95 24.073 4.834 18.350 1.00 0.00 N ATOM 1511 CZ ARG A 95 23.315 5.870 18.659 1.00 0.00 C ATOM 1512 NH1 ARG A 95 22.319 5.819 19.521 1.00 0.00 N ATOM 1513 NH2 ARG A 95 23.553 7.059 18.068 1.00 0.00 N ATOM 0 H ARG A 95 23.854 1.478 19.728 1.00 0.00 H new ATOM 0 HA ARG A 95 25.644 0.845 17.996 1.00 0.00 H new ATOM 0 HB2 ARG A 95 26.630 1.989 20.607 1.00 0.00 H new ATOM 0 HB3 ARG A 95 27.191 2.360 18.989 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.407 3.715 20.653 1.00 0.00 H new ATOM 0 HG3 ARG A 95 26.149 4.195 19.139 1.00 0.00 H new ATOM 0 HD2 ARG A 95 24.033 2.730 18.215 1.00 0.00 H new ATOM 0 HD3 ARG A 95 23.371 3.377 19.703 1.00 0.00 H new ATOM 0 HE ARG A 95 24.698 4.981 17.557 1.00 0.00 H new ATOM 0 HH11 ARG A 95 22.097 4.942 19.993 1.00 0.00 H new ATOM 0 HH12 ARG A 95 21.770 6.656 19.716 1.00 0.00 H new ATOM 0 HH21 ARG A 95 24.311 7.150 17.391 1.00 0.00 H new ATOM 0 HH22 ARG A 95 22.975 7.867 18.298 1.00 0.00 H new ATOM 1527 N VAL A 96 27.892 0.040 19.497 1.00 0.00 N ATOM 1528 CA VAL A 96 28.963 -0.718 20.115 1.00 0.00 C ATOM 1529 C VAL A 96 29.659 0.259 21.095 1.00 0.00 C ATOM 1530 O VAL A 96 30.022 -0.216 22.151 1.00 0.00 O ATOM 1531 CB VAL A 96 29.914 -1.184 19.061 1.00 0.00 C ATOM 1532 CG1 VAL A 96 31.309 -1.280 19.727 1.00 0.00 C ATOM 1533 CG2 VAL A 96 29.405 -2.536 18.556 1.00 0.00 C ATOM 0 H VAL A 96 28.218 0.724 18.814 1.00 0.00 H new ATOM 0 HA VAL A 96 28.598 -1.602 20.639 1.00 0.00 H new ATOM 0 HB VAL A 96 29.987 -0.512 18.206 1.00 0.00 H new ATOM 0 HG11 VAL A 96 32.040 -1.618 18.993 1.00 0.00 H new ATOM 0 HG12 VAL A 96 31.600 -0.300 20.104 1.00 0.00 H new ATOM 0 HG13 VAL A 96 31.270 -1.990 20.553 1.00 0.00 H new ATOM 0 HG21 VAL A 96 30.075 -2.911 17.782 1.00 0.00 H new ATOM 0 HG22 VAL A 96 29.373 -3.245 19.383 1.00 0.00 H new ATOM 0 HG23 VAL A 96 28.404 -2.416 18.142 1.00 0.00 H new ATOM 1543 N ASP A 97 29.762 1.499 20.661 1.00 0.00 N ATOM 1544 CA ASP A 97 30.384 2.493 21.592 1.00 0.00 C ATOM 1545 C ASP A 97 29.791 2.351 22.992 1.00 0.00 C ATOM 1546 O ASP A 97 30.490 2.447 24.017 1.00 0.00 O ATOM 1547 CB ASP A 97 30.199 3.912 21.077 1.00 0.00 C ATOM 1548 CG ASP A 97 30.577 5.011 22.052 1.00 0.00 C ATOM 1549 OD1 ASP A 97 31.825 5.010 22.418 1.00 0.00 O ATOM 1550 OD2 ASP A 97 29.787 5.856 22.481 1.00 0.00 O ATOM 0 H ASP A 97 29.460 1.850 19.752 1.00 0.00 H new ATOM 0 HA ASP A 97 31.454 2.289 21.642 1.00 0.00 H new ATOM 0 HB2 ASP A 97 30.793 4.032 20.171 1.00 0.00 H new ATOM 0 HB3 ASP A 97 29.155 4.044 20.793 1.00 0.00 H new ATOM 1555 N ASN A 98 28.498 2.102 22.966 1.00 0.00 N ATOM 1556 CA ASN A 98 27.660 1.908 24.142 1.00 0.00 C ATOM 1557 C ASN A 98 26.244 1.399 23.984 1.00 0.00 C ATOM 1558 O ASN A 98 25.408 1.759 24.828 1.00 0.00 O ATOM 1559 CB ASN A 98 27.835 3.175 25.030 1.00 0.00 C ATOM 1560 CG ASN A 98 27.042 3.273 26.322 1.00 0.00 C ATOM 1561 OD1 ASN A 98 25.919 3.861 26.444 1.00 0.00 O ATOM 1562 ND2 ASN A 98 27.612 2.693 27.343 1.00 0.00 N ATOM 0 H ASN A 98 27.977 2.025 22.093 1.00 0.00 H new ATOM 0 HA ASN A 98 28.025 1.011 24.643 1.00 0.00 H new ATOM 0 HB2 ASN A 98 28.892 3.258 25.283 1.00 0.00 H new ATOM 0 HB3 ASN A 98 27.584 4.043 24.421 1.00 0.00 H new ATOM 0 HD21 ASN A 98 27.158 2.706 28.256 1.00 0.00 H new ATOM 0 HD22 ASN A 98 28.512 2.226 27.228 1.00 0.00 H new ATOM 1569 N GLY A 99 25.948 0.592 22.948 1.00 0.00 N ATOM 1570 CA GLY A 99 24.572 0.141 22.810 1.00 0.00 C ATOM 1571 C GLY A 99 23.586 1.323 22.853 1.00 0.00 C ATOM 1572 O GLY A 99 22.705 1.303 23.711 1.00 0.00 O ATOM 0 H GLY A 99 26.604 0.261 22.240 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.457 -0.397 21.869 1.00 0.00 H new ATOM 0 HA3 GLY A 99 24.336 -0.561 23.610 1.00 0.00 H new ATOM 1576 N LYS A 100 23.770 2.318 21.947 1.00 0.00 N ATOM 1577 CA LYS A 100 22.870 3.427 22.034 1.00 0.00 C ATOM 1578 C LYS A 100 21.457 3.273 21.412 1.00 0.00 C ATOM 1579 O LYS A 100 21.257 2.308 20.726 1.00 0.00 O ATOM 1580 CB LYS A 100 23.442 4.782 21.738 1.00 0.00 C ATOM 1581 CG LYS A 100 24.295 5.383 22.864 1.00 0.00 C ATOM 1582 CD LYS A 100 25.723 5.527 22.426 1.00 0.00 C ATOM 1583 CE LYS A 100 26.489 6.738 22.946 1.00 0.00 C ATOM 1584 NZ LYS A 100 25.835 7.386 24.085 1.00 0.00 N ATOM 0 H LYS A 100 24.480 2.354 21.216 1.00 0.00 H new ATOM 0 HA LYS A 100 22.707 3.380 23.111 1.00 0.00 H new ATOM 0 HB2 LYS A 100 24.051 4.714 20.837 1.00 0.00 H new ATOM 0 HB3 LYS A 100 22.623 5.466 21.518 1.00 0.00 H new ATOM 0 HG2 LYS A 100 23.897 6.357 23.149 1.00 0.00 H new ATOM 0 HG3 LYS A 100 24.242 4.746 23.747 1.00 0.00 H new ATOM 0 HD2 LYS A 100 26.262 4.630 22.729 1.00 0.00 H new ATOM 0 HD3 LYS A 100 25.742 5.557 21.337 1.00 0.00 H new ATOM 0 HE2 LYS A 100 27.492 6.428 23.239 1.00 0.00 H new ATOM 0 HE3 LYS A 100 26.602 7.462 22.