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 30 HIS : no HD1:sc= 0.108 K(o=-0.84,f=-2.9!) USER MOD Set 1.2: A 37 TYR OH : rot 180:sc= -0.95 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 15 ASN : amide:sc= -0.0706 K(o=-0.071,f=-0.66) 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -26:sc= 0.857 USER MOD Single : A 19 THR OG1 : rot 80:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0225) USER MOD Single : A 32 GLN : amide:sc= -5.28! C(o=-5.3!,f=-15!) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0.345 (180deg=0.29) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -1.04 K(o=-1,f=-4.9!) USER MOD Single : A 40 CYS SG : rot 8:sc= -0.169 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 57 ASN : amide:sc= -1.74 K(o=-1.7,f=-2.5) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN :FLIP amide:sc= 0.872 F(o=-0.67,f=0.87) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0773 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 68 GLN : amide:sc= -0.332 X(o=-0.33,f=-0.33) USER MOD Single : A 69 THR OG1 : rot -90:sc= -0.104 USER MOD Single : A 71 GLN : amide:sc= -0.0965 K(o=-0.096,f=-0.93) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.00929 (180deg=-0.157) USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= -2.45! (180deg=-3.1) USER MOD Single : A 79 ASN : amide:sc= 0.487 X(o=0.49,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-4.1!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 97 ASN : amide:sc= -0.778 X(o=-0.78,f=-1.2) USER MOD Single : A 98 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.72) USER MOD Single : A 99 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.169 2.062 -6.114 1.00 0.00 N ATOM 2 CA GLY A 1 36.747 2.160 -5.840 1.00 0.00 C ATOM 3 C GLY A 1 36.258 1.060 -4.918 1.00 0.00 C ATOM 4 O GLY A 1 35.478 0.201 -5.325 1.00 0.00 O ATOM 0 H1 GLY A 1 38.454 2.835 -6.748 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.700 2.131 -5.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.373 1.149 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.533 3.129 -5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.195 2.115 -6.779 1.00 0.00 H new ATOM 8 N SER A 2 36.719 1.087 -3.671 1.00 0.00 N ATOM 9 CA SER A 2 36.328 0.081 -2.690 1.00 0.00 C ATOM 10 C SER A 2 34.879 -0.347 -2.899 1.00 0.00 C ATOM 11 O SER A 2 34.558 -1.534 -2.853 1.00 0.00 O ATOM 12 CB SER A 2 36.512 0.624 -1.271 1.00 0.00 C ATOM 13 OG SER A 2 37.883 0.661 -0.913 1.00 0.00 O ATOM 0 H SER A 2 37.363 1.794 -3.317 1.00 0.00 H new ATOM 0 HA SER A 2 36.969 -0.791 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.088 1.626 -1.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.965 -0.001 -0.565 1.00 0.00 H new ATOM 0 HG SER A 2 37.974 1.013 -0.003 1.00 0.00 H new ATOM 19 N SER A 3 34.007 0.630 -3.129 1.00 0.00 N ATOM 20 CA SER A 3 32.591 0.356 -3.342 1.00 0.00 C ATOM 21 C SER A 3 32.150 0.821 -4.726 1.00 0.00 C ATOM 22 O SER A 3 32.703 1.769 -5.281 1.00 0.00 O ATOM 23 CB SER A 3 31.749 1.047 -2.267 1.00 0.00 C ATOM 24 OG SER A 3 30.366 0.836 -2.488 1.00 0.00 O ATOM 0 H SER A 3 34.257 1.618 -3.173 1.00 0.00 H new ATOM 0 HA SER A 3 32.440 -0.721 -3.275 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.025 0.666 -1.284 1.00 0.00 