USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 834 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= -2.36 X(o=-2.4,f=-2) USER MOD Set 1.2: A 99 GLN : amide:sc= 0 X(o=-2.4,f=-2.4) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= -0.175 USER MOD Set 2.2: A 67 GLN : amide:sc= -0.891 X(o=-1.1,f=-1.1) USER MOD Set 3.1: A 57 ASN : amide:sc= -0.421 K(o=-0.49,f=-8.4!) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -0.064 F(o=-6.5!,f=-0.49) USER MOD Set 4.1: A 30 HIS : no HE2:sc= -1.4 K(o=-0.89,f=-10!) USER MOD Set 4.2: A 42 THR OG1 : rot -120:sc= 0.514 USER MOD Set 5.1: A 35 LYS NZ :NH3+ 151:sc= -0.0293 (180deg=-0.414) USER MOD Set 5.2: A 36 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.107) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 82:sc= 1.34 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.5!) USER MOD Single : A 18 THR OG1 : rot -30:sc= 0.565 USER MOD Single : A 19 THR OG1 : rot 87:sc= 1.29 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 157:sc= 0 (180deg=-0.832) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0.055) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 37 TYR OH : rot 172:sc= -0.842 USER MOD Single : A 39 ASN : amide:sc= -1.65! C(o=-1.7!,f=-2.5!) USER MOD Single : A 40 CYS SG : rot -133:sc= -4.83! USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.3) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0629 USER MOD Single : A 68 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.4) USER MOD Single : A 69 THR OG1 : rot -100:sc= -0.175 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0262) USER MOD Single : A 79 ASN : amide:sc= 0.264 X(o=0.26,f=-0.12) USER MOD Single : A 80 HIS : no HD1:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 86 LYS NZ :NH3+ -119:sc= -3.09! (180deg=-6.29!) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00355 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.115 -8.692 -2.457 1.00 0.00 N ATOM 2 CA GLY A 1 23.625 -7.811 -3.502 1.00 0.00 C ATOM 3 C GLY A 1 23.685 -6.350 -3.103 1.00 0.00 C ATOM 4 O GLY A 1 23.195 -5.969 -2.040 1.00 0.00 O ATOM 0 H1 GLY A 1 24.053 -9.679 -2.778 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.106 -8.459 -2.243 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.537 -8.570 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.214 -7.962 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.596 -8.077 -3.744 1.00 0.00 H new ATOM 8 N SER A 2 24.289 -5.529 -3.956 1.00 0.00 N ATOM 9 CA SER A 2 24.417 -4.102 -3.685 1.00 0.00 C ATOM 10 C SER A 2 23.782 -3.278 -4.801 1.00 0.00 C ATOM 11 O SER A 2 24.164 -3.392 -5.966 1.00 0.00 O ATOM 12 CB SER A 2 25.890 -3.721 -3.528 1.00 0.00 C ATOM 13 OG SER A 2 26.035 -2.570 -2.714 1.00 0.00 O ATOM 0 H SER A 2 24.698 -5.828 -4.841 1.00 0.00 H new ATOM 0 HA SER A 2 23.893 -3.886 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.439 -4.553 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.327 -3.534 -4.509 1.00 0.00 H new ATOM 0 HG SER A 2 26.986 -2.348 -2.628 1.00 0.00 H new ATOM 19 N SER A 3 22.811 -2.447 -4.436 1.00 0.00 N ATOM 20 CA SER A 3 22.120 -1.606 -5.406 1.00 0.00 C ATOM 21 C SER A 3 22.420 -0.131 -5.157 1.00 0.00 C ATOM 22 O SER A 3 22.608 0.293 -4.017 1.00 0.00 O ATOM 23 CB SER A 3 20.611 -1.849 -5.340 1.00 0.00 C ATOM 24 OG SER A 3 19.943 -1.204 -6.411 1.00 0.00 O ATOM 0 H SER A 3 22.485 -2.338 -3.476 1.00 0.00 H new ATOM 0 HA SER A 3 22.480 -1.870 -6.400 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.410 -2.920 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.222 -1.482 -4.390 1.00 0.00 H new ATOM 0 HG SER A 3 18.980 -1.376 -6.347 1.00 0.00 H new ATOM 30 N GLY A 4 22.464 0.648 -6.234 1.00 0.00 N ATOM 31 CA GLY A 4 22.742 2.067 -6.113 1.00 0.00 C ATOM 32 C GLY A 4 24.142 2.342 -5.600 1.00 0.00 C ATOM 33 O GLY A 4 24.513 1.890 -4.517 1.00 0.00 O ATOM 0 H GLY A 4 22.312 0.321 -7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.615 2.543 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.016 2.520 -5.438 1.00 0.00 H new ATOM 37 N SER A 5 24.921 3.084 -6.380 1.00 0.00 N ATOM 38 CA SER A 5 26.290 3.413 -6.001 1.00 0.00 C ATOM 39 C SER A 5 26.309 4.390 -4.829 1.00 0.00 C ATOM 40 O SER A 5 27.002 4.171 -3.836 1.00 0.00 O ATOM 41 CB SER A 5 27.041 4.013 -7.192 1.00 0.00 C ATOM 42 OG SER A 5 27.414 3.007 -8.118 1.00 0.00 O ATOM 0 H SER A 5 24.628 3.469 -7.278 1.00 0.00 H new ATOM 0 HA SER A 5 26.787 2.493 -5.693 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.412 4.753 -7.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.930 4.535 -6.840 1.00 0.00 H new ATOM 0 HG SER A 5 27.891 3.416 -8.870 1.00 0.00 H new ATOM 48 N SER A 6 25.543 5.469 -4.954 1.00 0.00 N ATOM 49 CA SER A 6 25.474 6.483 -3.908 1.00 0.00 C ATOM 50 C SER A 6 24.027 6.874 -3.625 1.00 0.00 C ATOM 51 O SER A 6 23.345 7.437 -4.481 1.00 0.00 O ATOM 52 CB SER A 6 26.278 7.720 -4.313 1.00 0.00 C ATOM 53 OG SER A 6 26.055 8.791 -3.412 1.00 0.00 O ATOM 0 H SER A 6 24.961 5.664 -5.769 1.00 0.00 H new ATOM 0 HA SER A 6 25.903 6.061 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.340 7.476 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.999 8.025 -5.322 1.00 0.00 H new ATOM 0 HG SER A 6 26.581 9.569 -3.692 1.00 0.00 H new ATOM 59 N GLY A 7 23.564 6.569 -2.417 1.00 0.00 N ATOM 60 CA GLY A 7 22.200 6.895 -2.041 1.00 0.00 C ATOM 61 C GLY A 7 21.529 5.778 -1.268 1.00 0.00 C ATOM 62 O GLY A 7 20.358 5.473 -1.494 1.00 0.00 O ATOM 0 H GLY A 7 24.109 6.102 -1.692 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.200 7.802 -1.436 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.621 7.110 -2.939 1.00 0.00 H new ATOM 66 N TYR A 8 22.272 5.164 -0.353 1.00 0.00 N ATOM 67 CA TYR A 8 21.743 4.071 0.453 1.00 0.00 C ATOM 68 C TYR A 8 20.738 4.587 1.478 1.00 0.00 C ATOM 69 O TYR A 8 19.641 4.046 1.615 1.00 0.00 O ATOM 70 CB TYR A 8 22.881 3.336 1.164 1.00 0.00 C ATOM 71 CG TYR A 8 22.557 1.898 1.500 1.00 0.00 C ATOM 72 CD1 TYR A 8 22.260 0.981 0.499 1.00 0.00 C ATOM 73 CD2 TYR A 8 22.547 1.457 2.817 1.00 0.00 C ATOM 74 CE1 TYR A 8 21.962 -0.334 0.801 1.00 0.00 C ATOM 75 CE2 TYR A 8 22.253 0.144 3.128 1.00 0.00 C ATOM 76 CZ TYR A 8 21.961 -0.748 2.117 1.00 0.00 C ATOM 77 OH TYR A 8 21.665 -2.057 2.423 1.00 0.00 O ATOM 0 H TYR A 8 23.242 5.405 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 8 21.231 3.377 -0.214 1.00 0.00 H new ATOM 0 HB2 TYR A 8 23.769 3.361 0.532 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.128 3.868 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 8 22.262 1.302 -0.532 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.773 2.153 3.611 1.00 0.00 H new ATOM 0 HE1 TYR A 8 21.731 -1.034 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 8 22.252 -0.183 4.157 1.00 0.00 H new ATOM 0 HH TYR A 8 21.709 -2.184 3.394 1.00 0.00 H new ATOM 87 N ARG A 9 21.121 5.638 2.196 1.00 0.00 N ATOM 88 CA ARG A 9 20.255 6.228 3.209 1.00 0.00 C ATOM 89 C ARG A 9 18.819 6.330 2.704 1.00 0.00 C ATOM 90 O ARG A 9 17.873 6.011 3.424 1.00 0.00 O ATOM 91 CB ARG A 9 20.768 7.614 3.604 1.00 0.00 C ATOM 92 CG ARG A 9 20.207 8.117 4.924 1.00 0.00 C ATOM 93 CD ARG A 9 21.069 7.680 6.098 1.00 0.00 C ATOM 94 NE ARG A 9 20.659 6.382 6.625 1.00 0.00 N ATOM 95 CZ ARG A 9 20.943 5.964 7.854 1.00 0.00 C ATOM 96 NH1 ARG A 9 21.635 6.739 8.678 1.00 0.00 N ATOM 97 NH2 ARG A 9 20.534 4.769 8.260 1.00 0.00 N ATOM 0 H ARG A 9 22.026 6.098 2.095 1.00 0.00 H new ATOM 0 HA ARG A 9 20.268 5.580 4.085 1.00 0.00 H new ATOM 0 HB2 ARG A 9 21.856 7.585 3.669 1.00 0.00 H new ATOM 0 HB3 ARG A 9 20.514 8.324 2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.144 9.205 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 9 19.192 7.741 5.056 1.00 0.00 H new ATOM 0 HD2 ARG A 9 22.111 7.631 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 9 21.010 8.427 6.889 1.00 0.00 H new ATOM 0 HE ARG A 9 20.125 5.762 6.016 1.00 0.00 H new ATOM 0 HH11 ARG A 9 21.951 7.658 8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.852 6.416 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 9 20.001 4.171 7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 9 20.752 4.449 9.203 1.00 0.00 H new ATOM 111 N ALA A 10 18.664 6.777 1.462 1.00 0.00 N ATOM 112 CA ALA A 10 17.344 6.920 0.861 1.00 0.00 C ATOM 113 C ALA A 10 16.780 5.565 0.447 1.00 0.00 C ATOM 114 O ALA A 10 15.617 5.257 0.711 1.00 0.00 O ATOM 115 CB ALA A 10 17.408 7.855 -0.337 1.00 0.00 C ATOM 0 H ALA A 10 19.436 7.046 0.853 1.00 0.00 H new ATOM 0 HA ALA A 10 16.676 7.350 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.415 7.952 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.760 8.835 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 10 18.095 7.448 -1.080 1.00 0.00 H new ATOM 121 N THR A 11 17.611 4.757 -0.205 1.00 0.00 N ATOM 122 CA THR A 11 17.195 3.436 -0.658 1.00 0.00 C ATOM 123 C THR A 11 16.604 2.623 0.489 1.00 0.00 C ATOM 124 O THR A 11 15.473 2.143 0.406 1.00 0.00 O ATOM 125 CB THR A 11 18.372 2.656 -1.272 1.00 0.00 C ATOM 126 OG1 THR A 11 18.907 3.375 -2.388 1.00 0.00 O ATOM 127 CG2 THR A 11 17.929 1.271 -1.719 1.00 0.00 C ATOM 0 H THR A 11 18.577 4.995 -0.431 1.00 0.00 H new ATOM 0 HA THR A 11 16.433 3.589 -1.422 1.00 0.00 H new ATOM 0 HB THR A 11 19.143 2.545 -0.509 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.521 4.068 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.777 0.739 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.550 0.716 -0.861 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.142 1.365 -2.467 1.00 0.00 H new ATOM 135 N LYS A 12 17.376 2.471 1.560 1.00 0.00 N ATOM 136 CA LYS A 12 16.930 1.718 2.725 1.00 0.00 C ATOM 137 C LYS A 12 15.515 2.123 3.125 1.00 0.00 C ATOM 138 O LYS A 12 14.664 1.271 3.387 1.00 0.00 O ATOM 139 CB LYS A 12 17.886 1.940 3.899 1.00 0.00 C ATOM 140 CG LYS A 12 17.467 1.222 5.170 1.00 0.00 C ATOM 141 CD LYS A 12 18.407 1.532 6.322 1.00 0.00 C ATOM 142 CE LYS A 12 19.694 0.728 6.224 1.00 0.00 C ATOM 143 NZ LYS A 12 20.730 1.220 7.174 1.00 0.00 N ATOM 0 H LYS A 12 18.315 2.860 1.645 1.00 0.00 H new ATOM 0 HA LYS A 12 16.926 0.660 2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.883 1.603 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.956 3.009 4.102 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.452 1.517 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.450 0.147 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.641 2.597 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.911 1.312 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.483 -0.322 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.080 0.783 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 21.592 0.646 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.951 2.214 6.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 20.372 1.144 8.148 1.00 0.00 H new ATOM 157 N LEU A 13 15.268 3.427 3.169 1.00 0.00 N ATOM 158 CA LEU A 13 13.954 3.946 3.536 1.00 0.00 C ATOM 159 C LEU A 13 12.861 3.314 2.680 1.00 0.00 C ATOM 160 O LEU A 13 11.924 2.709 3.199 1.00 0.00 O ATOM 161 CB LEU A 13 13.923 5.467 3.383 1.00 0.00 C ATOM 162 CG LEU A 13 12.687 6.173 3.940 1.00 0.00 C ATOM 163 CD1 LEU A 13 12.608 6.002 5.449 1.00 0.00 C ATOM 164 CD2 LEU A 13 12.703 7.649 3.569 1.00 0.00 C ATOM 0 H LEU A 13 15.960 4.145 2.955 1.00 0.00 H new ATOM 0 HA LEU A 13 13.767 3.689 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 13 14.804 5.879 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 13 14.007 5.707 2.323 1.00 0.00 H new ATOM 0 HG LEU A 13 11.802 5.717 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.722 6.511 5.827 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.548 4.941 5.692 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.497 6.431 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.816 8.136 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 13.595 8.119 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.710 7.751 2.484 1.00 0.00 H new ATOM 176 N TRP A 14 12.990 3.458 1.366 1.00 0.00 N ATOM 177 CA TRP A 14 12.014 2.900 0.437 1.00 0.00 C ATOM 178 C TRP A 14 11.763 1.425 0.732 1.00 0.00 C ATOM 179 O TRP A 14 10.625 1.013 0.957 1.00 0.00 O ATOM 180 CB TRP A 14 12.497 3.069 -1.005 1.00 0.00 C ATOM 181 CG TRP A 14 11.865 2.102 -1.960 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.314 0.852 -2.279 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.670 2.307 -2.722 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.471 0.268 -3.193 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.454 1.140 -3.480 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.761 3.362 -2.835 1.00 0.00 C ATOM 187 CZ2 TRP A 14 9.367 1.001 -4.339 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.683 3.223 -3.689 1.00 0.00 C ATOM 189 CH2 TRP A 14 8.492 2.050 -4.431 1.00 0.00 C ATOM 0 H TRP A 14 13.760 3.956 0.920 1.00 0.00 H new ATOM 0 HA TRP A 14 11.077 3.442 0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.285 4.086 -1.335 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.579 2.944 -1.035 1.00 0.00 H new ATOM 0 HD1 TRP A 14 13.202 0.390 -1.872 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.584 -0.663 -3.593 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.898 4.269 -2.