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 26.496 8.054 24.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 24.993 7.900 23.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 25.551 6.665 24.779 1.00 0.00 H new ATOM 1598 N GLU A 101 20.600 4.215 21.728 1.00 0.00 N ATOM 1599 CA GLU A 101 19.258 4.109 21.204 1.00 0.00 C ATOM 1600 C GLU A 101 18.665 5.253 20.423 1.00 0.00 C ATOM 1601 O GLU A 101 17.651 5.759 20.818 1.00 0.00 O ATOM 1602 CB GLU A 101 18.340 3.510 22.313 1.00 0.00 C ATOM 1603 CG GLU A 101 18.774 2.058 22.656 1.00 0.00 C ATOM 1604 CD GLU A 101 19.668 1.960 23.876 1.00 0.00 C ATOM 1605 OE1 GLU A 101 20.319 3.067 24.047 1.00 0.00 O ATOM 1606 OE2 GLU A 101 19.786 0.992 24.616 1.00 0.00 O ATOM 0 H GLU A 101 20.792 5.026 22.316 1.00 0.00 H new ATOM 0 HA GLU A 101 19.339 3.426 20.358 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.389 4.131 23.208 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.303 3.516 21.977 1.00 0.00 H new ATOM 0 HG2 GLU A 101 17.883 1.451 22.820 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.296 1.633 21.799 1.00 0.00 H new ATOM 1613 N LEU A 102 19.364 5.522 19.323 1.00 0.00 N ATOM 1614 CA LEU A 102 19.084 6.531 18.330 1.00 0.00 C ATOM 1615 C LEU A 102 17.550 6.376 18.168 1.00 0.00 C ATOM 1616 O LEU A 102 16.907 7.174 18.792 1.00 0.00 O ATOM 1617 CB LEU A 102 19.697 6.141 16.957 1.00 0.00 C ATOM 1618 CG LEU A 102 21.154 6.586 16.865 1.00 0.00 C ATOM 1619 CD1 LEU A 102 21.952 5.449 16.247 1.00 0.00 C ATOM 1620 CD2 LEU A 102 21.157 7.791 15.934 1.00 0.00 C ATOM 0 H LEU A 102 20.205 4.993 19.094 1.00 0.00 H new ATOM 0 HA LEU A 102 19.460 7.515 18.611 1.00 0.00 H new ATOM 0 HB2 LEU A 102 19.633 5.062 16.819 1.00 0.00 H new ATOM 0 HB3 LEU A 102 19.121 6.600 16.153 1.00 0.00 H new ATOM 0 HG LEU A 102 21.587 6.837 17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 102 23.000 5.740 16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 102 21.868 4.562 16.875 1.00 0.00 H new ATOM 0 HD13 LEU A 102 21.562 5.229 15.253 1.00 0.00 H new ATOM 0 HD21 LEU A 102 22.176 8.163 15.823 1.00 0.00 H new ATOM 0 HD22 LEU A 102 20.769 7.498 14.958 1.00 0.00 H new ATOM 0 HD23 LEU A 102 20.528 8.576 16.353 1.00 0.00 H new ATOM 1632 N ILE A 103 17.183 5.413 17.375 1.00 0.00 N ATOM 1633 CA ILE A 103 15.785 5.008 17.128 1.00 0.00 C ATOM 1634 C ILE A 103 15.382 5.856 15.927 1.00 0.00 C ATOM 1635 O ILE A 103 14.220 5.732 15.568 1.00 0.00 O ATOM 1636 CB ILE A 103 14.944 5.272 18.349 1.00 0.00 C ATOM 1637 CG1 ILE A 103 14.475 3.976 19.013 1.00 0.00 C ATOM 1638 CG2 ILE A 103 13.756 6.210 18.142 1.00 0.00 C ATOM 1639 CD1 ILE A 103 14.440 2.719 18.213 1.00 0.00 C ATOM 0 H ILE A 103 17.856 4.853 16.852 1.00 0.00 H new ATOM 0 HA ILE A 103 15.654 3.945 16.927 1.00 0.00 H new ATOM 0 HB ILE A 103 15.626 5.802 19.014 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.118 3.798 19.875 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.469 4.149 19.396 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.220 6.331 19.083 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.114 7.181 17.801 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.085 5.788 17.394 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.084 1.900 18.838 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.768 2.847 17.364 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.442 2.490 17.851 1.00 0.00 H new ATOM 1651 N ALA A 104 16.339 6.593 15.421 1.00 0.00 N ATOM 1652 CA ALA A 104 16.245 7.493 14.289 1.00 0.00 C ATOM 1653 C ALA A 104 15.040 7.093 13.444 1.00 0.00 C ATOM 1654 O ALA A 104 15.225 6.526 12.388 1.00 0.00 O ATOM 1655 CB ALA A 104 17.484 7.509 13.382 1.00 0.00 C ATOM 0 H ALA A 104 17.279 6.581 15.818 1.00 0.00 H new ATOM 0 HA ALA A 104 16.151 8.495 14.707 1.00 0.00 H new ATOM 0 HB1 ALA A 104 17.326 8.209 12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 104 18.354 7.818 13.961 1.00 0.00 H new ATOM 0 HB3 ALA A 104 17.653 6.510 12.979 1.00 0.00 H new ATOM 1661 N VAL A 105 13.913 7.407 14.005 1.00 0.00 N ATOM 1662 CA VAL A 105 12.592 7.082 13.456 1.00 0.00 C ATOM 1663 C VAL A 105 12.481 7.946 12.213 1.00 0.00 C ATOM 