H new ATOM 0 HB3 SER A 3 31.961 2.116 -2.266 1.00 0.00 H new ATOM 0 HG SER A 3 29.850 1.286 -1.787 1.00 0.00 H new ATOM 30 N GLY A 4 31.147 0.145 -5.279 1.00 0.00 N ATOM 31 CA GLY A 4 30.647 0.502 -6.594 1.00 0.00 C ATOM 32 C GLY A 4 29.146 0.709 -6.607 1.00 0.00 C ATOM 33 O GLY A 4 28.454 0.227 -7.503 1.00 0.00 O ATOM 0 H GLY A 4 30.672 -0.643 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 4 31.139 1.414 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 30.909 -0.283 -7.304 1.00 0.00 H new ATOM 37 N SER A 5 28.641 1.427 -5.609 1.00 0.00 N ATOM 38 CA SER A 5 27.211 1.693 -5.506 1.00 0.00 C ATOM 39 C SER A 5 26.950 2.958 -4.694 1.00 0.00 C ATOM 40 O SER A 5 27.781 3.372 -3.886 1.00 0.00 O ATOM 41 CB SER A 5 26.495 0.504 -4.863 1.00 0.00 C ATOM 42 OG SER A 5 26.938 0.300 -3.533 1.00 0.00 O ATOM 0 H SER A 5 29.201 1.835 -4.860 1.00 0.00 H new ATOM 0 HA SER A 5 26.821 1.842 -6.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.419 0.677 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.676 -0.395 -5.452 1.00 0.00 H new ATOM 0 HG SER A 5 26.464 -0.464 -3.144 1.00 0.00 H new ATOM 48 N SER A 6 25.789 3.567 -4.915 1.00 0.00 N ATOM 49 CA SER A 6 25.419 4.787 -4.207 1.00 0.00 C ATOM 50 C SER A 6 24.043 4.646 -3.565 1.00 0.00 C ATOM 51 O SER A 6 23.373 3.626 -3.723 1.00 0.00 O ATOM 52 CB SER A 6 25.428 5.980 -5.165 1.00 0.00 C ATOM 53 OG SER A 6 26.752 6.350 -5.507 1.00 0.00 O ATOM 0 H SER A 6 25.089 3.236 -5.578 1.00 0.00 H new ATOM 0 HA SER A 6 26.152 4.957 -3.419 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.872 5.729 -6.069 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.919 6.826 -4.702 1.00 0.00 H new ATOM 0 HG SER A 6 26.730 7.113 -6.121 1.00 0.00 H new ATOM 59 N GLY A 7 23.627 5.679 -2.838 1.00 0.00 N ATOM 60 CA GLY A 7 22.333 5.651 -2.182 1.00 0.00 C ATOM 61 C GLY A 7 22.243 4.571 -1.122 1.00 0.00 C ATOM 62 O GLY A 7 21.707 3.491 -1.371 1.00 0.00 O ATOM 0 H GLY A 7 24.163 6.534 -2.692 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.140 6.621 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.555 5.490 -2.928 1.00 0.00 H new ATOM 66 N TYR A 8 22.770 4.861 0.062 1.00 0.00 N ATOM 67 CA TYR A 8 22.751 3.905 1.162 1.00 0.00 C ATOM 68 C TYR A 8 21.485 4.061 1.998 1.00 0.00 C ATOM 69 O TYR A 8 20.745 3.100 2.209 1.00 0.00 O ATOM 70 CB TYR A 8 23.985 4.089 2.047 1.00 0.00 C ATOM 71 CG TYR A 8 24.281 2.897 2.929 1.00 0.00 C ATOM 72 CD1 TYR A 8 24.556 1.651 2.377 1.00 0.00 C ATOM 73 CD2 TYR A 8 24.285 3.015 4.313 1.00 0.00 C ATOM 74 CE1 TYR A 8 24.826 0.559 3.179 1.00 0.00 C ATOM 75 CE2 TYR A 8 24.556 1.929 5.122 1.00 0.00 C ATOM 76 CZ TYR A 8 24.826 0.703 4.550 1.00 0.00 C ATOM 77 OH TYR A 8 25.094 -0.382 5.353 1.00 0.00 O ATOM 0 H TYR A 8 23.216 5.751 0.285 1.00 0.00 H new ATOM 0 HA TYR A 8 22.763 2.901 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 8 24.850 4.285 1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 8 23.844 4.969 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.559 1.535 1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 8 24.072 3.973 4.764 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.036 -0.402 2.734 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.557 2.039 6.196 1.00 0.00 H new ATOM 0 HH