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 9.219 0.098 -4.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.975 4.033 -3.786 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.638 1.972 -5.088 1.00 0.00 H new ATOM 200 N ASN A 15 12.831 0.635 0.731 1.00 0.00 N ATOM 201 CA ASN A 15 12.725 -0.794 0.999 1.00 0.00 C ATOM 202 C ASN A 15 12.028 -1.048 2.333 1.00 0.00 C ATOM 203 O ASN A 15 11.186 -1.937 2.444 1.00 0.00 O ATOM 204 CB ASN A 15 14.113 -1.438 1.006 1.00 0.00 C ATOM 205 CG ASN A 15 14.555 -1.875 -0.378 1.00 0.00 C ATOM 206 OD1 ASN A 15 13.786 -1.806 -1.337 1.00 0.00 O ATOM 207 ND2 ASN A 15 15.798 -2.328 -0.486 1.00 0.00 N ATOM 0 H ASN A 15 13.780 0.960 0.548 1.00 0.00 H new ATOM 0 HA ASN A 15 12.127 -1.243 0.206 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.837 -0.730 1.409 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.107 -2.301 1.672 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.151 -2.637 -1.392 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.400 -2.367 0.337 1.00 0.00 H new ATOM 214 N GLU A 16 12.387 -0.258 3.340 1.00 0.00 N ATOM 215 CA GLU A 16 11.796 -0.398 4.666 1.00 0.00 C ATOM 216 C GLU A 16 10.279 -0.241 4.605 1.00 0.00 C ATOM 217 O GLU A 16 9.537 -1.060 5.147 1.00 0.00 O ATOM 218 CB GLU A 16 12.388 0.638 5.624 1.00 0.00 C ATOM 219 CG GLU A 16 13.667 0.177 6.304 1.00 0.00 C ATOM 220 CD GLU A 16 13.401 -0.670 7.533 1.00 0.00 C ATOM 221 OE1 GLU A 16 12.480 -0.327 8.303 1.00 0.00 O ATOM 222 OE2 GLU A 16 14.115 -1.677 7.725 1.00 0.00 O ATOM 0 H GLU A 16 13.083 0.484 3.263 1.00 0.00 H new ATOM 0 HA GLU A 16 12.026 -1.398 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.590 1.556 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.648 0.880 6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.265 -0.396 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.257 1.048 6.588 1.00 0.00 H new ATOM 229 N VAL A 17 9.826 0.818 3.942 1.00 0.00 N ATOM 230 CA VAL A 17 8.398 1.083 3.809 1.00 0.00 C ATOM 231 C VAL A 17 7.693 -0.057 3.081 1.00 0.00 C ATOM 232 O VAL A 17 6.798 -0.700 3.630 1.00 0.00 O ATOM 233 CB VAL A 17 8.140 2.399 3.051 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.647 2.662 2.932 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.840 3.558 3.744 1.00 0.00 C ATOM 0 H VAL A 17 10.427 1.506 3.489 1.00 0.00 H new ATOM 0 HA VAL A 17 7.996 1.169 4.819 1.00 0.00 H new ATOM 0 HB VAL A 17 8.550 2.306 2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.484 3.596 2.394 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.175 1.843 2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.210 2.736 3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.647 4.480 3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.462 3.655 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.913 3.370 3.772 1.00 0.00 H new ATOM 245 N THR A 18 8.104 -0.303 1.841 1.00 0.00 N ATOM 246 CA THR A 18 7.511 -1.364 1.036 1.00 0.00 C ATOM 247 C THR A 18 7.344 -2.642 1.850 1.00 0.00 C ATOM 248 O THR A 18 6.301 -3.294 1.795 1.00 0.00 O ATOM 249 CB THR A 18 8.366 -1.669 -0.208 1.00 0.00 C ATOM 250 OG1 THR A 18 9.665 -2.124 0.189 1.00 0.00 O ATOM 251 CG2 THR A 18 8.502 -0.435 -1.087 1.00 0.00 C ATOM 0 H THR A 18 8.845 0.218 1.372 1.00 0.00 H new ATOM 0 HA THR A 18 6.531 -1.009 0.716 1.00 0.00 H new ATOM 0 HB THR A 18 7.868 -2.451 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.904 -1.720 1.049 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.110 -0.675 -1.959 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.514 -0.109 -1.412 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.980 0.364 -0.521 1.00 0.00 H new ATOM 259 N THR A 19 8.379 -2.997 2.606 1.00 0.00 N ATOM 260 CA THR A 19 8.347 -4.197 3.432 1.00 0.00 C ATOM 261 C THR A 19 7.143 -4.190 4.366 1.00 0.00 C ATOM 262 O THR A 19 6.308 -5.095 4.326 1.00 0.00 O ATOM 263 CB THR A 19 9.632 -4.338 4.269 1.00 0.00 C ATOM 264 OG1 THR A 19 10.773 -4.412 3.407 1.00 0.00 O ATOM 265 CG2 THR A 19 9.572 -5.579 5.147 1.00 0.00 C ATOM 0 H THR A 19 9.250 -2.470 2.663 1.00 0.00 H new ATOM 0 HA THR A 19 8.271 -5.046 2.753 1.00 0.00 H new ATOM 0 HB THR A 19 9.719 -3.462 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.084 -3.507 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.490 -5.658 5.729 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.720 -5.506 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.463 -6.464 4.520 1.00 0.00 H new ATOM 273 N SER A 20 7.058 -3.164 5.207 1.00 0.00 N ATOM 274 CA SER A 20 5.956 -3.041 6.154 1.00 0.00 C ATOM 275 C SER A 20 4.615 -3.008 5.427 1.00 0.00 C ATOM 276 O SER A 20 3.649 -3.640 5.854 1.00 0.00 O ATOM 277 CB SER A 20 6.122 -1.777 7.000 1.00 0.00 C ATOM 278 OG SER A 20 6.913 -2.031 8.147 1.00 0.00 O ATOM 0 H SER A 20 7.739 -2.406 5.252 1.00 0.00 H new ATOM 0 HA SER A 20 5.973 -3.913 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.586 -0.993 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.142 -1.408 7.304 1.00 0.00 H new ATOM 0 HG SER A 20 7.005 -1.207 8.670 1.00 0.00 H new ATOM 284 N PHE A 21 4.565 -2.266 4.326 1.00 0.00 N ATOM 285 CA PHE A 21 3.343 -2.148 3.538 1.00 0.00 C ATOM 286 C PHE A 21 2.816 -3.524 3.143 1.00 0.00 C ATOM 287 O PHE A 21 1.657 -3.854 3.397 1.00 0.00 O ATOM 288 CB PHE A 21 3.597 -1.308 2.285 1.00 0.00 C ATOM 289 CG PHE A 21 2.552 -1.486 1.221 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.620 -2.550 0.337 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.502 -0.590 1.106 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.660 -2.718 -0.643 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.539 -0.753 0.128 1.00 0.00 C ATOM 294 CZ PHE A 21 0.619 -1.817 -0.748 1.00 0.00 C ATOM 0 H PHE A 21 5.356 -1.737 3.959 1.00 0.00 H new ATOM 0 HA PHE A 21 2.591 -1.653 4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.642 -0.256 2.566 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.572 -1.570 1.873 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.433 -3.257 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.435 0.245 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.724 -3.553 -1.325 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.276 -0.048 0.049 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.131 -1.944 -1.514 1.00 0.00 H new ATOM 304 N ARG A 22 3.676 -4.323 2.519 1.00 0.00 N ATOM 305 CA ARG A 22 3.297 -5.663 2.087 1.00 0.00 C ATOM 306 C ARG A 22 2.370 -6.322 3.104 1.00 0.00 C ATOM 307 O ARG A 22 1.246 -6.704 2.779 1.00 0.00 O ATOM 308 CB ARG A 22 4.543 -6.527 1.882 1.00 0.00 C ATOM 309 CG ARG A 22 4.231 -7.972 1.528 1.00 0.00 C ATOM 310 CD ARG A 22 5.387 -8.626 0.788 1.00 0.00 C ATOM 311 NE ARG A 22 5.458 -10.062 1.043 1.00 0.00 N ATOM 312 CZ ARG A 22 6.557 -10.787 0.866 1.00 0.00 C ATOM 313 NH1 ARG A 22 7.671 -10.213 0.435 1.00 0.00 N ATOM 314 NH2 ARG A 22 6.543 -12.089 1.120 1.00 0.00 N ATOM 0 H ARG A 22 4.639 -4.066 2.302 1.00 0.00 H new ATOM 0 HA ARG A 22 2.764 -5.574 1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.151 -6.091 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.143 -6.506 2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 22 4.016 -8.532 2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.334 -8.011 0.910 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.276 -8.453 -0.282 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.323 -8.157 1.091 1.00 0.00 H new ATOM 0 HE ARG A 22 4.617 -10.535 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.686 -9.212 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.513 -10.772 0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.688 -12.535 1.452 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.388 -12.644 0.984 1.00 0.00 H new ATOM 328 N ALA A 23 2.849 -6.451 4.337 1.00 0.00 N ATOM 329 CA ALA A 23 2.064 -7.062 5.402 1.00 0.00 C ATOM 330 C ALA A 23 0.942 -6.134 5.857 1.00 0.00 C ATOM 331 O ALA A 23 -0.237 -6.452 5.710 1.00 0.00 O ATOM 332 CB ALA A 23 2.959 -7.426 6.576 1.00 0.00 C ATOM 0 H ALA A 23 3.778 -6.140 4.623 1.00 0.00 H new ATOM 0 HA ALA A 23 1.611 -7.973 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.359 -7.881 7.364 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.722 -8.132 6.247 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.439 -6.526 6.960 1.00 0.00 H new ATOM 338 N GLY A 24 1.318 -4.986 6.412 1.00 0.00 N ATOM 339 CA GLY A 24 0.332 -4.030 6.881 1.00 0.00 C ATOM 340 C GLY A 24 -0.908 -4.703 7.436 1.00 0.00 C ATOM 341 O GLY A 24 -0.828 -5.784 8.019 1.00 0.00 O ATOM 0 H GLY A 24 2.288 -4.701 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.777 -3.402 7.653 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.048 -3.372 6.059 1.00 0.00 H new ATOM 345 N MET A 25 -2.058 -4.061 7.257 1.00 0.00 N ATOM 346 CA MET A 25 -3.320 -4.604 7.746 1.00 0.00 C ATOM 347 C MET A 25 -3.764 -5.793 6.900 1.00 0.00 C ATOM 348 O MET A 25 -3.388 -5.931 5.735 1.00 0.00 O ATOM 349 CB MET A 25 -4.403 -3.523 7.736 1.00 0.00 C ATOM 350 CG MET A 25 -4.220 -2.470 8.817 1.00 0.00 C ATOM 351 SD MET A 25 -5.785 -1.771 9.378 1.00 0.00 S ATOM 352 CE MET A 25 -6.388 -3.090 10.427 1.00 0.00 C ATOM 0 H MET A 25 -2.142 -3.165 6.777 1.00 0.00 H new ATOM 0 HA MET A 25 -3.168 -4.946 8.770 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.408 -3.035 6.762 1.00 0.00 H new ATOM 0 HB3 MET A 25 -5.377 -3.995 7.861 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.699 -2.913 9.666 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.585 -1.670 8.436 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.098 -2.686 11.148 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.882 -3.845 9.815 1.00 0.00 H new ATOM 0 HE3 MET A 25 -5.551 -3.544 10.958 1.00 0.00 H new ATOM 362 N PRO A 26 -4.583 -6.672 7.496 1.00 0.00 N ATOM 363 CA PRO A 26 -5.096 -7.864 6.814 1.00 0.00 C ATOM 364 C PRO A 26 -6.102 -7.519 5.722 1.00 0.00 C ATOM 365 O PRO A 26 -6.343 -6.346 5.432 1.00 0.00 O ATOM 366 CB PRO A 26 -5.776 -8.650 7.938 1.00 0.00 C ATOM 367 CG PRO A 26 -6.144 -7.621 8.951 1.00 0.00 C ATOM 368 CD PRO A 26 -5.072 -6.569 8.881 1.00 0.00 C ATOM 0 HA PRO A 26 -4.305 -8.416 6.307 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.656 -9.180 7.574 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.105 -9.398 8.360 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.124 -7.195 8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.198 -8.057 9.948 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -5.469 -5.576 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -4.277 -6.757 9.603 1.00 0.00 H new ATOM 376 N LEU A 27 -6.688 -8.547 5.117 1.00 0.00 N ATOM 377 CA LEU A 27 -7.669 -8.353 4.056 1.00 0.00 C ATOM 378 C LEU A 27 -8.961 -7.760 4.610 1.00 0.00 C ATOM 379 O LEU A 27 -9.237 -7.857 5.806 1.00 0.00 O ATOM 380 CB LEU A 27 -7.964 -9.682 3.357 1.00 0.00 C ATOM 381 CG LEU A 27 -6.917 -10.155 2.348 1.00 0.00 C ATOM 382 CD1 LEU A 27 -6.829 -9.189 1.177 1.00 0.00 C ATOM 383 CD2 LEU A 27 -5.560 -10.308 3.019 1.00 0.00 C ATOM 0 H LEU A 27 -6.500 -9.524 5.344 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.250 -7.654 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.080 -10.453 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.922 -9.595 2.843 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.223 -11.129 1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.079 -9.542 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.797 -9.130 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.548 -8.201 1.541 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.827 -10.645 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.247 -9.348 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.632 -11.040 3.823 1.00 0.00 H new ATOM 395 N ARG A 28 -9.749 -7.148 3.732 1.00 0.00 N ATOM 396 CA ARG A 28 -11.012 -6.540 4.134 1.00 0.00 C ATOM 397 C ARG A 28 -12.005 -6.533 2.975 1.00 0.00 C ATOM 398 O ARG A 28 -11.673 -6.127 1.861 1.00 0.00 O ATOM 399 CB ARG A 28 -10.780 -5.111 4.629 1.00 0.00 C ATOM 400 CG ARG A 28 -12.062 -4.370 4.973 1.00 0.00 C ATOM 401 CD ARG A 28 -11.781 -3.122 5.795 1.00 0.00 C ATOM 402 NE ARG A 28 -11.612 -3.428 7.213 1.00 0.00 N ATOM 403 CZ ARG A 28 -12.624 -3.535 8.067 1.00 0.00 C ATOM 404 NH1 ARG A 28 -13.870 -3.362 7.649 1.00 0.00 N ATOM 405 NH2 ARG A 28 -12.390 -3.815 9.343 1.00 0.00 N ATOM 0 H ARG A 28 -9.535 -7.060 2.738 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.431 -7.135 4.946 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.140 -5.140 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.242 -4.553 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.581 -4.093 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.727 -5.031 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.881 -2.635 5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.601 -2.414 5.672 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.666 -3.567 7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.054 -3.146 6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.645 -3.445 8.307 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.433 -3.948 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.168 -3.897 9.998 1.00 0.00 H new ATOM 419 N LYS A 29 -13.224 -6.986 3.245 1.00 0.00 N ATOM 420 CA LYS A 29 -14.267 -7.032 2.226 1.00 0.00 C ATOM 421 C LYS A 29 -15.045 -5.721 2.185 1.00 0.00 C ATOM 422 O LYS A 29 -15.579 -5.272 3.199 1.00 0.00 O ATOM 423 CB LYS A 29 -15.222 -8.197 2.497 1.00 0.00 C ATOM 424 CG LYS A 29 -16.458 -8.188 1.614 1.00 0.00 C ATOM 425 CD LYS A 29 -17.651 -8.811 2.319 1.00 0.00 C ATOM 426 CE LYS A 29 -18.736 -9.210 1.330 1.00 0.00 C ATOM 427 NZ LYS A 29 -20.082 -9.239 1.965 1.00 0.00 N ATOM 0 H LYS A 29 -13.515 -7.327 4.161 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.789 -7.180 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.688 -9.136 2.350 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.532 -8.167 3.542 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.696 -7.163 1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -16.252 -8.734 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -17.327 -9.688 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -18.058 -8.104 3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -18.743 -8.508 0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -18.508 -10.193 0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -20.793 -9.515 1.