1664 O VAL A 105 13.329 7.771 11.350 1.00 0.00 O ATOM 1665 CB VAL A 105 11.477 7.327 14.445 1.00 0.00 C ATOM 1666 CG1 VAL A 105 10.072 6.896 14.009 1.00 0.00 C ATOM 1667 CG2 VAL A 105 11.711 6.676 15.816 1.00 0.00 C ATOM 0 H VAL A 105 13.864 7.914 14.889 1.00 0.00 H new ATOM 0 HA VAL A 105 12.493 6.022 13.222 1.00 0.00 H new ATOM 0 HB VAL A 105 11.510 8.415 14.503 1.00 0.00 H new ATOM 0 HG11 VAL A 105 9.359 7.123 14.802 1.00 0.00 H new ATOM 0 HG12 VAL A 105 9.791 7.434 13.103 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.065 5.824 13.811 1.00 0.00 H new ATOM 0 HG21 VAL A 105 10.869 6.896 16.472 1.00 0.00 H new ATOM 0 HG22 VAL A 105 11.805 5.597 15.695 1.00 0.00 H new ATOM 0 HG23 VAL A 105 12.626 7.073 16.256 1.00 0.00 H new ATOM 1677 N ARG A 106 11.501 8.802 12.166 1.00 0.00 N ATOM 1678 CA ARG A 106 11.180 9.716 11.081 1.00 0.00 C ATOM 1679 C ARG A 106 9.642 9.730 11.107 1.00 0.00 C ATOM 1680 O ARG A 106 9.147 10.607 10.444 1.00 0.00 O ATOM 1681 CB ARG A 106 11.657 9.385 9.734 1.00 0.00 C ATOM 1682 CG ARG A 106 12.469 10.571 9.236 1.00 0.00 C ATOM 1683 CD ARG A 106 13.948 10.399 9.097 1.00 0.00 C ATOM 1684 NE ARG A 106 14.533 11.736 8.977 1.00 0.00 N ATOM 1685 CZ ARG A 106 15.757 12.096 9.362 1.00 0.00 C ATOM 1686 NH1 ARG A 106 16.553 11.194 9.917 1.00 0.00 N ATOM 1687 NH2 ARG A 106 16.137 13.336 9.171 1.00 0.00 N ATOM 0 H ARG A 106 10.847 8.895 12.943 1.00 0.00 H new ATOM 0 HA ARG A 106 11.689 10.664 11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.268 8.483 9.754 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.818 9.187 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.073 10.862 8.263 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.292 11.406 9.914 1.00 0.00 H new ATOM 0 HD2 ARG A 106 14.357 9.877 9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.184 9.796 8.220 1.00 0.00 H new ATOM 0 HE ARG A 106 13.949 12.460 8.559 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.227 10.236 10.045 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.492 11.457 10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.500 14.003 8.736 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.069 13.634 9.458 1.00 0.00 H new ATOM 1701 N GLU A 107 9.105 8.762 11.798 1.00 0.00 N ATOM 1702 CA GLU A 107 7.707 8.610 12.068 1.00 0.00 C ATOM 1703 C GLU A 107 6.811 9.181 10.945 1.00 0.00 C ATOM 1704 O GLU A 107 6.076 8.429 10.340 1.00 0.00 O ATOM 1705 CB GLU A 107 7.538 9.615 13.260 1.00 0.00 C ATOM 1706 CG GLU A 107 7.390 8.902 14.608 1.00 0.00 C ATOM 1707 CD GLU A 107 6.169 9.189 15.503 1.00 0.00 C ATOM 1708 OE1 GLU A 107 5.011 9.139 15.153 1.00 0.00 O ATOM 1709 OE2 GLU A 107 6.465 9.515 16.753 1.00 0.00 O ATOM 0 H GLU A 107 9.667 8.017 12.210 1.00 0.00 H new ATOM 0 HA GLU A 107 7.436 7.564 12.213 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.401 10.280 13.296 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.662 10.239 13.084 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.402 7.830 14.410 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.281 9.128 15.194 1.00 0.00 H new ATOM 1716 N ILE A 108 6.981 10.482 10.811 1.00 0.00 N ATOM 1717 CA ILE A 108 6.320 11.356 9.842 1.00 0.00 C ATOM 1718 C ILE A 108 4.865 11.522 10.197 1.00 0.00 C ATOM 1719 O ILE A 108 4.174 10.575 10.499 1.00 0.00 O ATOM 1720 CB ILE A 108 6.525 10.727 8.478 1.00 0.00 C ATOM 1721 CG1 ILE A 108 6.548 11.921 7.532 1.00 0.00 C ATOM 1722 CG2 ILE A 108 5.416 9.810 8.002 1.00 0.00 C ATOM 1723 CD1 ILE A 108 7.135 11.588 6.191 1.00 0.00 C ATOM 0 H ILE A 108 7.625 10.997 11.412 1.00 0.00 H new ATOM 0 HA ILE A 108 6.742 12.361 9.844 1.00 0.00 H new ATOM 0 HB ILE A 108 7.419 10.104 8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.532 12.292 7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 108 7.124 12.728 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.667 9.417 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.300 8.984 8.704 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.482 10.369 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 108 7.126 12.476 5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.161 11.244 6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.545 10.802 5.721 1.00 0.00 H new ATOM 1735 N SER A 109 4.430 12.781 10.180 1.00 0.00 N ATOM 1736 CA SER A 109 3.054 13.039 10.550 1.00 0.00 C ATOM 1737 C SER A 109 2.757 14.460 10.279 1.00 0.00 C ATOM 1738 O SER A 109 3.139 15.386 10.958 