TYR A 8 25.055 -0.110 6.294 1.00 0.00 H new ATOM 87 N ARG A 9 21.242 5.279 2.470 1.00 0.00 N ATOM 88 CA ARG A 9 20.066 5.563 3.283 1.00 0.00 C ATOM 89 C ARG A 9 18.850 5.840 2.403 1.00 0.00 C ATOM 90 O ARG A 9 17.761 5.325 2.652 1.00 0.00 O ATOM 91 CB ARG A 9 20.329 6.760 4.199 1.00 0.00 C ATOM 92 CG ARG A 9 21.500 6.556 5.146 1.00 0.00 C ATOM 93 CD ARG A 9 21.519 7.608 6.244 1.00 0.00 C ATOM 94 NE ARG A 9 21.945 8.913 5.744 1.00 0.00 N ATOM 95 CZ ARG A 9 22.485 9.852 6.512 1.00 0.00 C ATOM 96 NH1 ARG A 9 22.666 9.633 7.807 1.00 0.00 N ATOM 97 NH2 ARG A 9 22.848 11.015 5.984 1.00 0.00 N ATOM 0 H ARG A 9 21.844 6.085 2.303 1.00 0.00 H new ATOM 0 HA ARG A 9 19.858 4.685 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 9 20.518 7.641 3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 9 19.432 6.964 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 9 21.439 5.564 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 9 22.434 6.597 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.524 7.694 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 9 22.190 7.288 7.041 1.00 0.00 H new ATOM 0 HE ARG A 9 21.821 9.114 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 9 22.390 8.741 8.217 1.00 0.00 H new ATOM 0 HH12 ARG A 9 23.081 10.357 8.394 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.712 11.187 4.988 1.00 0.00 H new ATOM 0 HH22 ARG A 9 23.263 11.736 6.574 1.00 0.00 H new ATOM 111 N ALA A 10 19.045 6.658 1.374 1.00 0.00 N ATOM 112 CA ALA A 10 17.966 7.003 0.457 1.00 0.00 C ATOM 113 C ALA A 10 17.094 5.789 0.155 1.00 0.00 C ATOM 114 O ALA A 10 15.879 5.818 0.358 1.00 0.00 O ATOM 115 CB ALA A 10 18.533 7.581 -0.832 1.00 0.00 C ATOM 0 H ALA A 10 19.941 7.094 1.155 1.00 0.00 H new ATOM 0 HA ALA A 10 17.342 7.757 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.716 7.834 -1.508 1.00 0.00 H new ATOM 0 HB2 ALA A 10 19.108 8.479 -0.606 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.181 6.845 -1.307 1.00 0.00 H new ATOM 121 N THR A 11 17.720 4.722 -0.331 1.00 0.00 N ATOM 122 CA THR A 11 17.000 3.498 -0.662 1.00 0.00 C ATOM 123 C THR A 11 16.501 2.796 0.595 1.00 0.00 C ATOM 124 O THR A 11 15.393 2.259 0.621 1.00 0.00 O ATOM 125 CB THR A 11 17.886 2.525 -1.463 1.00 0.00 C ATOM 126 OG1 THR A 11 17.173 1.309 -1.716 1.00 0.00 O ATOM 127 CG2 THR A 11 19.171 2.217 -0.708 1.00 0.00 C ATOM 0 H THR A 11 18.724 4.680 -0.504 1.00 0.00 H new ATOM 0 HA THR A 11 16.147 3.789 -1.274 1.00 0.00 H new ATOM 0 HB THR A 11 18.144 2.999 -2.410 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.742 0.696 -2.227 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.780 1.528 -1.293 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.726 3.141 -0.542 1.00 0.00 H new ATOM 0 HG23 THR A 11 18.929 1.761 0.252 1.00 0.00 H new ATOM 135 N LYS A 12 17.324 2.804 1.638 1.00 0.00 N ATOM 136 CA LYS A 12 16.966 2.170 2.901 1.00 0.00 C ATOM 137 C LYS A 12 15.531 2.509 3.293 1.00 0.00 C ATOM 138 O LYS A 12 14.860 1.728 3.968 1.00 0.00 O ATOM 139 CB LYS A 12 17.926 2.613 4.008 1.00 0.00 C ATOM 140 CG LYS A 12 17.651 1.956 5.350 1.00 0.00 C ATOM 141 CD LYS A 12 18.718 2.309 6.372 1.00 0.00 C ATOM 142 CE LYS A 12 18.574 3.744 6.855 1.00 0.00 C ATOM 143 NZ LYS A 12 17.540 3.871 7.919 1.00 0.00 N ATOM 0 H LYS A 12 18.245 3.243 1.633 1.00 0.00 H new ATOM 0 HA LYS A 12 17.043 1.091 2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.948 2.385 3.704 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.861 3.695 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 12 16.675 2.272 5.