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.083 -9.927 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -20.311 -8.295 2.336 1.00 0.00 H new ATOM 441 N HIS A 30 -15.107 -5.112 1.005 1.00 0.00 N ATOM 442 CA HIS A 30 -15.822 -3.853 0.831 1.00 0.00 C ATOM 443 C HIS A 30 -17.271 -4.103 0.422 1.00 0.00 C ATOM 444 O HIS A 30 -18.200 -3.765 1.154 1.00 0.00 O ATOM 445 CB HIS A 30 -15.126 -2.987 -0.219 1.00 0.00 C ATOM 446 CG HIS A 30 -13.905 -2.288 0.295 1.00 0.00 C ATOM 447 ND1 HIS A 30 -13.931 -1.012 0.816 1.00 0.00 N ATOM 448 CD2 HIS A 30 -12.616 -2.696 0.368 1.00 0.00 C ATOM 449 CE1 HIS A 30 -12.712 -0.664 1.185 1.00 0.00 C ATOM 450 NE2 HIS A 30 -11.895 -1.669 0.925 1.00 0.00 N ATOM 0 H HIS A 30 -14.671 -5.470 0.155 1.00 0.00 H new ATOM 0 HA HIS A 30 -15.818 -3.327 1.786 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -14.847 -3.613 -1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -15.831 -2.243 -0.590 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -14.763 -0.428 0.903 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.227 -3.651 0.048 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -12.431 0.281 1.625 1.00 0.00 H new ATOM 458 N ARG A 31 -17.454 -4.697 -0.753 1.00 0.00 N ATOM 459 CA ARG A 31 -18.789 -4.990 -1.260 1.00 0.00 C ATOM 460 C ARG A 31 -18.747 -6.126 -2.279 1.00 0.00 C ATOM 461 O ARG A 31 -18.373 -5.923 -3.433 1.00 0.00 O ATOM 462 CB ARG A 31 -19.401 -3.742 -1.898 1.00 0.00 C ATOM 463 CG ARG A 31 -20.919 -3.780 -1.978 1.00 0.00 C ATOM 464 CD ARG A 31 -21.456 -2.699 -2.902 1.00 0.00 C ATOM 465 NE ARG A 31 -21.211 -1.358 -2.376 1.00 0.00 N ATOM 466 CZ ARG A 31 -21.140 -0.272 -3.137 1.00 0.00 C ATOM 467 NH1 ARG A 31 -21.294 -0.367 -4.451 1.00 0.00 N ATOM 468 NH2 ARG A 31 -20.914 0.913 -2.585 1.00 0.00 N ATOM 0 H ARG A 31 -16.695 -4.984 -1.371 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.409 -5.301 -0.419 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -19.098 -2.866 -1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -18.996 -3.622 -2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.241 -4.758 -2.335 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -21.340 -3.650 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.989 -2.795 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -22.527 -2.843 -3.044 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.088 -1.250 -1.369 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.468 -1.276 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -21.239 0.469 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.795 0.991 -1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.860 1.746 -3.171 1.00 0.00 H new ATOM 482 N GLN A 32 -19.132 -7.321 -1.841 1.00 0.00 N ATOM 483 CA GLN A 32 -19.136 -8.488 -2.715 1.00 0.00 C ATOM 484 C GLN A 32 -20.105 -9.548 -2.202 1.00 0.00 C ATOM 485 O GLN A 32 -19.828 -10.233 -1.217 1.00 0.00 O ATOM 486 CB GLN A 32 -17.728 -9.077 -2.821 1.00 0.00 C ATOM 487 CG GLN A 32 -17.665 -10.361 -3.632 1.00 0.00 C ATOM 488 CD GLN A 32 -17.736 -10.112 -5.126 1.00 0.00 C ATOM 489 OE1 GLN A 32 -16.713 -9.922 -5.785 1.00 0.00 O ATOM 490 NE2 GLN A 32 -18.947 -10.112 -5.670 1.00 0.00 N ATOM 0 H GLN A 32 -19.445 -7.506 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.464 -8.169 -3.704 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.067 -8.338 -3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.348 -9.272 -1.818 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.740 -10.888 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -18.487 -11.013 -3.337 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.768 -10.274 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.056 -9.950 -6.671 1.00 0.00 H new ATOM 499 N HIS A 33 -21.243 -9.678 -2.877 1.00 0.00 N ATOM 500 CA HIS A 33 -22.254 -10.656 -2.489 1.00 0.00 C ATOM 501 C HIS A 33 -21.604 -11.921 -1.938 1.00 0.00 C ATOM 502 O HIS A 33 -21.741 -12.237 -0.756 1.00 0.00 O ATOM 503 CB HIS A 33 -23.142 -11.004 -3.684 1.00 0.00 C ATOM 504 CG HIS A 33 -24.212 -12.002 -3.365 1.00 0.00 C ATOM 505 ND1 HIS A 33 -24.418 -13.147 -4.105 1.00 0.00 N ATOM 506 CD2 HIS A 33 -25.137 -12.022 -2.378 1.00 0.00 C ATOM 507 CE1 HIS A 33 -25.425 -13.828 -3.587 1.00 0.00 C ATOM 508 NE2 HIS A 33 -25.879 -13.167 -2.538 1.00 0.00 N ATOM 0 H HIS A 33 -21.488 -9.119 -3.694 1.00 0.00 H new ATOM 0 HA HIS A 33 -22.869 -10.214 -1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -23.607 -10.092 -4.058 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -22.518 -11.396 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -25.268 -11.276 -1.608 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -25.811 -14.766 -3.958 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -26.654 -13.459 -1.943 1.00 0.00 H new ATOM 516 N PHE A 34 -20.895 -12.641 -2.801 1.00 0.00 N ATOM 517 CA PHE A 34 -20.225 -13.873 -2.401 1.00 0.00 C ATOM 518 C PHE A 34 -19.213 -13.605 -1.290 1.00 0.00 C ATOM 519 O PHE A 34 -19.027 -12.464 -0.866 1.00 0.00 O ATOM 520 CB PHE A 34 -19.524 -14.510 -3.602 1.00 0.00 C ATOM 521 CG PHE A 34 -19.213 -15.967 -3.410 1.00 0.00 C ATOM 522 CD1 PHE A 34 -20.222 -16.873 -3.125 1.00 0.00 C ATOM 523 CD2 PHE A 34 -17.911 -16.431 -3.516 1.00 0.00 C ATOM 524 CE1 PHE A 34 -19.938 -18.214 -2.948 1.00 0.00 C ATOM 525 CE2 PHE A 34 -17.621 -17.771 -3.340 1.00 0.00 C ATOM 526 CZ PHE A 34 -18.636 -18.663 -3.056 1.00 0.00 C ATOM 0 H PHE A 34 -20.770 -12.392 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 34 -20.980 -14.562 -2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.154 -14.394 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -18.597 -13.972 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -21.242 -16.527 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.114 -15.737 -3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -20.733 -18.910 -2.725 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -16.602 -18.120 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.412 -19.711 -2.918 1.00 0.00 H new ATOM 536 N LYS A 35 -18.563 -14.665 -0.823 1.00 0.00 N ATOM 537 CA LYS A 35 -17.569 -14.547 0.237 1.00 0.00 C ATOM 538 C LYS A 35 -16.531 -13.483 -0.105 1.00 0.00 C ATOM 539 O LYS A 35 -16.390 -13.089 -1.263 1.00 0.00 O ATOM 540 CB LYS A 35 -16.878 -15.893 0.469 1.00 0.00 C ATOM 541 CG LYS A 35 -16.412 -16.099 1.900 1.00 0.00 C ATOM 542 CD LYS A 35 -17.586 -16.302 2.844 1.00 0.00 C ATOM 543 CE LYS A 35 -17.189 -16.042 4.289 1.00 0.00 C ATOM 544 NZ LYS A 35 -16.928 -14.598 4.541 1.00 0.00 N ATOM 0 H LYS A 35 -18.707 -15.616 -1.162 1.00 0.00 H new ATOM 0 HA LYS A 35 -18.083 -14.247 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.565 -16.696 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.020 -15.971 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.751 -16.965 1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.830 -15.236 2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.400 -15.634 2.563 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.961 -17.321 2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.982 -16.389 4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.297 -16.620 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.143 -14.374 5.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.928 -14.387 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.530 -14.023 3.918 1.00 0.00 H new ATOM 558 N LYS A 36 -15.806 -13.023 0.908 1.00 0.00 N ATOM 559 CA LYS A 36 -14.778 -12.006 0.715 1.00 0.00 C ATOM 560 C LYS A 36 -13.814 -12.412 -0.395 1.00 0.00 C ATOM 561 O LYS A 36 -13.901 -13.515 -0.934 1.00 0.00 O ATOM 562 CB LYS A 36 -14.007 -11.777 2.017 1.00 0.00 C ATOM 563 CG LYS A 36 -14.902 -11.521 3.217 1.00 0.00 C ATOM 564 CD LYS A 36 -14.146 -10.832 4.340 1.00 0.00 C ATOM 565 CE LYS A 36 -14.849 -11.010 5.677 1.00 0.00 C ATOM 566 NZ LYS A 36 -14.693 -12.394 6.206 1.00 0.00 N ATOM 0 H LYS A 36 -15.911 -13.338 1.872 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.270 -11.078 0.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.384 -12.648 2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -13.336 -10.928 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.749 -10.904 2.915 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.308 -12.466 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.136 -11.237 4.402 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.050 -9.769 4.117 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.445 -10.298 6.397 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.909 -10.782 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.610 -12.737 6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.357 -13.020 5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.003 -12.393 6.984 1.00 0.00 H new ATOM 580 N TYR A 37 -12.894 -11.514 -0.730 1.00 0.00 N ATOM 581 CA TYR A 37 -11.914 -11.779 -1.776 1.00 0.00 C ATOM 582 C TYR A 37 -10.685 -12.482 -1.207 1.00 0.00 C ATOM 583 O TYR A 37 -10.562 -12.657 0.005 1.00 0.00 O ATOM 584 CB TYR A 37 -11.498 -10.473 -2.457 1.00 0.00 C ATOM 585 CG TYR A 37 -12.614 -9.458 -2.553 1.00 0.00 C ATOM 586 CD1 TYR A 37 -12.976 -8.688 -1.455 1.00 0.00 C ATOM 587 CD2 TYR A 37 -13.307 -9.269 -3.742 1.00 0.00 C ATOM 588 CE1 TYR A 37 -13.996 -7.760 -1.538 1.00 0.00 C ATOM 589 CE2 TYR A 37 -14.328 -8.343 -3.835 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.669 -7.591 -2.730 1.00 0.00 C ATOM 591 OH TYR A 37 -15.684 -6.667 -2.817 1.00 0.00 O ATOM 0 H TYR A 37 -12.807 -10.597 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.377 -12.435 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -10.666 -10.035 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.134 -10.696 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.451 -8.817 -0.520 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.043 -9.856 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.265 -7.170 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -14.856 -8.209 -4.767 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.968 -6.580 -3.751 1.00 0.00 H new ATOM 601 N GLY A 38 -9.777 -12.883 -2.092 1.00 0.00 N ATOM 602 CA GLY A 38 -8.570 -13.562 -1.660 1.00 0.00 C ATOM 603 C GLY A 38 -7.680 -12.678 -0.808 1.00 0.00 C ATOM 604 O GLY A 38 -7.991 -12.406 0.351 1.00 0.00 O ATOM 0 H GLY A 38 -9.856 -12.750 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.841 -14.453 -1.093 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.013 -13.898 -2.535 1.00 0.00 H new ATOM 608 N ASN A 39 -6.570 -12.229 -1.384 1.00 0.00 N ATOM 609 CA ASN A 39 -5.631 -11.372 -0.670 1.00 0.00 C ATOM 610 C ASN A 39 -5.576 -9.982 -1.298 1.00 0.00 C ATOM 611 O ASN A 39 -4.633 -9.224 -1.069 1.00 0.00 O ATOM 612 CB ASN A 39 -4.235 -11.999 -0.668 1.00 0.00 C ATOM 613 CG ASN A 39 -3.403 -11.555 0.520 1.00 0.00 C ATOM 614 OD1 ASN A 39 -3.294 -12.270 1.516 1.00 0.00 O ATOM 615 ND2 ASN A 39 -2.812 -10.370 0.418 1.00 0.00 N ATOM 0 H ASN A 39 -6.299 -12.444 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.979 -11.273 0.358 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.328 -13.085 -0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.718 -11.732 -1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.239 -10.018 1.185 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.931 -9.812 -0.427 1.00 0.00 H new ATOM 622 N CYS A 40 -6.592 -9.657 -2.089 1.00 0.00 N ATOM 623 CA CYS A 40 -6.660 -8.358 -2.751 1.00 0.00 C ATOM 624 C CYS A 40 -7.311 -7.319 -1.844 1.00 0.00 C ATOM 625 O CYS A 40 -8.026 -7.663 -0.902 1.00 0.00 O ATOM 626 CB CYS A 40 -7.440 -8.471 -4.061 1.00 0.00 C ATOM 627 SG CYS A 40 -9.214 -8.741 -3.843 1.00 0.00 S ATOM 0 H CYS A 40 -7.380 -10.274 -2.288 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.642 -8.035 -2.970 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.291 -7.560 -4.640 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -7.028 -9.292 -4.647 1.00 0.00 H new ATOM 0 HG CYS A 40 -9.606 -9.702 -4.625 1.00 0.00 H new ATOM 633 N PHE A 41 -7.059 -6.047 -2.134 1.00 0.00 N ATOM 634 CA PHE A 41 -7.619 -4.957 -1.343 1.00 0.00 C ATOM 635 C PHE A 41 -7.735 -3.685 -2.177 1.00 0.00 C ATOM 636 O PHE A 41 -6.858 -3.374 -2.984 1.00 0.00 O ATOM 637 CB PHE A 41 -6.752 -4.696 -0.110 1.00 0.00 C ATOM 638 CG PHE A 41 -5.281 -4.650 -0.411 1.00 0.00 C ATOM 639 CD1 PHE A 41 -4.678 -3.468 -0.807 1.00 0.00 C ATOM 640 CD2 PHE A 41 -4.502 -5.790 -0.297 1.00 0.00 C ATOM 641 CE1 PHE A 41 -3.324 -3.422 -1.084 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.148 -5.751 -0.572 1.00 0.00 C ATOM 643 CZ PHE A 41 -2.559 -4.566 -0.967 1.00 0.00 C ATOM 0 H PHE A 41 -6.471 -5.745 -2.911 1.00 0.00 H new ATOM 0 HA PHE A 41 -8.618 -5.251 -1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.052 -3.751 0.342 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -6.940 -5.476 0.628 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.272 -2.571 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.958 -6.720 0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.866 -2.494 -1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.551 -6.646 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.502 -4.534 -1.184 1.00 0.00 H new ATOM 653 N THR A 42 -8.826 -2.951 -1.977 1.00 0.00 N ATOM 654 CA THR A 42 -9.059 -1.713 -2.710 1.00 0.00 C ATOM 655 C THR A 42 -7.900 -0.740 -2.529 1.00 0.00 C ATOM 656 O THR A 42 -7.218 -0.755 -1.504 1.00 0.00 O ATOM 657 CB THR A 42 -10.363 -1.029 -2.258 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.307 -0.747 -0.855 1.00 0.00 O ATOM 659 CG2 THR A 42 -11.567 -1.911 -2.555 1.00 0.00 C ATOM 0 H THR A 42 -9.562 -3.193 -1.313 1.00 0.00 H new ATOM 0 HA THR A 42 -9.144 -1.981 -3.763 1.00 0.00 H new ATOM 0 HB THR A 42 -10.470 -0.096 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.039 -1.212 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.477 -1.408 -2.227 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.623 -2.101 -3.627 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.465 -2.857 -2.024 1.00 0.00 H new ATOM 667 N ALA A 43 -7.682 0.107 -3.530 1.00 0.00 N ATOM 668 CA ALA A 43 -6.606 1.089 -3.479 1.00 0.00 C ATOM 669 C ALA A 43 -6.866 2.133 -2.398 1.00 0.00 C ATOM 670 O ALA A 43 -5.967 2.493 -1.640 1.00 0.00 O ATOM 671 CB ALA A 43 -6.440 1.760 -4.835 1.00 0.00 C ATOM 0 H ALA A 43 -8.236 0.133 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.682 0.567 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.633 2.491 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.200 1.008 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.368 2.263 -5.108 1.00 0.00 H new ATOM 677 N GLY A 44 -8.103 2.616 -2.334 1.00 0.00 N ATOM 678 CA GLY A 44 -8.459 3.615 -1.343 1.00 0.00 C ATOM 679 C GLY A 44 -7.944 3.268 0.040 1.00 0.00 C ATOM 680 O GLY A 44 -7.297 4.087 0.692 1.00 0.00 O ATOM 0 H GLY A 44 -8.865 2.333 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.057 4.582 -1.645 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.544 3.718 -1.308 1.00 0.00 H new ATOM 684 N GLU A 45 -8.234 2.051 0.490 1.00 0.00 N ATOM 685 CA GLU A 45 -7.797 1.599 1.806 1.00 0.00 C ATOM 686 C GLU A 45 -6.285 1.740 1.955 1.00 0.00 C ATOM 687 O GLU A 45 -5.793 2.201 2.985 1.00 0.00 O ATOM 688 CB GLU A 45 -8.210 0.144 2.033 1.00 0.00 C ATOM 689 CG GLU A 45 -9.645 -0.015 2.507 1.00 0.00 C ATOM 690 CD GLU A 45 -9.768 0.027 4.018 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.873 -0.510 4.702 1.00 0.00 O ATOM 692 OE2 GLU A 45 -10.761 0.598 4.516 1.00 0.00 O ATOM 0 H GLU A 45 -8.769 1.361 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.278 2.226 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.080 -0.411 1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.542 -0.304 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.257 0.777 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.042 -0.961 2.140 1.00 0.00 H new ATOM 699 N ALA A 46 -5.554 1.339 0.921 1.00 0.00 N ATOM 700 CA ALA A 46 -4.099 1.421 0.935 1.00 0.00 C ATOM 701 C ALA A 46 -3.632 2.825 1.302 1.00 0.00 C ATOM 702 O ALA A 46 -2.668 2.995 2.049 1.00 0.00 O ATOM 703 CB ALA A 46 -3.534 1.011 -0.416 1.00 0.00 C ATOM 0 H ALA A 46 -5.946 0.954 0.062 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.728 0.733 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.446 1.077 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.830 -0.014 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.920 1.676 -1.189 1.00 0.00 H new ATOM 709 N VAL A 47 -4.322 3.831 0.772 1.00 0.00 N ATOM 710 CA VAL A 47 -3.978 5.221 1.044 1.00 0.00 C ATOM 711 C VAL A 47 -3.827 5.467 2.541 1.00 0.00 C ATOM 712 O VAL A 47 -2.826 6.023 2.992 1.00 0.00 O ATOM 713 CB VAL A 47 -5.041 6.183 0.481 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.668 7.627 0.781 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.213 5.968 -1.015 1.00 0.00 C ATOM 0 H VAL A 47 -5.122 3.708 0.152 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.026 5.414 0.549 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.993 5.971 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.431 8.292 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.600 7.769 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.706 7.857 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.968 6.656 -1.397 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.265 6.152 -1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.530 4.942 -1.201 1.00 0.00 H new ATOM 725 N ASP A 48 -4.829 5.049 3.307 1.00 0.00 N ATOM 726 CA ASP A 48 -4.809 5.222 4.755 1.00 0.00 C ATOM 727 C ASP A 48 -3.759 4.320 5.395 1.00 0.00 C ATOM 728 O ASP A 48 -2.959 4.768 6.216 1.00 0.00 O ATOM 729 CB ASP A 48 -6.187 4.921 5.345 1.00 0.00 C ATOM 730 CG ASP A 48 -6.391 5.572 6.699 1.00 0.00 C ATOM 731 OD1 ASP A 48 -6.354 6.819 6.771 1.00 0.00 O ATOM 732 OD2 ASP A 48 -6.589 4.835 7.688 1.00 0.00 O ATOM 0 H ASP A 48 -5.665 4.588 2.949 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.550 6.259 4.969 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.958 5.270 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.310 3.842 5.441 1.00 0.00 H new ATOM 737 N TRP A 49 -3.769 3.047 5.015 1.00 0.00 N ATOM 738 CA TRP A 49 -2.818 2.081 5.553 1.00 0.00 C ATOM 739 C TRP A 49 -1.390 2.607 5.449 1.00 0.00 C ATOM 740 O TRP A 49 -0.682 2.712 6.451 1.00 0.00 O ATOM 741 CB TRP A 49 -2.939 0.748 4.813 1.00 0.00 C ATOM 742 CG TRP A 49 -1.678 -0.061 4.837 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.151 -0.787 3.807 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.788 -0.228 5.945 1.00 0.00 C ATOM 745 NE1 TRP A 49 0.014 -1.396 4.209 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.259 -1.068 5.516 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.772 0.251 7.258 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.307 -1.437 6.355 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.270 -0.116 8.089 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.298 -0.953 7.635 1.00 0.00 C ATOM 0 H TRP A 49 -4.425 2.660 4.337 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.052 1.926 6.606 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.745 0.165 5.259 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.220 0.940 3.777 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.586 -0.870 2.822 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.601 -1.995 3.628 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.560 0.897 7.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.100 -2.083 6.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.292 0.249 9.105 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.099 -1.221 8.308 1.00 0.00 H new ATOM 761 N LEU A 50 -0.973 2.935 4.231 1.00 0.00 N ATOM 762 CA LEU A 50 0.372 3.450 3.997 1.00 0.00 C ATOM 763 C LEU A 50 0.552 4.818 4.647 1.00 0.00 C ATOM 764 O LEU A 50 1.559 5.075 5.308 1.00 0.00 O ATOM 765 CB LEU A 50 0.647 3.547 2.495 1.00 0.00 C ATOM 766 CG LEU A 50 2.059 3.980 2.098 1.00 0.00 C ATOM 767 CD1 LEU A 50 3.035 2.824 2.255 1.00 0.00 C ATOM 768 CD2 LEU A 50 2.074 4.503 0.669 1.00 0.00 C ATOM 0 H LEU A 50 -1.546 2.854 3.391 1.00 0.00 H new ATOM 0 HA LEU A 50 1.083 2.758 4.447 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.447 2.574 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.063 4.251 2.061 1.00 0.00 H new ATOM 0 HG LEU A 50 2.372 4.786 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.035 3.150 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.045 2.495 3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.726 1.997 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.087 4.807 0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.741 3.718 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.405 5.360 0.588 1.00 0.00 H new ATOM 780 N TYR A 51 -0.431 5.692 4.457 1.00 0.00 N ATOM 781 CA TYR A 51 -0.380 7.034 5.025 1.00 0.00 C ATOM 782 C TYR A 51 0.004 6.987 6.501 1.00 0.00 C ATOM 783 O TYR A 51 0.955 7.643 6.927 1.00 0.00 O ATOM 784 CB TYR A 51 -1.732 7.730 4.861 1.00 0.00 C ATOM 785 CG TYR A 51 -1.856 9.008 5.660 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.230 10.176 5.241 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.597 9.048 6.835 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.339 11.346 5.968 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.713 10.214 7.567 1.00 0.00 C ATOM 790 CZ TYR A 51 -2.082 11.359 7.130 1.00 0.00 C ATOM 791 OH TYR A 51 -2.194 12.522 7.857 1.00 0.00 O ATOM 0 H TYR A 51 -1.272 5.495 3.914 1.00 0.00 H new ATOM 0 HA TYR A 51 0.381 7.600 4.488 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.890 7.954 3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.523 7.044 5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.648 10.169 4.331 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.091 8.152 7.182 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.846 12.245 5.628 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.295 10.228 8.477 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.752 12.362 8.647 1.00 0.00 H new ATOM 801 N ASP A 52 -0.741 6.206 7.275 1.00 0.00 N ATOM 802 CA ASP A 52 -0.478 6.070 8.703 1.00 0.00 C ATOM 803 C ASP A 52 0.944 5.575 8.949 1.00 0.00 C ATOM 804 O ASP A 52 1.610 6.010 9.890 1.00 0.00 O ATOM 805 CB ASP A 52 -1.483 5.109 9.339 1.00 0.00 C ATOM 806 CG ASP A 52 -1.013 4.584 10.682 1.00 0.00 C ATOM 807 OD1 ASP A 52 -0.189 5.264 11.329 1.00 0.00 O ATOM 808 OD2 ASP A 52 -1.469 3.495 11.086 1.00 0.00 O ATOM 0 H ASP A 52 -1.532 5.657 6.938 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.586 7.053 9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.438 5.618 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.656 4.270 8.665 1.00 0.00 H new ATOM 813 N LEU A 53 1.403 4.664 8.099 1.00 0.00 N ATOM 814 CA LEU A 53 2.747 4.109 8.224 1.00 0.00 C ATOM 815 C LEU A 53 3.804 5.179 7.972 1.00 0.00 C ATOM 816 O LEU A 53 4.801 5.263 8.690 1.00 0.00 O ATOM 817 CB LEU A 53 2.934 2.949 7.245 1.00 0.00 C ATOM 818 CG LEU A 53 4.319 2.302 7.228 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.387 1.160 8.230 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.660 1.808 5.829 1.00 0.00 C ATOM 0 H LEU A 53 0.865 4.293 7.316 1.00 0.00 H new ATOM 0 HA LEU A 53 2.868 3.739 9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.198 2.180 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.710 3.308 6.240 1.00 0.00 H new ATOM 0 HG LEU A 53 5.054 3.054 7.515 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.380 0.712 8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.188 1.542 9.231 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.642 0.407 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.649 1.350 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.921 1.071 5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.654 2.648 5.135 1.00 0.00 H new ATOM 832 N LEU A 54 3.579 5.995 6.949 1.00 0.00 N ATOM 833 CA LEU A 54 4.511 7.062 6.602 1.00 0.00 C ATOM 834 C LEU A 54 4.594 8.097 7.720 1.00 0.00 C ATOM 835 O LEU A 54 5.637 8.258 8.354 1.00 0.00 O ATOM 836 CB LEU A 54 4.082 7.737 5.298 1.00 0.00 C ATOM 837 CG LEU A 54 3.949 6.821 4.081 1.00 0.00 C ATOM 838 CD1 LEU A 54 3.086 7.475 3.013 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.321 6.473 3.521 1.00 0.00 C ATOM 0 H LEU A 54 2.759 5.938 6.345 1.00 0.00 H new ATOM 0 HA LEU A 54 5.498 6.619 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.123 8.228 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.804 8.519 5.062 1.00 0.00 H new ATOM 0 HG LEU A 54 3.464 5.898 4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.002 6.809 2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.093 7.672 3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.543 8.414 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.206 5.820 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.834 7.387 3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.907 5.962 4.285 1.00 0.00 H new ATOM 851 N ARG A 55 3.488 8.795 7.956 1.00 0.00 N ATOM 852 CA ARG A 55 3.436 