1.00 0.00 O ATOM 1739 CB SER A 109 2.878 12.731 12.034 1.00 0.00 C ATOM 1740 OG SER A 109 1.748 13.408 12.509 1.00 0.00 O ATOM 0 H SER A 109 4.985 13.598 9.926 1.00 0.00 H new ATOM 0 HA SER A 109 2.372 12.412 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.765 11.657 12.185 1.00 0.00 H new ATOM 0 HB3 SER A 109 3.763 13.039 12.590 1.00 0.00 H new ATOM 0 HG SER A 109 1.627 13.214 13.462 1.00 0.00 H new ATOM 1746 N GLY A 110 1.986 14.651 9.218 1.00 0.00 N ATOM 1747 CA GLY A 110 1.532 15.926 8.754 1.00 0.00 C ATOM 1748 C GLY A 110 2.687 16.781 8.302 1.00 0.00 C ATOM 1749 O GLY A 110 3.074 17.690 9.040 1.00 0.00 O ATOM 0 H GLY A 110 1.653 13.878 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 110 0.833 15.788 7.929 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.989 16.434 9.551 1.00 0.00 H new ATOM 1753 N ASN A 111 3.196 16.478 7.133 1.00 0.00 N ATOM 1754 CA ASN A 111 4.306 17.233 6.610 1.00 0.00 C ATOM 1755 C ASN A 111 5.443 17.293 7.659 1.00 0.00 C ATOM 1756 O ASN A 111 5.942 18.364 7.961 1.00 0.00 O ATOM 1757 CB ASN A 111 4.015 18.619 6.006 1.00 0.00 C ATOM 1758 CG ASN A 111 3.354 18.675 4.640 1.00 0.00 C ATOM 1759 OD1 ASN A 111 2.642 17.625 4.333 1.00 0.00 O flip ATOM 1760 ND2 ASN A 111 3.466 19.631 3.872 1.00 0.00 N flip ATOM 0 H ASN A 111 2.864 15.723 6.532 1.00 0.00 H new ATOM 0 HA ASN A 111 4.612 16.669 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.381 19.163 6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.959 19.161 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.030 20.438 4.141 1.00 0.00 H new ATOM 0 HD22 ASN A 111 2.995 19.616 2.967 1.00 0.00 H new ATOM 1767 N GLU A 112 5.823 16.144 8.190 1.00 0.00 N ATOM 1768 CA GLU A 112 6.862 16.089 9.179 1.00 0.00 C ATOM 1769 C GLU A 112 7.905 15.041 8.709 1.00 0.00 C ATOM 1770 O GLU A 112 7.925 14.677 7.550 1.00 0.00 O ATOM 1771 CB GLU A 112 6.299 15.559 10.543 1.00 0.00 C ATOM 1772 CG GLU A 112 6.347 16.579 11.691 1.00 0.00 C ATOM 1773 CD GLU A 112 5.790 17.944 11.315 1.00 0.00 C ATOM 1774 OE1 GLU A 112 6.603 18.792 10.738 1.00 0.00 O ATOM 1775 OE2 GLU A 112 4.624 18.213 11.559 1.00 0.00 O ATOM 0 H GLU A 112 5.421 15.239 7.946 1.00 0.00 H new ATOM 0 HA GLU A 112 7.282 17.087 9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 112 5.266 15.243 10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.864 14.674 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 112 5.784 16.187 12.538 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.380 16.695 12.020 1.00 0.00 H new ATOM 1782 N LEU A 113 8.666 14.652 9.705 1.00 0.00 N ATOM 1783 CA LEU A 113 9.698 13.608 9.680 1.00 0.00 C ATOM 1784 C LEU A 113 9.963 13.374 11.178 1.00 0.00 C ATOM 1785 O LEU A 113 10.125 12.252 11.600 1.00 0.00 O ATOM 1786 CB LEU A 113 10.923 13.913 8.831 1.00 0.00 C ATOM 1787 CG LEU A 113 10.734 13.399 7.396 1.00 0.00 C ATOM 1788 CD1 LEU A 113 12.119 13.326 6.805 1.00 0.00 C ATOM 1789 CD2 LEU A 113 10.180 11.990 7.452 1.00 0.00 C ATOM 0 H LEU A 113 8.584 15.080 10.627 1.00 0.00 H new ATOM 0 HA LEU A 113 9.371 12.704 9.166 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.102 14.988 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.804 13.449 9.275 1.00 0.00 H new ATOM 0 HG LEU A 113 10.063 14.038 6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.058 12.965 5.778 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.572 14.318 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.730 12.642 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 113 10.041 11.613 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.878 11.346 7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 113 9.222 11.996 7.971 1.00 0.00 H new ATOM 1801 N ILE A 114 10.001 14.367 11.995 1.00 0.00 N ATOM 1802 CA ILE A 114 10.138 14.124 13.380 1.00 0.00 C ATOM 1803 C ILE A 114 11.331 13.276 13.752 1.00 0.00 C ATOM 1804 O ILE A 114 11.386 13.045 14.982 1.00 0.00 O ATOM 1805 CB ILE A 114 8.982 13.228 13.842 1.00 0.00 C ATOM 1806 CG1 ILE A 114 7.802 12.919 12.975 1.00 0.00 C ATOM 1807 CG2 ILE A 114 8.553 13.790 15.207 1.00 0.00 C ATOM 1808 CD1 ILE A 114 6.579 13.860 13.187 1.00 0.00 C ATOM 0 H ILE A 114 9.939 15.349 11.727 1.00 0.00 H new ATOM 0 HA ILE A 114 10.200 15.118 13.822 1.00 0.00 H new ATOM 0 HB ILE A 114 9.406 12.224 13.832 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.110 12.975 11.931 1.00 0.00 H new ATOM 0 HG13 ILE A 114 7.490 11.891 13.161 1.00 0.00 H new ATOM 