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.609 0.874 5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.649 1.629 7.221 1.00 0.00 H new ATOM 0 HD3 LYS A 12 19.705 2.169 5.932 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.532 4.097 7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.310 4.385 6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.473 4.864 8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.620 3.559 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.804 3.279 8.732 1.00 0.00 H new ATOM 157 N LEU A 13 15.066 3.677 2.863 1.00 0.00 N ATOM 158 CA LEU A 13 13.709 4.119 3.168 1.00 0.00 C ATOM 159 C LEU A 13 12.687 3.352 2.335 1.00 0.00 C ATOM 160 O LEU A 13 11.795 2.699 2.876 1.00 0.00 O ATOM 161 CB LEU A 13 13.571 5.620 2.910 1.00 0.00 C ATOM 162 CG LEU A 13 14.233 6.541 3.936 1.00 0.00 C ATOM 163 CD1 LEU A 13 14.646 7.853 3.287 1.00 0.00 C ATOM 164 CD2 LEU A 13 13.297 6.795 5.108 1.00 0.00 C ATOM 0 H LEU A 13 15.608 4.335 2.303 1.00 0.00 H new ATOM 0 HA LEU A 13 13.516 3.918 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.992 5.840 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.510 5.864 2.863 1.00 0.00 H new ATOM 0 HG LEU A 13 15.129 6.048 4.313 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.115 8.496 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 13 15.354 7.654 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.766 8.351 2.881 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.785 7.452 5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.383 7.267 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.052 5.848 5.589 1.00 0.00 H new ATOM 176 N TRP A 14 12.825 3.435 1.016 1.00 0.00 N ATOM 177 CA TRP A 14 11.914 2.747 0.108 1.00 0.00 C ATOM 178 C TRP A 14 11.787 1.273 0.478 1.00 0.00 C ATOM 179 O TRP A 14 10.693 0.712 0.461 1.00 0.00 O ATOM 180 CB TRP A 14 12.402 2.882 -1.335 1.00 0.00 C ATOM 181 CG TRP A 14 11.632 2.037 -2.304 1.00 0.00 C ATOM 182 CD1 TRP A 14 12.023 0.844 -2.842 1.00 0.00 C ATOM 183 CD2 TRP A 14 10.339 2.321 -2.851 1.00 0.00 C ATOM 184 NE1 TRP A 14 11.052 0.370 -3.690 1.00 0.00 N ATOM 185 CE2 TRP A 14 10.008 1.257 -3.713 1.00 0.00 C ATOM 186 CE3 TRP A 14 9.429 3.370 -2.695 1.00 0.00 C ATOM 187 CZ2 TRP A 14 8.807 1.215 -4.415 1.00 0.00 C ATOM 188 CZ3 TRP A 14 8.237 3.326 -3.393 1.00 0.00 C ATOM 189 CH2 TRP A 14 7.934 2.255 -4.243 1.00 0.00 C ATOM 0 H TRP A 14 13.558 3.971 0.552 1.00 0.00 H new ATOM 0 HA TRP A 14 10.932 3.211 0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 14 12.331 3.926 -1.639 1.00 0.00 H new ATOM 0 HB3 TRP A 14 13.456 2.607 -1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 14 12.958 0.347 -2.632 1.00 0.00 H new ATOM 0 HE1 TRP A 14 11.100 -0.502 -4.217 1.00 0.00 H new ATOM 0 HE3 TRP A 14 9.653 4.200 -2.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 8.572 0.391 -5.