9.814 8.998 1.00 0.00 C ATOM 853 C ARG A 55 4.092 9.313 10.281 1.00 0.00 C ATOM 854 O ARG A 55 4.886 10.020 10.901 1.00 0.00 O ATOM 855 CB ARG A 55 1.986 10.214 9.277 1.00 0.00 C ATOM 856 CG ARG A 55 1.147 9.092 9.866 1.00 0.00 C ATOM 857 CD ARG A 55 -0.270 9.555 10.168 1.00 0.00 C ATOM 858 NE ARG A 55 -0.876 8.790 11.255 1.00 0.00 N ATOM 859 CZ ARG A 55 -0.697 9.073 12.540 1.00 0.00 C ATOM 860 NH1 ARG A 55 0.066 10.097 12.898 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.283 8.331 13.472 1.00 0.00 N ATOM 0 H ARG A 55 2.616 8.674 7.440 1.00 0.00 H new ATOM 0 HA ARG A 55 3.986 10.687 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.977 11.061 9.963 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.526 10.551 8.348 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.116 8.255 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.615 8.728 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.257 10.612 10.432 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.882 9.458 9.271 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.469 7.996 11.014 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.518 10.670 12.185 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.201 10.311 13.886 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.871 7.543 13.201 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.145 8.549 14.459 1.00 0.00 H new ATOM 875 N ASN A 56 3.755 8.089 10.674 1.00 0.00 N ATOM 876 CA ASN A 56 4.311 7.494 11.884 1.00 0.00 C ATOM 877 C ASN A 56 5.818 7.724 11.961 1.00 0.00 C ATOM 878 O ASN A 56 6.346 8.096 13.008 1.00 0.00 O ATOM 879 CB ASN A 56 4.011 5.994 11.924 1.00 0.00 C ATOM 880 CG ASN A 56 4.326 5.377 13.273 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.484 5.319 13.686 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.293 4.913 13.967 1.00 0.00 N ATOM 0 H ASN A 56 3.100 7.490 10.172 1.00 0.00 H new ATOM 0 HA ASN A 56 3.843 7.975 12.743 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.959 5.830 11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.592 5.489 11.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.443 4.487 14.882 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.350 4.982 13.585 1.00 0.00 H new ATOM 889 N ASN A 57 6.503 7.502 10.844 1.00 0.00 N ATOM 890 CA ASN A 57 7.948 7.686 10.784 1.00 0.00 C ATOM 891 C ASN A 57 8.312 9.165 10.862 1.00 0.00 C ATOM 892 O ASN A 57 7.509 10.032 10.517 1.00 0.00 O ATOM 893 CB ASN A 57 8.508 7.079 9.496 1.00 0.00 C ATOM 894 CG ASN A 57 10.003 6.837 9.573 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.667 7.278 10.511 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.540 6.133 8.583 1.00 0.00 N ATOM 0 H ASN A 57 6.080 7.194 9.968 1.00 0.00 H new ATOM 0 HA ASN A 57 8.389 7.176 11.640 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.000 6.136 9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.293 7.745 8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.541 5.938 8.580 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.951 5.787 7.825 1.00 0.00 H new ATOM 903 N SER A 58 9.529 9.447 11.318 1.00 0.00 N ATOM 904 CA SER A 58 9.999 10.821 11.445 1.00 0.00 C ATOM 905 C SER A 58 10.283 11.427 10.074 1.00 0.00 C ATOM 906 O SER A 58 9.921 12.571 9.802 1.00 0.00 O ATOM 907 CB SER A 58 11.260 10.874 12.309 1.00 0.00 C ATOM 908 OG SER A 58 12.359 10.275 11.645 1.00 0.00 O ATOM 0 H SER A 58 10.207 8.741 11.606 1.00 0.00 H new ATOM 0 HA SER A 58 9.213 11.404 11.926 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.497 11.911 12.549 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.079 10.362 13.254 1.00 0.00 H new ATOM 0 HG SER A 58 13.153 10.323 12.217 1.00 0.00 H new ATOM 914 N ASN A 59 10.933 10.650 9.214 1.00 0.00 N ATOM 915 CA ASN A 59 11.267 11.109 7.870 1.00 0.00 C ATOM 916 C ASN A 59 10.146 11.969 7.295 1.00 0.00 C ATOM 917 O ASN A 59 10.351 13.140 6.974 1.00 0.00 O ATOM 918 CB ASN A 59 11.530 9.914 6.952 1.00 0.00 C ATOM 919 CG ASN A 59 12.796 9.166 7.324 1.00 0.00 C ATOM 920 OD1 ASN A 59 12.634 7.982 7.904 1.00 0.00 O flip ATOM 921 ND2 ASN A 59 13.905 9.647 7.094 1.00 0.00 N flip ATOM 0 H ASN A 59 11.239 9.700 9.423 1.00 0.00 H new ATOM 0 HA ASN A 59 12.170 11.716 7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.681 9.231 6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.606 10.261 5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.982 10.560 6.646 1.00 0.00 H new ATOM 0 HD22 ASN A 59 14.747 9.132 7.351 1.00 0.00 H new ATOM 928 N PHE A 60 8.961 11.381 7.169 1.00 0.00 N ATOM 929 CA PHE A 60 7.807 12.093 6.633 1.00 0.00 C ATOM 930 C PHE A 60 7.115 12.907 7.722 1.00 0.00 C ATOM 931 O PHE A 60 6.855 14.097 7.553 1.00 0.00 O ATOM 932 CB PHE A 60 6.817 11.107 6.010 1.00 0.00 C ATOM 933 CG PHE A 60 7.444 10.180 5.008 1.00 0.00 C ATOM 934 CD1 PHE A 60 7.561 10.552 3.679 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.916 8.936 5.396 1.00 0.00 C ATOM 936 CE1 PHE A 60 8.137 9.701 2.754 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.493 8.082 4.476 1.00 0.00 C ATOM 938 CZ PHE A 60 8.603 8.464 3.154 1.00 0.00 C ATOM 0 H PHE A 60 8.775 10.413 7.431 1.00 0.00 H new ATOM 0 HA PHE A 60 8.161 12.778 5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.358 10.516 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.017 11.666 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.198 11.518 3.361 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.832 8.631 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.222 10.003 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 60 8.858 7.116 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.053 7.797 2.434 1.00 0.00 H new ATOM 948 N GLY A 61 6.820 12.254 8.843 1.00 0.00 N ATOM 949 CA GLY A 61 6.161 12.931 9.944 1.00 0.00 C ATOM 950 C GLY A 61 4.684 13.156 9.685 1.00 0.00 C ATOM 951 O GLY A 61 4.170 12.867 8.604 1.00 0.00 O ATOM 0 H GLY A 61 7.026 11.269 9.007 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.282 12.342 10.853 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.647 13.891 10.119 1.00 0.00 H new ATOM 955 N PRO A 62 3.976 13.683 10.695 1.00 0.00 N ATOM 956 CA PRO A 62 2.539 13.957 10.596 1.00 0.00 C ATOM 957 C PRO A 62 2.233 15.112 9.649 1.00 0.00 C ATOM 958 O PRO A 62 1.074 15.471 9.448 1.00 0.00 O ATOM 959 CB PRO A 62 2.148 14.323 12.030 1.00 0.00 C ATOM 960 CG PRO A 62 3.405 14.831 12.647 1.00 0.00 C ATOM 961 CD PRO A 62 4.523 14.052 12.011 1.00 0.00 C ATOM 0 HA PRO A 62 1.989 13.106 10.194 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.365 15.081 12.046 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.764 13.457 12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.523 15.900 12.468 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.395 14.688 13.727 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.428 14.652 11.916 1.00 0.00 H new ATOM 0 HD3 PRO A 62 4.785 13.172 12.599 1.00 0.00 H new ATOM 969 N GLU A 63 3.281 15.691 9.071 1.00 0.00 N ATOM 970 CA GLU A 63 3.123 16.806 8.145 1.00 0.00 C ATOM 971 C GLU A 63 2.587 16.325 6.800 1.00 0.00 C ATOM 972 O GLU A 63 1.867 17.048 6.111 1.00 0.00 O ATOM 973 CB GLU A 63 4.458 17.527 7.947 1.00 0.00 C ATOM 974 CG GLU A 63 5.581 16.612 7.488 1.00 0.00 C ATOM 975 CD GLU A 63 6.701 17.365 6.797 1.00 0.00 C ATOM 976 OE1 GLU A 63 6.454 18.492 6.321 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.826 16.826 6.732 1.00 0.00 O ATOM 0 H GLU A 63 4.248 15.406 9.228 1.00 0.00 H new ATOM 0 HA GLU A 63 2.403 17.502 8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.326 18.323 7.214 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.748 18.002 8.884 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.984 16.078 8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.178 15.862 6.807 1.00 0.00 H new ATOM 984 N VAL A 64 2.946 15.099 6.431 1.00 0.00 N ATOM 985 CA VAL A 64 2.501 14.520 5.169 1.00 0.00 C ATOM 986 C VAL A 64 0.987 14.347 5.146 1.00 0.00 C ATOM 987 O VAL A 64 0.375 13.993 6.155 1.00 0.00 O ATOM 988 CB VAL A 64 3.167 13.154 4.913 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.810 12.171 6.017 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.760 12.611 3.552 1.00 0.00 C ATOM 0 H VAL A 64 3.543 14.488 6.988 1.00 0.00 H new ATOM 0 HA VAL A 64 2.796 15.214 4.382 1.00 0.00 H new ATOM 0 HB VAL A 64 4.249 13.290 4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.289 11.212 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.156 12.559 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.729 12.037 6.049 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.239 11.646 3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.677 12.489 3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.071 13.308 2.774 1.00 0.00 H new ATOM 1000 N THR A 65 0.385 14.599 3.988 1.00 0.00 N ATOM 1001 CA THR A 65 -1.059 14.472 3.833 1.00 0.00 C ATOM 1002 C THR A 65 -1.410 13.398 2.810 1.00 0.00 C ATOM 1003 O THR A 65 -0.564 12.981 2.018 1.00 0.00 O ATOM 1004 CB THR A 65 -1.697 15.806 3.400 1.00 0.00 C ATOM 1005 OG1 THR A 65 -3.118 15.662 3.309 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.141 16.262 2.060 1.00 0.00 C ATOM 0 H THR A 65 0.875 14.892 3.143 1.00 0.00 H new ATOM 0 HA THR A 65 -1.457 14.186 4.807 1.00 0.00 H new ATOM 0 HB THR A 65 -1.456 16.559 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.516 16.514 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.606 17.206 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.063 16.399 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.355 15.509 1.302 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.662 12.955 2.830 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.125 11.929 1.903 1.00 0.00 C ATOM 1016 C ARG A 66 -2.611 12.199 0.492 1.00 0.00 C ATOM 1017 O ARG A 66 -1.946 11.355 -0.108 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.653 11.868 1.898 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.239 11.161 3.109 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.640 11.661 3.423 1.00 0.00 C ATOM 1021 NE ARG A 66 -6.622 12.813 4.320 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.581 13.732 4.357 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.629 13.632 3.551 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -7.493 14.751 5.201 1.00 0.00 N ATOM 0 H ARG A 66 -3.375 13.290 3.478 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.731 10.969 2.237 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.048 12.883 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.985 11.357 0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.268 10.087 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.593 11.320 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.145 11.932 2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.218 10.857 3.878 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.829 12.918 4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -8.700 12.849 2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.364 14.338 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -6.688 14.830 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.230 15.456 5.228 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.923 13.381 -0.030 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.494 13.761 -1.370 1.00 0.00 C ATOM 1040 C GLN A 67 -1.123 13.175 -1.689 1.00 0.00 C ATOM 1041 O GLN A 67 -0.944 12.508 -2.709 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.454 15.284 -1.503 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.807 15.903 -1.813 1.00 0.00 C ATOM 1044 CD GLN A 67 -4.800 15.734 -0.680 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -5.764 14.977 -0.792 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -4.569 16.440 0.420 1.00 0.00 N ATOM 0 H GLN A 67 -3.471 14.091 0.455 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.215 13.360 -2.082 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.072 15.711 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.751 15.553 -2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.677 16.965 -2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.212 15.448 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.757 17.056 0.470 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.203 16.367 1.216 1.00 0.00 H new ATOM 1055 N GLN A 68 -0.158 13.428 -0.811 1.00 0.00 N ATOM 1056 CA GLN A 68 1.198 12.926 -1.001 1.00 0.00 C ATOM 1057 C GLN A 68 1.212 11.401 -1.051 1.00 0.00 C ATOM 1058 O GLN A 68 1.907 10.802 -1.872 1.00 0.00 O ATOM 1059 CB GLN A 68 2.109 13.419 0.124 1.00 0.00 C ATOM 1060 CG GLN A 68 2.403 14.909 0.061 1.00 0.00 C ATOM 1061 CD GLN A 68 3.679 15.285 0.787 1.00 0.00 C ATOM 1062 OE1 GLN A 68 3.668 15.548 1.990 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.789 15.310 0.059 1.00 0.00 N ATOM 0 H GLN A 68 -0.290 13.977 0.038 1.00 0.00 H new ATOM 0 HA GLN A 68 1.569 13.306 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.645 13.189 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.050 12.870 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.479 15.216 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.568 15.459 0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.752 15.085 -0.935 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.679 15.554 0.494 1.00 0.00 H new ATOM 1072 N THR A 69 0.440 10.778 -0.167 1.00 0.00 N ATOM 1073 CA THR A 69 0.364 9.324 -0.109 1.00 0.00 C ATOM 1074 C THR A 69 -0.004 8.738 -1.467 1.00 0.00 C ATOM 1075 O THR A 69 0.694 7.868 -1.988 1.00 0.00 O ATOM 1076 CB THR A 69 -0.667 8.856 0.936 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.430 9.513 2.186 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.596 7.348 1.128 1.00 0.00 C ATOM 0 H THR A 69 -0.142 11.258 0.519 1.00 0.00 H new ATOM 0 HA THR A 69 1.352 8.968 0.182 1.00 0.00 H new ATOM 0 HB THR A 69 -1.662 9.114 0.574 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.057 8.910 2.786 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.333 7.041 1.870 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.805 6.850 0.181 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.401 7.071 1.470 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.104 9.220 -2.036 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.563 8.745 -3.335 1.00 0.00 C ATOM 1088 C ILE A 70 -0.464 8.866 -4.385 1.00 0.00 C ATOM 1089 O ILE A 70 -0.235 7.944 -5.167 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.803 9.523 -3.813 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.974 9.300 -2.854 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -3.181 9.102 -5.225 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -5.106 10.285 -3.042 1.00 0.00 C ATOM 0 H ILE A 70 -1.694 9.939 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.829 7.695 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.564 10.586 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.357 8.289 -2.990 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.611 9.368 -1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.059 9.661 -5.