0 HG21 ILE A 114 7.727 13.198 15.601 1.00 0.00 H new ATOM 0 HG22 ILE A 114 9.394 13.746 15.899 1.00 0.00 H new ATOM 0 HG23 ILE A 114 8.233 14.826 15.090 1.00 0.00 H new ATOM 0 HD11 ILE A 114 5.771 13.563 12.518 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.240 13.788 14.220 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.869 14.888 12.971 1.00 0.00 H new ATOM 1820 N GLN A 115 12.156 12.897 12.801 1.00 0.00 N ATOM 1821 CA GLN A 115 13.349 12.104 13.046 1.00 0.00 C ATOM 1822 C GLN A 115 13.164 11.189 14.220 1.00 0.00 C ATOM 1823 O GLN A 115 13.048 9.991 14.023 1.00 0.00 O ATOM 1824 CB GLN A 115 14.381 13.223 13.287 1.00 0.00 C ATOM 1825 CG GLN A 115 14.457 14.138 12.044 1.00 0.00 C ATOM 1826 CD GLN A 115 15.925 14.482 11.977 1.00 0.00 C ATOM 1827 OE1 GLN A 115 16.782 13.749 11.526 1.00 0.00 O ATOM 1828 NE2 GLN A 115 16.260 15.676 12.491 1.00 0.00 N ATOM 0 H GLN A 115 12.018 13.133 11.818 1.00 0.00 H new ATOM 0 HA GLN A 115 13.634 11.418 12.248 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.101 13.807 14.164 1.00 0.00 H new ATOM 0 HB3 GLN A 115 15.360 12.790 13.492 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.119 13.626 11.143 1.00 0.00 H new ATOM 0 HG3 GLN A 115 13.837 15.027 12.157 1.00 0.00 H new ATOM 0 HE21 GLN A 115 15.538 16.289 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 115 17.237 15.970 12.504 1.00 0.00 H new ATOM 1837 N THR A 116 13.101 11.753 15.399 1.00 0.00 N ATOM 1838 CA THR A 116 12.829 11.121 16.672 1.00 0.00 C ATOM 1839 C THR A 116 13.842 10.110 17.092 1.00 0.00 C ATOM 1840 O THR A 116 13.413 9.005 17.409 1.00 0.00 O ATOM 1841 CB THR A 116 11.420 10.482 16.786 1.00 0.00 C ATOM 1842 OG1 THR A 116 10.395 11.448 16.527 1.00 0.00 O ATOM 1843 CG2 THR A 116 11.173 9.998 18.203 1.00 0.00 C ATOM 0 H THR A 116 13.252 12.756 15.506 1.00 0.00 H new ATOM 0 HA THR A 116 12.882 11.970 17.354 1.00 0.00 H new ATOM 0 HB THR A 116 11.388 9.666 16.064 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.509 11.812 15.624 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.180 9.552 18.267 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.923 9.253 18.469 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.238 10.840 18.892 1.00 0.00 H new ATOM 1851 N TYR A 117 15.126 10.466 17.136 1.00 0.00 N ATOM 1852 CA TYR A 117 16.039 9.489 17.607 1.00 0.00 C ATOM 1853 C TYR A 117 16.454 9.766 19.064 1.00 0.00 C ATOM 1854 O TYR A 117 17.240 10.700 19.354 1.00 0.00 O ATOM 1855 CB TYR A 117 17.402 9.530 16.890 1.00 0.00 C ATOM 1856 CG TYR A 117 17.699 10.219 15.571 1.00 0.00 C ATOM 1857 CD1 TYR A 117 16.775 10.598 14.624 1.00 0.00 C ATOM 1858 CD2 TYR A 117 19.033 10.512 15.223 1.00 0.00 C ATOM 1859 CE1 TYR A 117 17.072 11.202 13.417 1.00 0.00 C ATOM 1860 CE2 TYR A 117 19.353 11.127 14.015 1.00 0.00 C ATOM 1861 CZ TYR A 117 18.379 11.488 13.077 1.00 0.00 C ATOM 1862 OH TYR A 117 18.737 12.095 11.882 1.00 0.00 O ATOM 0 H TYR A 117 15.516 11.369 16.865 1.00 0.00 H new ATOM 0 HA TYR A 117 15.505 8.552 17.452 1.00 0.00 H new ATOM 0 HB2 TYR A 117 18.099 9.960 17.609 1.00 0.00 H new ATOM 0 HB3 TYR A 117 17.691 8.489 16.749 1.00 0.00 H new ATOM 0 HD1 TYR A 117 15.734 10.408 14.842 1.00 0.00 H new ATOM 0 HD2 TYR A 117 19.826 10.254 15.909 1.00 0.00 H new ATOM 0 HE1 TYR A 117 16.274 11.453 12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 117 20.390 11.333 13.794 1.00 0.00 H new ATOM 0 HH TYR A 117 18.120 12.832 11.692 1.00 0.00 H new ATOM 1872 N THR A 118 15.905 8.923 19.900 1.00 0.00 N ATOM 1873 CA THR A 118 16.032 9.007 21.341 1.00 0.00 C ATOM 1874 C THR A 118 17.086 8.120 21.887 1.00 0.00 C ATOM 1875 O THR A 118 16.763 7.197 22.644 1.00 0.00 O ATOM 1876 CB THR A 118 14.726 8.747 22.131 1.00 0.00 C ATOM 1877 OG1 THR A 118 13.639 9.402 21.473 1.00 0.00 O ATOM 1878 CG2 THR A 118 14.989 9.277 23.503 1.00 0.00 C ATOM 0 H THR A 118 15.339 8.133 19.592 1.00 0.00 H new ATOM 0 HA THR A 118 16.310 10.051 21.488 1.00 0.00 H new ATOM 0 HB THR A 118 14.448 7.695 22.187 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.810 9.238 21.969 1.00 0.00 H new ATOM 0 HG21 THR A 118 14.107 9.129 24.126 1.00 0.00 H new ATOM 0 HG22 THR A 118 15.835 8.748 23.941 1.00 0.00 H new ATOM 0 HG23 THR A 118 15.217 10.341 23.444 1.00 0.00 H new ATOM 1886 N TYR A 119 18.378 8.373 21.597 1.00 0.00 N ATOM 1887 CA TYR A 119 19.493 7.621 22.111 1.00 0.00 C ATOM 1888 C TYR A 119 19.561 7.905 23.616 1.00 0.00 C ATOM 1889 O TYR A 119 