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.527 4.132 -3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 14 6.993 2.250 -4.773 1.00 0.00 H new ATOM 200 N ASN A 15 12.914 0.652 0.814 1.00 0.00 N ATOM 201 CA ASN A 15 12.927 -0.758 1.188 1.00 0.00 C ATOM 202 C ASN A 15 12.130 -0.988 2.468 1.00 0.00 C ATOM 203 O ASN A 15 11.219 -1.815 2.503 1.00 0.00 O ATOM 204 CB ASN A 15 14.366 -1.243 1.375 1.00 0.00 C ATOM 205 CG ASN A 15 14.978 -1.749 0.083 1.00 0.00 C ATOM 206 OD1 ASN A 15 14.331 -2.459 -0.687 1.00 0.00 O ATOM 207 ND2 ASN A 15 16.231 -1.384 -0.160 1.00 0.00 N ATOM 0 H ASN A 15 13.829 1.103 0.835 1.00 0.00 H new ATOM 0 HA ASN A 15 12.460 -1.327 0.384 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.974 -0.427 1.767 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.384 -2.039 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 15 16.696 -1.693 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.729 -0.794 0.507 1.00 0.00 H new ATOM 214 N GLU A 16 12.480 -0.251 3.517 1.00 0.00 N ATOM 215 CA GLU A 16 11.797 -0.376 4.800 1.00 0.00 C ATOM 216 C GLU A 16 10.291 -0.195 4.634 1.00 0.00 C ATOM 217 O GLU A 16 9.498 -0.975 5.162 1.00 0.00 O ATOM 218 CB GLU A 16 12.338 0.654 5.794 1.00 0.00 C ATOM 219 CG GLU A 16 12.171 0.243 7.247 1.00 0.00 C ATOM 220 CD GLU A 16 12.242 1.422 8.198 1.00 0.00 C ATOM 221 OE1 GLU A 16 13.202 2.213 8.093 1.00 0.00 O ATOM 222 OE2 GLU A 16 11.335 1.553 9.048 1.00 0.00 O ATOM 0 H GLU A 16 13.232 0.438 3.504 1.00 0.00 H new ATOM 0 HA GLU A 16 11.986 -1.378 5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.396 0.821 5.592 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.829 1.604 5.633 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.213 -0.261 7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.946 -0.477 7.508 1.00 0.00 H new ATOM 229 N VAL A 17 9.902 0.841 3.896 1.00 0.00 N ATOM 230 CA VAL A 17 8.492 1.125 3.659 1.00 0.00 C ATOM 231 C VAL A 17 7.808 -0.039 2.951 1.00 0.00 C ATOM 232 O VAL A 17 6.895 -0.661 3.494 1.00 0.00 O ATOM 233 CB VAL A 17 8.311 2.402 2.817 1.00 0.00 C ATOM 234 CG1 VAL A 17 6.872 2.527 2.339 1.00 0.00 C ATOM 235 CG2 VAL A 17 8.724 3.629 3.616 1.00 0.00 C ATOM 0 H VAL A 17 10.544 1.497 3.452 1.00 0.00 H new ATOM 0 HA VAL A 17 8.031 1.274 4.635 1.00 0.00 H new ATOM 0 HB VAL A 17 8.955 2.333 1.940 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.763 3.435 1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.615 1.662 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.205 2.574 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.590 4.522 3.006 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.107 3.705 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.772 3.540 3.904 1.00 0.00 H new ATOM 245 N THR A 18 8.257 -0.329 1.733 1.00 0.00 N ATOM 246 CA THR A 18 7.688 -1.418 0.949 1.00 0.00 C ATOM 247 C THR A 18 7.486 -2.664 1.804 1.00 0.00 C ATOM 248 O THR A 18 6.467 -3.347 1.695 1.00 0.00 O ATOM 249 CB THR A 18 8.585 -1.773 -0.252 1.00 0.00 C ATOM 250 OG1 THR A 18 9.888 -2.153 0.205 1.00 0.00 O ATOM 251 CG2 THR A 18 8.700 -0.596 -1.208 1.00 0.00 C ATOM 0 H THR A 18 9.013 0.175 1.269 1.00 0.00 H new ATOM 0 HA THR A 18 6.722 -1.072 0.582 1.00 0.00 H new ATOM 0 HB THR A 18 8.129 -2.608 -0.783 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.065 -1.735 