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.351 9.308 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.404 8.035 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.901 10.066 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.738 11.298 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.496 10.202 -4.056 1.00 0.00 H new ATOM 1105 N GLN A 71 0.213 10.010 -4.394 1.00 0.00 N ATOM 1106 CA GLN A 71 1.289 10.252 -5.348 1.00 0.00 C ATOM 1107 C GLN A 71 2.367 9.178 -5.237 1.00 0.00 C ATOM 1108 O GLN A 71 2.818 8.629 -6.243 1.00 0.00 O ATOM 1109 CB GLN A 71 1.904 11.633 -5.116 1.00 0.00 C ATOM 1110 CG GLN A 71 0.966 12.781 -5.454 1.00 0.00 C ATOM 1111 CD GLN A 71 1.701 14.085 -5.690 1.00 0.00 C ATOM 1112 OE1 GLN A 71 2.630 14.429 -4.958 1.00 0.00 O ATOM 1113 NE2 GLN A 71 1.288 14.820 -6.716 1.00 0.00 N ATOM 0 H GLN A 71 0.036 10.783 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 71 0.865 10.214 -6.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.206 11.717 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.808 11.725 -5.717 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.392 12.526 -6.345 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.252 12.913 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.514 14.496 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.745 15.708 -6.924 1.00 0.00 H new ATOM 1122 N LEU A 72 2.776 8.882 -4.008 1.00 0.00 N ATOM 1123 CA LEU A 72 3.801 7.874 -3.764 1.00 0.00 C ATOM 1124 C LEU A 72 3.314 6.490 -4.184 1.00 0.00 C ATOM 1125 O LEU A 72 4.037 5.739 -4.841 1.00 0.00 O ATOM 1126 CB LEU A 72 4.192 7.862 -2.285 1.00 0.00 C ATOM 1127 CG LEU A 72 5.359 6.949 -1.907 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.668 7.505 -2.446 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.432 6.776 -0.397 1.00 0.00 C ATOM 0 H LEU A 72 2.413 9.326 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 72 4.676 8.129 -4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.442 8.880 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.320 7.565 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 72 5.191 5.971 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.487 6.842 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.613 7.577 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.843 8.495 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.268 6.123 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.576 7.748 0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.504 6.332 -0.036 1.00 0.00 H new ATOM 1141 N LEU A 73 2.085 6.160 -3.803 1.00 0.00 N ATOM 1142 CA LEU A 73 1.500 4.868 -4.142 1.00 0.00 C ATOM 1143 C LEU A 73 1.800 4.497 -5.590 1.00 0.00 C ATOM 1144 O LEU A 73 2.101 3.344 -5.897 1.00 0.00 O ATOM 1145 CB LEU A 73 -0.012 4.894 -3.912 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.681 3.538 -3.688 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.404 3.032 -2.281 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -2.179 3.634 -3.937 1.00 0.00 C ATOM 0 H LEU A 73 1.474 6.770 -3.259 1.00 0.00 H new ATOM 0 HA LEU A 73 1.946 4.114 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.217 5.525 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.482 5.371 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.260 2.826 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.888 2.066 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.671 2.923 -2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.796 3.744 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.638 2.659 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.616 4.361 -3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.357 3.951 -4.965 1.00 0.00 H new ATOM 1160 N ARG A 74 1.718 5.484 -6.477 1.00 0.00 N ATOM 1161 CA ARG A 74 1.981 5.262 -7.894 1.00 0.00 C ATOM 1162 C ARG A 74 3.315 4.548 -8.093 1.00 0.00 C ATOM 1163 O ARG A 74 3.387 3.519 -8.766 1.00 0.00 O ATOM 1164 CB ARG A 74 1.985 6.592 -8.648 1.00 0.00 C ATOM 1165 CG ARG A 74 0.602 7.203 -8.812 1.00 0.00 C ATOM 1166 CD ARG A 74 0.684 8.656 -9.253 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.527 9.087 -9.946 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.558 10.090 -10.817 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.550 10.761 -11.099 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.698 10.422 -11.408 1.00 0.00 N ATOM 0 H ARG A 74 1.472 6.445 -6.239 1.00 0.00 H new ATOM 0 HA ARG A 74 1.187 4.630 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.625 7.298 -8.119 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.425 6.440 -9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.035 6.630 -9.546 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.060 7.138 -7.869 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.848 9.290 -8.382 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.544 8.787 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.397 8.591 -9.751 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.429 10.508 -10.647 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.524 11.531 -11.768 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.552 9.907 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.721 11.192 -12.076 1.00 0.00 H new ATOM 1184 N LYS A 75 4.370 5.101 -7.505 1.00 0.00 N ATOM 1185 CA LYS A 75 5.702 4.519 -7.616 1.00 0.00 C ATOM 1186 C LYS A 75 5.655 3.009 -7.403 1.00 0.00 C ATOM 1187 O LYS A 75 6.039 2.236 -8.281 1.00 0.00 O ATOM 1188 CB LYS A 75 6.648 5.159 -6.598 1.00 0.00 C ATOM 1189 CG LYS A 75 7.352 6.400 -7.118 1.00 0.00 C ATOM 1190 CD LYS A 75 6.516 7.650 -6.897 1.00 0.00 C ATOM 1191 CE LYS A 75 7.114 8.854 -7.608 1.00 0.00 C ATOM 1192 NZ LYS A 75 6.638 8.960 -9.015 1.00 0.00 N ATOM 0 H LYS A 75 4.328 5.953 -6.946 1.00 0.00 H new ATOM 0 HA LYS A 75 6.074 4.715 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.083 5.420 -5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.397 4.425 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.313 6.511 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.559 6.283 -8.182 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.502 7.479 -7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.443 7.856 -5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.852 9.763 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.201 8.779 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.068 9.793 -9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.910 8.104 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.603 9.057 -9.025 1.00 0.00 H new ATOM 1206 N PHE A 76 5.181 2.596 -6.233 1.00 0.00 N ATOM 1207 CA PHE A 76 5.084 1.178 -5.905 1.00 0.00 C ATOM 1208 C PHE A 76 4.672 0.364 -7.128 1.00 0.00 C ATOM 1209 O PHE A 76 5.227 -0.703 -7.394 1.00 0.00 O ATOM 1210 CB PHE A 76 4.078 0.963 -4.773 1.00 0.00 C ATOM 1211 CG PHE A 76 4.559 1.461 -3.440 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.332 2.773 -3.054 1.00 0.00 C ATOM 1213 CD2 PHE A 76 5.238 0.619 -2.574 1.00 0.00 C ATOM 1214 CE1 PHE A 76 4.773 3.235 -1.828 1.00 0.00 C ATOM 1215 CE2 PHE A 76 5.681 1.076 -1.347 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.449 2.386 -0.974 1.00 0.00 C ATOM 0 H PHE A 76 4.858 3.223 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 76 6.067 0.838 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.146 1.468 -5.026 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.853 -0.101 -4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.805 3.442 -3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.423 -0.406 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.589 4.259 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.208 0.410 -0.680 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.796 2.745 -0.016 1.00 0.00 H new ATOM 1226 N LEU A 77 3.696 0.875 -7.869 1.00 0.00 N ATOM 1227 CA LEU A 77 3.208 0.196 -9.065 1.00 0.00 C ATOM 1228 C LEU A 77 4.248 0.242 -10.180 1.00 0.00 C ATOM 1229 O LEU A 77 4.450 -0.739 -10.896 1.00 0.00 O ATOM 1230 CB LEU A 77 1.903 0.837 -9.543 1.00 0.00 C ATOM 1231 CG LEU A 77 1.343 0.313 -10.866 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.835 -1.111 -10.704 1.00 0.00 C ATOM 1233 CD2 LEU A 77 0.234 1.223 -11.373 1.00 0.00 C ATOM 0 H LEU A 77 3.227 1.757 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 77 3.021 -0.847 -8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.148 0.695 -8.770 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.063 1.911 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 77 2.147 0.308 -11.602 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.440 -1.467 -11.656 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.655 -1.756 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.045 -1.132 -9.953 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.153 0.835 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.570 1.260 -10.638 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.630 2.227 -11.529 1.00 0.00 H new ATOM 1245 N LYS A 78 4.908 1.386 -10.320 1.00 0.00 N ATOM 1246 CA LYS A 78 5.931 1.560 -11.344 1.00 0.00 C ATOM 1247 C LYS A 78 7.067 0.560 -11.154 1.00 0.00 C ATOM 1248 O LYS A 78 7.653 0.081 -12.124 1.00 0.00 O ATOM 1249 CB LYS A 78 6.482 2.987 -11.307 1.00 0.00 C ATOM 1250 CG LYS A 78 7.818 3.105 -10.594 1.00 0.00 C ATOM 1251 CD LYS A 78 8.359 4.524 -10.655 1.00 0.00 C ATOM 1252 CE LYS A 78 9.703 4.638 -9.952 1.00 0.00 C ATOM 1253 NZ LYS A 78 10.791 3.980 -10.725 1.00 0.00 N ATOM 0 H LYS A 78 4.753 2.208 -9.736 1.00 0.00 H new ATOM 0 HA LYS A 78 5.471 1.380 -12.316 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.591 3.352 -12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.758 3.635 -10.813 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.704 2.803 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.535 2.421 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.464 4.830 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.646 5.207 -10.193 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.947 5.690 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.635 4.185 -8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.701 4.138 -10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.605 2.959 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.829 4.383 -11.683 1.00 0.00 H new ATOM 1267 N ASN A 79 7.371 0.249 -9.898 1.00 0.00 N ATOM 1268 CA ASN A 79 8.436 -0.695 -9.581 1.00 0.00 C ATOM 1269 C ASN A 79 7.914 -2.129 -9.593 1.00 0.00 C ATOM 1270 O ASN A 79 8.642 -3.069 -9.272 1.00 0.00 O ATOM 1271 CB ASN A 79 9.043 -0.372 -8.214 1.00 0.00 C ATOM 1272 CG ASN A 79 10.067 0.743 -8.285 1.00 0.00 C ATOM 1273 OD1 ASN A 79 11.017 0.680 -9.066 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.878 1.773 -7.468 1.00 0.00 N ATOM 0 H ASN A 79 6.895 0.637 -9.084 1.00 0.00 H new ATOM 0 HA ASN A 79 9.208 -0.602 -10.345 1.00 0.00 H new ATOM 0 HB2 ASN A 79 8.248 -0.088 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 79 9.513 -1.268 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.534 2.554 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.077 1.783 -6.837 1.00 0.00 H new ATOM 1281 N HIS A 80 6.648 -2.289 -9.965 1.00 0.00 N ATOM 1282 CA HIS A 80 6.028 -3.608 -10.020 1.00 0.00 C ATOM 1283 C HIS A 80 5.896 -4.204 -8.622 1.00 0.00 C ATOM 1284 O HIS A 80 5.985 -5.419 -8.443 1.00 0.00 O ATOM 1285 CB HIS A 80 6.847 -4.543 -10.910 1.00 0.00 C ATOM 1286 CG HIS A 80 6.050 -5.676 -11.481 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.438 -6.378 -12.603 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.883 -6.229 -11.078 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.542 -7.312 -12.866 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.588 -7.243 -11.955 1.00 0.00 N ATOM 0 H HIS A 80 6.032 -1.522 -10.233 1.00 0.00 H new ATOM 0 HA HIS A 80 5.030 -3.496 -10.444 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.281 -3.966 -11.727 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.677 -4.949 -10.331 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.293 -5.929 -10.225 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.582 -8.013 -13.687 1.00 0.00 H new ATOM 0 HE2 HIS A 80 3.766 -7.845 -11.910 1.00 0.00 H new ATOM 1298 N VAL A 81 5.683 -3.342 -7.633 1.00 0.00 N ATOM 1299 CA VAL A 81 5.539 -3.783 -6.251 1.00 0.00 C ATOM 1300 C VAL A 81 4.139 -4.330 -5.992 1.00 0.00 C ATOM 1301 O VAL A 81 3.961 -5.259 -5.204 1.00 0.00 O ATOM 1302 CB VAL A 81 5.820 -2.636 -5.263 1.00 0.00 C ATOM 1303 CG1 VAL A 81 5.719 -3.129 -3.828 1.00 0.00 C ATOM 1304 CG2 VAL A 81 7.188 -2.026 -5.530 1.00 0.00 C ATOM 0 H VAL A 81 5.606 -2.333 -7.764 1.00 0.00 H new ATOM 0 HA VAL A 81 6.271 -4.575 -6.094 1.00 0.00 H new ATOM 0 HB VAL A 81 5.067 -1.862 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.921 -2.304 -3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.716 -3.514 -3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.448 -3.923 -3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.370 -1.217 -4.823 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.956 -2.790 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.219 -1.633 -6.546 1.00 0.00 H new ATOM 1314 N ILE A 82 3.150 -3.748 -6.661 1.00 0.00 N ATOM 1315 CA ILE A 82 1.766 -4.179 -6.505 1.00 0.00 C ATOM 1316 C ILE A 82 1.092 -4.366 -7.860 1.00 0.00 C ATOM 1317 O ILE A 82 1.169 -3.496 -8.728 1.00 0.00 O ATOM 1318 CB ILE A 82 0.952 -3.168 -5.675 1.00 0.00 C ATOM 1319 CG1 ILE A 82 1.073 -1.766 -6.276 1.00 0.00 C ATOM 1320 CG2 ILE A 82 1.421 -3.172 -4.228 1.00 0.00 C ATOM 1321 CD1 ILE A 82 0.114 -0.765 -5.672 1.00 0.00 C ATOM 0 H ILE A 82 3.281 -2.977 -7.316 1.00 0.00 H new ATOM 0 HA ILE A 82 1.790 -5.133 -5.979 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.097 -3.463 -5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.093 -1.408 -6.139 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.897 -1.823 -7.350 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.837 -2.453 -3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.288 -4.168 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.475 -2.898 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.256 0.206 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.911 -1.101 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.305 -0.678 -4.602 1.00 0.00 H new ATOM 1333 N GLU A 83 0.430 -5.506 -8.034 1.00 0.00 N ATOM 1334 CA GLU A 83 -0.258 -5.806 -9.284 1.00 0.00 C ATOM 1335 C GLU A 83 -1.772 -5.725 -9.104 1.00 0.00 C ATOM 1336 O GLU A 83 -2.291 -5.961 -8.014 1.00 0.00 O ATOM 1337 CB GLU A 83 0.133 -7.197 -9.786 1.00 0.00 C ATOM 1338 CG GLU A 83 -0.877 -7.805 -10.745 1.00 0.00 C ATOM 1339 CD GLU A 83 -0.366 -9.070 -11.406 1.00 0.00 C ATOM 1340 OE1 GLU A 83 0.865 -9.194 -11.575 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -1.196 -9.935 -11.755 1.00 0.00 O ATOM 0 H GLU A 83 0.356 -6.236 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 83 0.044 -5.063 -10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.101 -7.136 -10.283 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.255 -7.862 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.797 -8.028 -10.204 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.128 -7.074 -11.514 1.00 0.00 H new ATOM 1348 N ASP A 84 -2.472 -5.389 -10.182 1.00 0.00 N ATOM 1349 CA ASP A 84 -3.925 -5.277 -10.145 1.00 0.00 C ATOM 1350 C ASP A 84 -4.572 -6.647 -9.964 1.00 0.00 C ATOM 1351 O ASP A 84 -3.920 -7.678 -10.131 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.441 -4.622 -11.427 1.00 0.00 C ATOM 1353 CG ASP A 84 -3.747 -3.307 -11.725 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.573 -3.152 -11.327 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.377 -2.434 -12.357 1.00 0.00 O ATOM 0 H ASP A 84 -2.057 -5.190 -11.092 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.194 -4.652 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.295 -5.304 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.514 -4.451 -11.338 1.00 0.00 H new ATOM 1360 N ILE A 85 -5.855 -6.649 -9.620 1.00 0.00 N ATOM 1361 CA ILE A 85 -6.589 -7.892 -9.417 1.00 0.00 C ATOM 1362 C ILE A 85 -6.773 -8.643 -10.731 1.00 0.00 C ATOM 1363 O ILE A 85 -6.998 -9.854 -10.741 1.00 0.00 O ATOM 1364 CB ILE A 85 -7.971 -7.634 -8.788 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -8.756 -8.942 -8.673 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -8.745 -6.615 -9.611 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -9.819 -8.917 -7.597 1.00 0.00 C ATOM 0 H ILE A 85 -6.408 -5.804 -9.476 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.996 -8.500 -8.734 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.828 -7.230 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.226 -9.159 -9.632 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.061 -9.756 -8.467 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.720 -6.443 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.190 -5.678 -9.645 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.881 -6.993 -10.624 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.335 -9.877 -7.573 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.353 -8.731 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.536 -8.125 -7.812 1.00 0.00 H new ATOM 1379 N LYS A 86 -6.674 -7.918 -11.839 1.00 0.00 N ATOM 1380 CA LYS A 86 -6.826 -8.515 -13.161 1.00 0.00 C ATOM 1381 C LYS A 86 -5.482 -8.996 -13.699 1.00 0.00 C ATOM 1382 O LYS A 86 -5.369 -10.111 -14.206 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.444 -7.505 -14.131 1.00 0.00 C ATOM 1384 CG LYS A 86 -8.961 -7.557 -14.179 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.452 -8.597 -15.173 1.00 0.00 C ATOM 1386 CE LYS A 86 -9.187 -10.010 -14.677 1.00 0.00 C ATOM 1387 NZ LYS A 86 -7.823 -10.480 -15.044 1.00 0.00 N ATOM 0 H LYS A 86 -6.489 -6.915 -11.848 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.489 -9.375 -13.070 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.132 -6.501 -13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.051 -7.687 -15.131 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.350 -7.788 -13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.351 -6.577 -14.454 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.521 -8.464 -15.342 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.956 -8.448 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.303 -10.042 -13.594 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.930 -10.688 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.897 -11.321 -15.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.322 -9.726 -15.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.295 -10.722 -14.181 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.465 -8.147 -13.584 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.143 -8.504 -14.062 1.00 0.00 C ATOM 1403 C GLY A 87 -2.474 -7.373 -14.818 1.00 0.00 C ATOM 1404 O GLY A 87 -1.936 -7.577 -15.906 1.00 0.00 O ATOM 0 H GLY A 87 -4.534 -7.218 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.519 -8.790 -13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.218 -9.376 -14.711 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.508 -6.177 -14.240 1.00 0.00 N ATOM 1409 CA ARG A 88 -1.903 -5.008 -14.868 1.00 0.00 C ATOM 1410 C ARG A 88 -0.763 -4.461 -14.013 1.00 0.00 C ATOM 1411 O ARG A 88 -0.973 -4.044 -12.875 1.00 0.00 O ATOM 1412 CB ARG A 88 -2.955 -3.920 -15.091 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.848 -4.174 -16.294 1.00 0.00 C ATOM 1414 CD ARG A 88 -3.101 -3.948 -17.599 1.00 0.00 C ATOM 1415 NE ARG A 88 -2.935 -2.527 -17.896 1.00 0.00 N ATOM 1416 CZ ARG A 88 -2.163 -2.066 -18.874 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -1.491 -2.909 -19.645 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -2.064 -0.759 -19.081 1.00 0.00 N ATOM 0 H ARG A 88 -2.948 -5.992 -13.338 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.497 -5.314 -15.832 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.576 -3.839 -14.199 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.452 -2.961 -15.218 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.223 -5.197 -16.261 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.715 -3.515 -16.251 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.122 -4.423 -17.543 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.642 -4.428 -18.414 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.439 -1.852 -17.321 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.566 -3.914 -19.488 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.899 -2.553 -20.395 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.581 -0.108 -18.489 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -1.471 -0.405 -19.832 1.00 0.00 H new ATOM 1432 N TRP A 89 0.443 -4.468 -14.571 1.00 0.00 N ATOM 1433 CA TRP A 89 1.616 -3.973 -13.860 1.00 0.00 C ATOM 1434 C TRP A 89 2.522 -3.176 -14.792 1.00 0.00 C ATOM 1435 O TRP A 89 2.571 -3.433 -15.994 1.00 0.00 O ATOM 1436 CB TRP A 89 2.394 -5.137 -13.244 1.00 0.00 C ATOM 1437 CG TRP A 89 3.206 -5.903 -14.244 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.863 -7.076 -14.853 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.499 -5.550 -14.748 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.864 -7.474 -15.706 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.878 -6.554 -15.660 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.372 -4.483 -14.519 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.093 -6.521 -16.340 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.577 -4.452 -15.195 1.00 0.00 C ATOM 1445 CH2 TRP A 89 6.928 -5.465 -16.097 1.00 0.00 C ATOM 0 H TRP A 89 0.634 -4.811 -15.513 1.00 0.00 H new ATOM 0 HA TRP A 89 1.274 -3.312 -13.063 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.055 -4.752 -12.468 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.694 -5.816 -12.758 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.940 -7.612 -14.688 1.00 0.00 H new ATOM 0 HE1 TRP A 89 3.854 -8.317 -16.280 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.110 -3.697 -13.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.366 -7.302 -17.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.260 -3.633 -15.025 1.00 0.00 H new ATOM 0 HH2 TRP A 89 7.877 -5.411 -16.611 1.00 0.00 H new ATOM 1456 N GLY A 90 3.240 -2.209 -14.230 1.00 0.00 N ATOM 1457 CA GLY A 90 4.135 -1.390 -15.026 1.00 0.00 C ATOM 1458 C GLY A 90 3.499 -0.081 -15.452 1.00 0.00 C ATOM 1459 O GLY A 90 3.619 0.328 -16.606 1.00 0.00 O ATOM 0 H GLY A 90 3.218 -1.978 -13.237 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.038 -1.182 -14.453 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.441 -1.947 -15.912 1.00 0.00 H new ATOM 1463 N SER A 91 2.820 0.576 -14.518 1.00 0.00 N ATOM 1464 CA SER A 91 2.158 1.844 -14.803 1.00 0.00 C ATOM 1465 C SER A 91 2.184 2.758 -13.582 1.00 0.00 C ATOM 1466 O SER A 91 2.419 2.307 -12.462 1.00 0.00 O ATOM 1467 CB SER A 91 0.712 1.601 -15.241 1.00 0.00 C ATOM 1468 OG SER A 91 0.656 0.710 -16.342 1.00 0.00 O ATOM 0 H SER A 91 2.714 0.252 -13.557 1.00 0.00 H new ATOM 0 HA SER A 91 2.699 2.334 -15.613 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.140 1.192 -14.408 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.246 2.549 -15.512 1.00 0.00 H new ATOM 0 HG SER A 91 -0.278 0.570 -16.602 1.00 0.00 H new ATOM 1474 N GLU A 92 1.942 4.045 -13.809 1.00 0.00 N ATOM 1475 CA GLU A 92 1.939 5.024 -12.728 1.00 0.00 C ATOM 1476 C GLU A 92 0.555 5.643 -12.558 1.00 0.00 C ATOM 1477 O GLU A 92 0.407 6.699 -11.944 1.00 0.00 O ATOM 1478 CB GLU A 92 2.972 6.120 -12.999 1.00 0.00 C ATOM 1479 CG GLU A 92 2.571 7.070 -14.115 1.00 0.00 C ATOM 1480 CD GLU A 92 3.642 8.100 -14.417 1.00 0.00 C ATOM 1481 OE1 GLU A 92 3.723 9.105 -13.679 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.398 7.903 -15.390 1.00 0.00 O ATOM 0 H GLU A 92 1.746 4.434 -14.731 1.00 0.00 H new ATOM 0 HA GLU A 92 2.202 4.508 -11.805 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.131 6.692 -12.085 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.925 5.655 -13.253 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.359 6.496 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.649 7.581 -13.838 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.456 4.979 -13.109 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.828 5.464 -13.020 1.00 0.00 