19.751 9.005 24.066 1.00 0.00 O ATOM 1890 CB TYR A 119 20.833 8.016 21.429 1.00 0.00 C ATOM 1891 CG TYR A 119 21.303 9.330 21.928 1.00 0.00 C ATOM 1892 CD1 TYR A 119 20.796 10.480 21.383 1.00 0.00 C ATOM 1893 CD2 TYR A 119 22.251 9.466 22.959 1.00 0.00 C ATOM 1894 CE1 TYR A 119 21.218 11.699 21.862 1.00 0.00 C ATOM 1895 CE2 TYR A 119 22.684 10.691 23.447 1.00 0.00 C ATOM 1896 CZ TYR A 119 22.148 11.833 22.884 1.00 0.00 C ATOM 1897 OH TYR A 119 22.468 13.107 23.262 1.00 0.00 O ATOM 0 H TYR A 119 18.661 9.133 20.978 1.00 0.00 H new ATOM 0 HA TYR A 119 19.348 6.560 21.906 1.00 0.00 H new ATOM 0 HB2 TYR A 119 21.587 7.254 21.628 1.00 0.00 H new ATOM 0 HB3 TYR A 119 20.699 8.058 20.348 1.00 0.00 H new ATOM 0 HD1 TYR A 119 20.071 10.430 20.584 1.00 0.00 H new ATOM 0 HD2 TYR A 119 22.664 8.568 23.394 1.00 0.00 H new ATOM 0 HE1 TYR A 119 20.806 12.595 21.422 1.00 0.00 H new ATOM 0 HE2 TYR A 119 23.415 10.749 24.240 1.00 0.00 H new ATOM 0 HH TYR A 119 22.459 13.170 24.240 1.00 0.00 H new ATOM 1907 N GLU A 120 19.389 6.814 24.388 1.00 0.00 N ATOM 1908 CA GLU A 120 19.468 6.974 25.844 1.00 0.00 C ATOM 1909 C GLU A 120 18.444 7.881 26.442 1.00 0.00 C ATOM 1910 O GLU A 120 18.423 8.304 27.589 1.00 0.00 O ATOM 1911 CB GLU A 120 20.938 7.393 26.120 1.00 0.00 C ATOM 1912 CG GLU A 120 21.080 8.611 27.045 1.00 0.00 C ATOM 1913 CD GLU A 120 21.028 8.298 28.532 1.00 0.00 C ATOM 1914 OE1 GLU A 120 20.696 7.231 29.021 1.00 0.00 O ATOM 1915 OE2 GLU A 120 21.374 9.297 29.273 1.00 0.00 O ATOM 0 H GLU A 120 19.206 5.869 24.051 1.00 0.00 H new ATOM 0 HA GLU A 120 19.217 6.040 26.348 1.00 0.00 H new ATOM 0 HB2 GLU A 120 21.468 6.550 26.563 1.00 0.00 H new ATOM 0 HB3 GLU A 120 21.426 7.612 25.171 1.00 0.00 H new ATOM 0 HG2 GLU A 120 22.026 9.106 26.826 1.00 0.00 H new ATOM 0 HG3 GLU A 120 20.287 9.321 26.810 1.00 0.00 H new ATOM 1922 N GLY A 121 17.463 8.241 25.626 1.00 0.00 N ATOM 1923 CA GLY A 121 16.403 9.124 26.083 1.00 0.00 C ATOM 1924 C GLY A 121 16.559 10.565 25.607 1.00 0.00 C ATOM 1925 O GLY A 121 16.050 11.486 26.227 1.00 0.00 O ATOM 0 H GLY A 121 17.380 7.939 24.655 1.00 0.00 H new ATOM 0 HA2 GLY A 121 15.445 8.737 25.736 1.00 0.00 H new ATOM 0 HA3 GLY A 121 16.376 9.111 27.173 1.00 0.00 H new ATOM 1929 N VAL A 122 17.297 10.700 24.478 1.00 0.00 N ATOM 1930 CA VAL A 122 17.545 11.996 23.927 1.00 0.00 C ATOM 1931 C VAL A 122 17.135 12.059 22.458 1.00 0.00 C ATOM 1932 O VAL A 122 18.005 11.990 21.607 1.00 0.00 O ATOM 1933 CB VAL A 122 19.059 12.302 24.119 1.00 0.00 C ATOM 1934 CG1 VAL A 122 19.404 13.642 23.497 1.00 0.00 C ATOM 1935 CG2 VAL A 122 19.301 12.420 25.609 1.00 0.00 C ATOM 0 H VAL A 122 17.711 9.925 23.961 1.00 0.00 H new ATOM 0 HA VAL A 122 16.947 12.750 24.439 1.00 0.00 H new ATOM 0 HB VAL A 122 19.659 11.518 23.657 1.00 0.00 H new ATOM 0 HG11 VAL A 122 20.466 13.846 23.637 1.00 0.00 H new ATOM 0 HG12 VAL A 122 19.177 13.618 22.431 1.00 0.00 H new ATOM 0 HG13 VAL A 122 18.818 14.427 23.975 1.00 0.00 H new ATOM 0 HG21 VAL A 122 20.354 12.635 25.791 1.00 0.00 H new ATOM 0 HG22 VAL A 122 18.691 13.227 26.014 1.00 0.00 H new ATOM 0 HG23 VAL A 122 19.033 11.483 26.097 1.00 0.00 H new ATOM 1945 N GLU A 123 15.876 12.191 22.151 1.00 0.00 N ATOM 1946 CA GLU A 123 15.306 12.304 20.847 1.00 0.00 C ATOM 1947 C GLU A 123 15.917 13.488 20.192 1.00 0.00 C ATOM 1948 O GLU A 123 16.136 14.503 20.855 1.00 0.00 O ATOM 1949 CB GLU A 123 13.785 12.682 20.957 1.00 0.00 C ATOM 1950 CG GLU A 123 13.042 12.369 19.621 1.00 0.00 C ATOM 1951 CD GLU A 123 11.551 12.469 19.526 1.00 0.00 C ATOM 1952 OE1 GLU A 123 11.017 11.851 20.559 1.00 0.00 O ATOM 1953 OE2 GLU A 123 10.793 12.981 18.718 1.00 0.00 O ATOM 0 H GLU A 123 15.161 12.225 22.877 1.00 0.00 H new ATOM 0 HA GLU A 123 15.460 11.365 20.316 1.00 0.00 H new ATOM 0 HB2 GLU A 123 13.325 12.126 21.774 1.00 0.00 H new ATOM 0 HB3 GLU A 123 13.684 13.741 21.196 1.00 0.00 H new ATOM 0 HG2 GLU A 123 13.456 13.034 18.862 1.00 0.00 H new ATOM 0 HG3 GLU A 123 13.313 11.352 19.336 1.00 0.00 H new ATOM 1960 N ALA A 124 16.170 13.308 18.889 1.00 0.00 N ATOM 1961 CA ALA A 124 16.761 14.417 18.126 1.00 0.00 C ATOM 1962 C ALA A 124 15.998 14.556 16.809 1.00 0.00 C ATOM 1963 O ALA A 124 16.095 13.739 15.931 1.00 0.00 O ATOM 1964 CB ALA A 124 18.233 14.340 17.870 1.00 0.00 C ATOM 0 H ALA A 124 15.987 12.454 18.363 1.00 0.00 H new ATOM 0 HA ALA A 124 16.659 15.298 18.759 1.00 0.00 H new ATOM 0 HB1 ALA A 124 18.549 15.213 