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.338 -0.871 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.710 -0.329 -1.577 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.135 0.256 -0.685 1.00 0.00 H new ATOM 259 N THR A 19 8.463 -2.956 2.657 1.00 0.00 N ATOM 260 CA THR A 19 8.393 -4.121 3.530 1.00 0.00 C ATOM 261 C THR A 19 7.225 -4.008 4.503 1.00 0.00 C ATOM 262 O THR A 19 6.335 -4.859 4.521 1.00 0.00 O ATOM 263 CB THR A 19 9.697 -4.303 4.331 1.00 0.00 C ATOM 264 OG1 THR A 19 10.816 -4.346 3.439 1.00 0.00 O ATOM 265 CG2 THR A 19 9.650 -5.578 5.158 1.00 0.00 C ATOM 0 H THR A 19 9.312 -2.401 2.762 1.00 0.00 H new ATOM 0 HA THR A 19 8.246 -4.989 2.887 1.00 0.00 H new ATOM 0 HB THR A 19 9.805 -3.455 5.008 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.056 -3.434 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.581 -5.685 5.715 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.814 -5.529 5.855 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.521 -6.436 4.498 1.00 0.00 H new ATOM 273 N SER A 20 7.233 -2.953 5.311 1.00 0.00 N ATOM 274 CA SER A 20 6.174 -2.731 6.289 1.00 0.00 C ATOM 275 C SER A 20 4.799 -2.865 5.642 1.00 0.00 C ATOM 276 O SER A 20 3.926 -3.567 6.153 1.00 0.00 O ATOM 277 CB SER A 20 6.319 -1.346 6.923 1.00 0.00 C ATOM 278 OG SER A 20 7.202 -1.381 8.031 1.00 0.00 O ATOM 0 H SER A 20 7.961 -2.238 5.308 1.00 0.00 H new ATOM 0 HA SER A 20 6.266 -3.490 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.691 -0.640 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.342 -0.986 7.244 1.00 0.00 H new ATOM 0 HG SER A 20 7.278 -0.483 8.417 1.00 0.00 H new ATOM 284 N PHE A 21 4.614 -2.187 4.514 1.00 0.00 N ATOM 285 CA PHE A 21 3.346 -2.229 3.796 1.00 0.00 C ATOM 286 C PHE A 21 2.849 -3.665 3.652 1.00 0.00 C ATOM 287 O PHE A 21 1.784 -4.018 4.157 1.00 0.00 O ATOM 288 CB PHE A 21 3.496 -1.588 2.415 1.00 0.00 C ATOM 289 CG PHE A 21 2.319 -1.826 1.513 1.00 0.00 C ATOM 290 CD1 PHE A 21 2.194 -3.016 0.814 1.00 0.00 C ATOM 291 CD2 PHE A 21 1.337 -0.859 1.363 1.00 0.00 C ATOM 292 CE1 PHE A 21 1.111 -3.238 -0.017 1.00 0.00 C ATOM 293 CE2 PHE A 21 0.253 -1.076 0.534 1.00 0.00 C ATOM 294 CZ PHE A 21 0.140 -2.266 -0.157 1.00 0.00 C ATOM 0 H PHE A 21 5.326 -1.602 4.078 1.00 0.00 H new ATOM 0 HA PHE A 21 2.612 -1.666 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 21 3.640 -0.514 2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.395 -1.979 1.937 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.951 -3.779 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.420 0.074 1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.025 -4.170 -0.556 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.506 -0.315 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.706 -2.436 -0.806 1.00 0.00 H new ATOM 304 N ARG A 22 3.630 -4.488 2.959 1.00 0.00 N ATOM 305 CA ARG A 22 3.270 -5.884 2.747 1.00 0.00 C ATOM 306 C ARG A 22 2.930 -6.565 4.069 1.00 0.00 C ATOM 307 O ARG A 22 1.790 -6.968 4.297 1.00 0.00 O ATOM 308 CB ARG A 22 4.414 -6.629 2.057 1.00 0.00 C ATOM 309 CG ARG A 22 3.950 -7.776 1.175 1.00 0.00 C ATOM 310 CD ARG A 22 3.486 -8.964 2.004 1.00 0.00 C ATOM 311 NE ARG A 22 4.567 -9.524 2.810 1.00 0.00 N ATOM 312 CZ ARG A 22 4.394 -10.500 3.694 1.00 