C ATOM 1491 C ASN A 93 -2.632 4.643 -12.016 1.00 0.00 C ATOM 1492 O ASN A 93 -3.065 3.529 -12.314 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.499 5.410 -14.394 1.00 0.00 C ATOM 1494 CG ASN A 93 -2.293 6.686 -15.188 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -1.377 6.780 -16.004 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -3.147 7.675 -14.951 1.00 0.00 N ATOM 0 H ASN A 93 -0.351 4.104 -13.622 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.800 6.498 -12.676 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.100 4.566 -14.957 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.567 5.232 -14.267 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.058 8.557 -15.455 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.892 7.552 -14.265 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.828 5.201 -10.826 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.581 4.521 -9.778 1.00 0.00 C ATOM 1505 C VAL A 94 -4.331 5.521 -8.905 1.00 0.00 C ATOM 1506 O VAL A 94 -3.727 6.396 -8.286 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.658 3.669 -8.887 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -2.015 2.554 -9.697 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.600 4.540 -8.228 1.00 0.00 C ATOM 0 H VAL A 94 -2.476 6.122 -10.563 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.298 3.867 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.260 3.213 -8.101 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.366 1.962 -9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.792 1.914 -10.115 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.425 2.985 -10.506 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.957 3.921 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.999 5.027 -8.996 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -2.084 5.298 -7.612 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.652 5.384 -8.860 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.486 6.274 -8.060 1.00 0.00 C ATOM 1521 C ASP A 95 -6.993 5.565 -6.808 1.00 0.00 C ATOM 1522 O ASP A 95 -6.735 4.378 -6.608 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.668 6.780 -8.889 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.244 7.284 -10.254 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.616 8.361 -10.319 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.542 6.602 -11.257 1.00 0.00 O ATOM 0 H ASP A 95 -6.168 4.666 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.877 7.124 -7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.393 5.975 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.170 7.582 -8.348 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.713 6.301 -5.969 1.00 0.00 N ATOM 1532 CA ASP A 96 -8.256 5.743 -4.736 1.00 0.00 C ATOM 1533 C ASP A 96 -9.581 5.034 -4.997 1.00 0.00 C ATOM 1534 O ASP A 96 -10.343 4.760 -4.071 1.00 0.00 O ATOM 1535 CB ASP A 96 -8.449 6.846 -3.694 1.00 0.00 C ATOM 1536 CG ASP A 96 -9.822 7.483 -3.774 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -10.412 7.487 -4.876 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -10.308 7.979 -2.736 1.00 0.00 O ATOM 0 H ASP A 96 -7.934 7.285 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.544 5.012 -4.352 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.302 6.430 -2.697 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.687 7.613 -3.835 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.850 4.741 -6.265 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.084 4.066 -6.649 1.00 0.00 C ATOM 1545 C ASN A 97 -11.268 2.776 -5.856 1.00 0.00 C ATOM 1546 O ASN A 97 -10.418 2.407 -5.047 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.078 3.760 -8.148 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.700 4.969 -8.983 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -10.151 4.834 -10.077 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.994 6.158 -8.470 1.00 0.00 N ATOM 0 H ASN A 97 -9.230 4.961 -7.044 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.917 4.732 -6.424 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.377 2.950 -8.348 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.065 3.408 -8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.765 7.007 -8.986 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.449 6.222 -7.560 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.383 2.094 -6.096 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.678 0.844 -5.404 1.00 0.00 C ATOM 1559 C ASN A 98 -11.981 -0.331 -6.083 1.00 0.00 C ATOM 1560 O ASN A 98 -12.318 -1.489 -5.839 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.189 0.603 -5.366 1.00 0.00 C ATOM 1562 CG ASN A 98 -14.688 -0.129 -6.597 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.090 -1.290 -6.522 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -14.665 0.549 -7.739 1.00 0.00 N ATOM 0 H ASN A 98 -13.097 2.385 -6.764 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.304 0.925 -4.383 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.440 0.025 -4.476 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.705 1.559 -5.281 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -14.989 0.109 -8.600 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.323 1.510 -7.755 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.008 -0.023 -6.934 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.264 -1.054 -7.648 1.00 0.00 C ATOM 1573 C GLN A 99 -9.430 -1.890 -6.682 1.00 0.00 C ATOM 1574 O GLN A 99 -8.625 -1.357 -5.918 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.358 -0.420 -8.705 1.00 0.00 C ATOM 1576 CG GLN A 99 -10.120 0.267 -9.826 1.00 0.00 C ATOM 1577 CD GLN A 99 -9.245 0.568 -11.027 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.880 1.719 -11.271 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.904 -0.467 -11.786 1.00 0.00 N ATOM 0 H GLN A 99 -10.717 0.931 -7.146 1.00 0.00 H new ATOM 0 HA GLN A 99 -10.982 -1.709 -8.141 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.704 0.307 -8.223 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.717 -1.191 -9.132 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.951 -0.366 -10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.549 1.196 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -9.229 -1.404 -11.547 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.317 -0.325 -12.608 1.00 0.00 H new ATOM 1588 N LEU A 100 -9.629 -3.203 -6.722 1.00 0.00 N ATOM 1589 CA LEU A 100 -8.896 -4.114 -5.850 1.00 0.00 C ATOM 1590 C LEU A 100 -7.478 -4.338 -6.365 1.00 0.00 C ATOM 1591 O LEU A 100 -7.252 -4.432 -7.571 1.00 0.00 O ATOM 1592 CB LEU A 100 -9.629 -5.453 -5.745 1.00 0.00 C ATOM 1593 CG LEU A 100 -10.952 -5.435 -4.979 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -11.702 -6.743 -5.178 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -10.708 -5.177 -3.499 1.00 0.00 C ATOM 0 H LEU A 100 -10.291 -3.660 -7.349 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.837 -3.660 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.821 -5.819 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -8.964 -6.172 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.566 -4.625 -5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.641 -6.712 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.910 -6.886 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.094 -7.570 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.661 -5.168 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.074 -5.965 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.214 -4.213 -3.374 1.00 0.00 H new ATOM 1607 N PHE A 101 -6.525 -4.423 -5.442 1.00 0.00 N ATOM 1608 CA PHE A 101 -5.128 -4.637 -5.802 1.00 0.00 C ATOM 1609 C PHE A 101 -4.542 -5.816 -5.031 1.00 0.00 C ATOM 1610 O PHE A 101 -5.038 -6.184 -3.966 1.00 0.00 O ATOM 1611 CB PHE A 101 -4.309 -3.375 -5.526 1.00 0.00 C ATOM 1612 CG PHE A 101 -4.446 -2.326 -6.593 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -3.632 -2.349 -7.714 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.389 -1.318 -6.475 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.755 -1.385 -8.697 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.517 -0.351 -7.455 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.699 -0.386 -8.568 1.00 0.00 C ATOM 0 H PHE A 101 -6.695 -4.347 -4.439 1.00 0.00 H new ATOM 0 HA PHE A 101 -5.084 -4.864 -6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.619 -2.952 -4.570 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.258 -3.648 -5.428 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.893 -3.129 -7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.032 -1.287 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.113 -1.413 -9.565 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.255 0.430 -7.351 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.798 0.367 -9.336 1.00 0.00 H new ATOM 1627 N ARG A 102 -3.483 -6.405 -5.578 1.00 0.00 N ATOM 1628 CA ARG A 102 -2.830 -7.544 -4.943 1.00 0.00 C ATOM 1629 C ARG A 102 -1.312 -7.387 -4.976 1.00 0.00 C ATOM 1630 O ARG A 102 -0.789 -6.424 -5.537 1.00 0.00 O ATOM 1631 CB ARG A 102 -3.235 -8.844 -5.640 1.00 0.00 C ATOM 1632 CG ARG A 102 -2.770 -8.931 -7.084 1.00 0.00 C ATOM 1633 CD ARG A 102 -3.474 -10.055 -7.829 1.00 0.00 C ATOM 1634 NE ARG A 102 -2.745 -11.317 -7.731 1.00 0.00 N ATOM 1635 CZ ARG A 102 -2.886 -12.171 -6.723 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -3.725 -11.900 -5.733 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -2.188 -13.299 -6.706 1.00 0.00 N ATOM 0 H ARG A 102 -3.059 -6.113 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.152 -7.583 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.826 -9.687 -5.084 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.320 -8.939 -5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -2.962 -7.983 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -1.693 -9.094 -7.111 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.478 -10.184 -7.425 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.585 -9.781 -8.878 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.092 -11.556 -8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.264 -11.034 -5.744 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.831 -12.557 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -1.543 -13.511 -7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -2.297 -13.954 -5.932 1.00 0.00 H new ATOM 1651 N PHE A 103 -0.611 -8.340 -4.371 1.00 0.00 N ATOM 1652 CA PHE A 103 0.846 -8.308 -4.330 1.00 0.00 C ATOM 1653 C PHE A 103 1.438 -9.515 -5.053 1.00 0.00 C ATOM 1654 O PHE A 103 0.935 -10.635 -4.958 1.00 0.00 O ATOM 1655 CB PHE A 103 1.335 -8.277 -2.881 1.00 0.00 C ATOM 1656 CG PHE A 103 2.661 -7.591 -2.710 1.00 0.00 C ATOM 1657 CD1 PHE A 103 2.726 -6.224 -2.495 1.00 0.00 C ATOM 1658 CD2 PHE A 103 3.842 -8.314 -2.766 1.00 0.00 C ATOM 1659 CE1 PHE A 103 3.944 -5.590 -2.337 1.00 0.00 C ATOM 1660 CE2 PHE A 103 5.063 -7.686 -2.608 1.00 0.00 C ATOM 1661 CZ PHE A 103 5.114 -6.322 -2.395 1.00 0.00 C ATOM 0 H PHE A 103 -1.028 -9.144 -3.902 1.00 0.00 H new ATOM 0 HA PHE A 103 1.179 -7.403 -4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 103 0.591 -7.771 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.413 -9.299 -2.510 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.814 -5.647 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 103 3.808 -9.380 -2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 103 3.981 -4.524 -2.168 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.976 -8.261 -2.651 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.067 -5.829 -2.274 1.00 0.00 H new ATOM 1671 N PRO A 104 2.531 -9.282 -5.794 1.00 0.00 N ATOM 1672 CA PRO A 104 3.215 -10.337 -6.548 1.00 0.00 C ATOM 1673 C PRO A 104 3.925 -11.333 -5.638 1.00 0.00 C ATOM 1674 O PRO A 104 4.197 -11.040 -4.474 1.00 0.00 O ATOM 1675 CB PRO A 104 4.232 -9.566 -7.393 1.00 0.00 C ATOM 1676 CG PRO A 104 4.482 -8.309 -6.632 1.00 0.00 C ATOM 1677 CD PRO A 104 3.184 -7.972 -5.953 1.00 0.00 C ATOM 0 HA PRO A 104 2.518 -10.935 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.151 -10.138 -7.526 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.841 -9.355 -8.388 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.280 -8.447 -5.902 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.794 -7.505 -7.298 1.00 0.00 H new ATOM 0 HD2 PRO A 104 3.348 -7.486 -4.991 1.00 0.00 H new ATOM 0 HD3 PRO A 104 2.580 -7.293 -6.555 1.00 0.00 H new ATOM 1685 N ALA A 105 4.222 -12.511 -6.175 1.00 0.00 N ATOM 1686 CA ALA A 105 4.903 -13.550 -5.412 1.00 0.00 C ATOM 1687 C ALA A 105 6.390 -13.245 -5.274 1.00 0.00 C ATOM 1688 O ALA A 105 7.005 -12.682 -6.182 1.00 0.00 O ATOM 1689 CB ALA A 105 4.699 -14.907 -6.068 1.00 0.00 C ATOM 0 H ALA A 105 4.002 -12.770 -7.137 1.00 0.00 H new ATOM 0 HA ALA A 105 4.470 -13.574 -4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.213 -15.673 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.634 -15.136 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.104 -14.886 -7.080 1.00 0.00 H new TER 1695 ALA A 105