17.300 1.00 0.00 H new ATOM 0 HB2 ALA A 124 18.767 14.314 18.820 1.00 0.00 H new ATOM 0 HB3 ALA A 124 18.457 13.436 17.304 1.00 0.00 H new ATOM 1970 N LYS A 125 15.225 15.651 16.779 1.00 0.00 N ATOM 1971 CA LYS A 125 14.382 15.908 15.617 1.00 0.00 C ATOM 1972 C LYS A 125 14.351 17.379 15.437 1.00 0.00 C ATOM 1973 O LYS A 125 15.321 18.043 15.882 1.00 0.00 O ATOM 1974 CB LYS A 125 12.948 15.339 15.854 1.00 0.00 C ATOM 1975 CG LYS A 125 12.925 14.457 17.090 1.00 0.00 C ATOM 1976 CD LYS A 125 12.658 15.318 18.359 1.00 0.00 C ATOM 1977 CE LYS A 125 11.516 16.310 18.298 1.00 0.00 C ATOM 1978 NZ LYS A 125 11.498 17.041 19.586 1.00 0.00 N ATOM 0 H LYS A 125 15.169 16.348 17.522 1.00 0.00 H new ATOM 0 HA LYS A 125 14.772 15.420 14.724 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.240 16.159 15.972 1.00 0.00 H new ATOM 0 HB3 LYS A 125 12.629 14.765 14.984 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.151 13.696 16.988 1.00 0.00 H new ATOM 0 HG3 LYS A 125 13.876 13.934 17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.472 14.641 19.193 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.570 15.868 18.592 1.00 0.00 H new ATOM 0 HE2 LYS A 125 11.651 17.001 17.466 1.00 0.00 H new ATOM 0 HE3 LYS A 125 10.569 15.796 18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 10.723 17.734 19.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 11.355 16.368 20.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.404 17.535 19.717 1.00 0.00 H new ATOM 1992 N ARG A 126 13.329 17.927 14.841 1.00 0.00 N ATOM 1993 CA ARG A 126 13.054 19.353 14.559 1.00 0.00 C ATOM 1994 C ARG A 126 12.369 19.242 13.214 1.00 0.00 C ATOM 1995 O ARG A 126 11.410 19.951 13.061 1.00 0.00 O ATOM 1996 CB ARG A 126 14.180 20.309 14.520 1.00 0.00 C ATOM 1997 CG ARG A 126 14.384 20.797 15.921 1.00 0.00 C ATOM 1998 CD ARG A 126 14.978 22.183 15.860 1.00 0.00 C ATOM 1999 NE ARG A 126 13.927 23.161 15.645 1.00 0.00 N ATOM 2000 CZ ARG A 126 14.100 24.478 15.696 1.00 0.00 C ATOM 2001 NH1 ARG A 126 15.305 24.935 15.962 1.00 0.00 N ATOM 2002 NH2 ARG A 126 13.121 25.350 15.494 1.00 0.00 N ATOM 0 H ARG A 126 12.571 17.340 14.493 1.00 0.00 H new ATOM 0 HA ARG A 126 12.492 19.796 15.381 1.00 0.00 H new ATOM 0 HB2 ARG A 126 15.083 19.828 14.143 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.958 21.140 13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 126 13.436 20.814 16.459 1.00 0.00 H new ATOM 0 HG3 ARG A 126 15.047 20.124 16.465 1.00 0.00 H new ATOM 0 HD2 ARG A 126 15.507 22.403 16.787 1.00 0.00 H new ATOM 0 HD3 ARG A 126 15.710 22.239 15.054 1.00 0.00 H new ATOM 0 HE ARG A 126 12.990 22.813 15.440 1.00 0.00 H new ATOM 0 HH11 ARG A 126 16.074 24.284 16.122 1.00 0.00 H new ATOM 0 HH12 ARG A 126 15.470 25.940 16.008 1.00 0.00 H new ATOM 0 HH21 ARG A 126 12.178 25.020 15.287 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.311 26.351 15.545 1.00 0.00 H new ATOM 2016 N ILE A 127 12.907 18.364 12.384 1.00 0.00 N ATOM 2017 CA ILE A 127 12.406 17.988 11.105 1.00 0.00 C ATOM 2018 C ILE A 127 13.281 18.241 9.948 1.00 0.00 C ATOM 2019 O ILE A 127 14.197 19.078 9.961 1.00 0.00 O ATOM 2020 CB ILE A 127 10.994 18.553 10.779 1.00 0.00 C ATOM 2021 CG1 ILE A 127 9.985 17.690 11.555 1.00 0.00 C ATOM 2022 CG2 ILE A 127 10.540 18.551 9.328 1.00 0.00 C ATOM 2023 CD1 ILE A 127 10.335 17.258 12.960 1.00 0.00 C ATOM 0 H ILE A 127 13.767 17.869 12.619 1.00 0.00 H new ATOM 0 HA ILE A 127 12.354 16.907 11.237 1.00 0.00 H new ATOM 0 HB ILE A 127 11.047 19.607 11.052 1.00 0.00 H new ATOM 0 HG12 ILE A 127 9.045 18.240 11.602 1.00 0.00 H new ATOM 0 HG13 ILE A 127 9.798 16.790 10.969 1.00 0.00 H new ATOM 0 HG21 ILE A 127 9.538 18.974 9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 127 11.228 19.149 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 127 10.528 17.528 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 127 9.523 16.657 13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 127 11.250 16.666 12.941 1.00 0.00 H new ATOM 0 HD13 ILE A 127 10.485 18.139 13.585 1.00 0.00 H new ATOM 2035 N PHE A 128 12.888 17.463 8.910 1.00 0.00 N ATOM 2036 CA PHE A 128 13.331 17.403 7.594 1.00 0.00 C ATOM 2037 C PHE A 128 13.439 18.769 6.895 1.00 0.00 C ATOM 2038 O PHE A 128 12.735 19.668 7.314 1.00 0.00 O ATOM 2039 CB PHE A 128 12.301 16.666 6.699 1.00 0.00 C ATOM 2040 CG PHE A 128 10.957 17.379 6.443 1.00 0.00 C ATOM 2041 CD1 PHE A 128 10.817 18.569 5.777 1.00 0.00 