0.00 C ATOM 313 NH1 ARG A 22 3.190 -11.021 3.885 1.00 0.00 N ATOM 314 NH2 ARG A 22 5.428 -10.957 4.390 1.00 0.00 N ATOM 0 H ARG A 22 4.516 -4.212 2.535 1.00 0.00 H new ATOM 0 HA ARG A 22 2.389 -5.912 2.106 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.983 -5.923 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.093 -7.017 2.816 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.135 -7.437 0.535 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.764 -8.084 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.670 -8.654 2.657 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.090 -9.735 1.343 1.00 0.00 H new ATOM 0 HE ARG A 22 5.506 -9.145 2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.393 -10.672 3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.061 -11.770 4.565 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.356 -10.559 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 5.295 -11.707 5.069 1.00 0.00 H new ATOM 328 N ALA A 23 3.929 -6.692 4.938 1.00 0.00 N ATOM 329 CA ALA A 23 3.735 -7.322 6.237 1.00 0.00 C ATOM 330 C ALA A 23 2.545 -6.714 6.971 1.00 0.00 C ATOM 331 O ALA A 23 1.910 -7.371 7.795 1.00 0.00 O ATOM 332 CB ALA A 23 4.997 -7.196 7.078 1.00 0.00 C ATOM 0 H ALA A 23 4.880 -6.367 4.765 1.00 0.00 H new ATOM 0 HA ALA A 23 3.525 -8.379 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.838 -7.671 8.046 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.826 -7.685 6.566 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.232 -6.142 7.225 1.00 0.00 H new ATOM 338 N GLY A 24 2.249 -5.454 6.667 1.00 0.00 N ATOM 339 CA GLY A 24 1.136 -4.778 7.308 1.00 0.00 C ATOM 340 C GLY A 24 -0.039 -5.703 7.555 1.00 0.00 C ATOM 341 O GLY A 24 -0.168 -6.279 8.635 1.00 0.00 O ATOM 0 H GLY A 24 2.760 -4.889 5.988 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.468 -4.357 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.813 -3.944 6.684 1.00 0.00 H new ATOM 345 N MET A 25 -0.900 -5.845 6.552 1.00 0.00 N ATOM 346 CA MET A 25 -2.071 -6.707 6.667 1.00 0.00 C ATOM 347 C MET A 25 -2.045 -7.803 5.607 1.00 0.00 C ATOM 348 O MET A 25 -1.781 -7.556 4.430 1.00 0.00 O ATOM 349 CB MET A 25 -3.352 -5.882 6.533 1.00 0.00 C ATOM 350 CG MET A 25 -3.578 -5.332 5.133 1.00 0.00 C ATOM 351 SD MET A 25 -4.672 -3.900 5.117 1.00 0.00 S ATOM 352 CE MET A 25 -6.265 -4.693 4.913 1.00 0.00 C ATOM 0 H MET A 25 -0.809 -5.375 5.651 1.00 0.00 H new ATOM 0 HA MET A 25 -2.051 -7.177 7.650 1.00 0.00 H new ATOM 0 HB2 MET A 25 -4.204 -6.501 6.813 1.00 0.00 H new ATOM 0 HB3 MET A 25 -3.315 -5.052 7.239 1.00 0.00 H new ATOM 0 HG2 MET A 25 -2.618 -5.056 4.696 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.001 -6.115 4.503 1.00 0.00 H new ATOM 0 HE1 MET A 25 -7.052 -3.940 4.938 1.00 0.00 H new ATOM 0 HE2 MET A 25 -6.292 -5.214 3.956 1.00 0.00 H new ATOM 0 HE3 MET A 25 -6.421 -5.408 5.720 1.00 0.00 H new ATOM 362 N PRO A 26 -2.324 -9.045 6.032 1.00 0.00 N ATOM 363 CA PRO A 26 -2.339 -10.204 5.134 1.00 0.00 C ATOM 364 C PRO A 26 -3.512 -10.167 4.160 1.00 0.00 C ATOM 365 O PRO A 26 -4.324 -9.242 4.185 1.00 0.00 O ATOM 366 CB PRO A 26 -2.475 -11.391 6.090 1.00 0.00 C ATOM 367 CG PRO A 26 -3.138 -10.829 7.301 1.00 0.00 C ATOM 368 CD PRO A 26 -2.648 -9.412 7.420 