C ATOM 2042 CD2 PHE A 128 9.789 16.798 6.895 1.00 0.00 C ATOM 2043 CE1 PHE A 128 9.592 19.195 5.544 1.00 0.00 C ATOM 2044 CE2 PHE A 128 8.564 17.388 6.682 1.00 0.00 C ATOM 2045 CZ PHE A 128 8.443 18.587 6.008 1.00 0.00 C ATOM 0 H PHE A 128 12.142 16.783 9.056 1.00 0.00 H new ATOM 0 HA PHE A 128 14.303 16.918 7.684 1.00 0.00 H new ATOM 0 HB2 PHE A 128 12.769 16.470 5.734 1.00 0.00 H new ATOM 0 HB3 PHE A 128 12.090 15.698 7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 128 11.710 19.052 5.410 1.00 0.00 H new ATOM 0 HD2 PHE A 128 9.838 15.860 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 128 9.544 20.134 5.013 1.00 0.00 H new ATOM 0 HE2 PHE A 128 7.674 16.900 7.052 1.00 0.00 H new ATOM 0 HZ PHE A 128 7.475 19.037 5.848 1.00 0.00 H new ATOM 2055 N LYS A 129 14.265 18.650 5.899 1.00 0.00 N ATOM 2056 CA LYS A 129 14.603 19.754 5.049 1.00 0.00 C ATOM 2057 C LYS A 129 14.145 19.403 3.641 1.00 0.00 C ATOM 2058 O LYS A 129 14.553 20.092 2.754 1.00 0.00 O ATOM 2059 CB LYS A 129 15.924 20.432 5.165 1.00 0.00 C ATOM 2060 CG LYS A 129 15.691 21.913 4.801 1.00 0.00 C ATOM 2061 CD LYS A 129 16.745 22.400 3.830 1.00 0.00 C ATOM 2062 CE LYS A 129 18.112 22.505 4.530 1.00 0.00 C ATOM 2063 NZ LYS A 129 18.925 23.674 4.153 1.00 0.00 N ATOM 0 H LYS A 129 14.728 17.776 5.651 1.00 0.00 H new ATOM 0 HA LYS A 129 14.055 20.608 5.447 1.00 0.00 H new ATOM 0 HB2 LYS A 129 16.320 20.339 6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 129 16.653 19.978 4.494 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.701 22.032 4.360 1.00 0.00 H new ATOM 0 HG3 LYS A 129 15.713 22.522 5.705 1.00 0.00 H new ATOM 0 HD2 LYS A 129 16.814 21.715 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.458 23.373 3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.949 22.529 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 129 18.682 21.602 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 19.824 23.655 4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 19.118 23.647 3.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 18.408 24.546 4.385 1.00 0.00 H new ATOM 2077 N LYS A 130 13.278 18.441 3.696 1.00 0.00 N ATOM 2078 CA LYS A 130 12.700 17.851 2.551 1.00 0.00 C ATOM 2079 C LYS A 130 13.076 18.533 1.260 1.00 0.00 C ATOM 2080 O LYS A 130 13.197 19.768 1.071 1.00 0.00 O ATOM 2081 CB LYS A 130 11.180 17.708 2.547 1.00 0.00 C ATOM 2082 CG LYS A 130 10.498 17.700 1.147 1.00 0.00 C ATOM 2083 CD LYS A 130 9.968 19.041 0.685 1.00 0.00 C ATOM 2084 CE LYS A 130 8.524 19.056 0.151 1.00 0.00 C ATOM 2085 NZ LYS A 130 7.940 20.414 0.217 1.00 0.00 N ATOM 0 H LYS A 130 12.949 18.038 4.573 1.00 0.00 H new ATOM 0 HA LYS A 130 13.133 16.853 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 130 10.921 16.782 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 130 10.757 18.525 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 130 11.216 17.337 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 130 9.674 16.987 1.165 1.00 0.00 H new ATOM 0 HD2 LYS A 130 10.032 19.740 1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 130 10.626 19.418 -0.098 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.512 18.702 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.912 18.366 0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.967 20.392 -0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 7.931 20.740 1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 8.511 21.066 -0.357 1.00 0.00 H new ATOM 2099 N GLU A 131 13.174 17.592 0.300 1.00 0.00 N ATOM 2100 CA GLU A 131 13.610 17.986 -1.085 1.00 0.00 C ATOM 2101 C GLU A 131 12.793 17.450 -2.224 1.00 0.00 C ATOM 2102 O GLU A 131 13.195 16.815 -3.194 1.00 0.00 O ATOM 2103 CB GLU A 131 15.142 17.845 -0.979 1.00 0.00 C ATOM 2104 CG GLU A 131 16.246 18.341 -1.926 1.00 0.00 C ATOM 2105 CD GLU A 131 15.925 19.664 -2.661 1.00 0.00 C ATOM 2106 OE1 GLU A 131 15.565 20.655 -1.922 1.00 0.00 O ATOM 2107 OE2 GLU A 131 16.022 19.744 -3.944 1.00 0.00 O ATOM 2108 OXT GLU A 131 12.226 18.870 -1.896 1.00 0.00 O ATOM 0 H GLU A 131 12.973 16.601 0.430 1.00 0.00 H new ATOM 0 HA GLU A 131 13.383 19.000 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 131 15.392 18.284 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 131 15.314 16.772 -0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 131 17.164 18.474 -1.353 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.443 17.568 -2.669 1.00 0.00 H new