1.00 0.00 C ATOM 0 HA PRO A 26 -1.449 -10.245 4.506 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -3.071 -12.189 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.502 -11.817 6.333 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -4.223 -10.860 7.202 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -2.882 -11.406 8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.411 -8.757 7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.775 -9.342 8.068 1.00 0.00 H new ATOM 376 N LEU A 27 -3.594 -11.179 3.303 1.00 0.00 N ATOM 377 CA LEU A 27 -4.669 -11.263 2.320 1.00 0.00 C ATOM 378 C LEU A 27 -5.889 -11.965 2.906 1.00 0.00 C ATOM 379 O LEU A 27 -5.822 -13.134 3.285 1.00 0.00 O ATOM 380 CB LEU A 27 -4.188 -12.007 1.072 1.00 0.00 C ATOM 381 CG LEU A 27 -4.947 -11.709 -0.221 1.00 0.00 C ATOM 382 CD1 LEU A 27 -4.744 -10.260 -0.638 1.00 0.00 C ATOM 383 CD2 LEU A 27 -4.503 -12.652 -1.330 1.00 0.00 C ATOM 0 H LEU A 27 -2.930 -11.952 3.269 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.955 -10.248 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.136 -11.770 0.915 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.248 -13.078 1.266 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.010 -11.868 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.292 -10.067 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.112 -9.600 0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.682 -10.073 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.054 -12.425 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.435 -12.525 -1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.701 -13.682 -1.033 1.00 0.00 H new ATOM 395 N ARG A 28 -7.004 -11.245 2.974 1.00 0.00 N ATOM 396 CA ARG A 28 -8.240 -11.799 3.513 1.00 0.00 C ATOM 397 C ARG A 28 -9.370 -11.701 2.492 1.00 0.00 C ATOM 398 O ARG A 28 -9.434 -10.753 1.710 1.00 0.00 O ATOM 399 CB ARG A 28 -8.634 -11.069 4.798 1.00 0.00 C ATOM 400 CG ARG A 28 -9.921 -11.584 5.421 1.00 0.00 C ATOM 401 CD ARG A 28 -10.189 -10.930 6.768 1.00 0.00 C ATOM 402 NE ARG A 28 -11.099 -11.723 7.590 1.00 0.00 N ATOM 403 CZ ARG A 28 -11.483 -11.370 8.811 1.00 0.00 C ATOM 404 NH1 ARG A 28 -11.039 -10.242 9.349 1.00 0.00 N ATOM 405 NH2 ARG A 28 -12.314 -12.144 9.497 1.00 0.00 N ATOM 0 H ARG A 28 -7.077 -10.276 2.662 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.068 -12.851 3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.826 -11.165 5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.744 -10.006 4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.756 -11.389 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.859 -12.665 5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.247 -10.794 7.299 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.613 -9.938 6.611 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.459 -12.596 7.205 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.401 -9.643 8.825 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.336 -9.973 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.659 -13.012 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.608 -11.871 10.435 1.00 0.00 H new ATOM 419 N LYS A 29 -10.260 -12.688 2.505 1.00 0.00 N ATOM 420 CA LYS A 29 -11.388 -12.714 1.582 1.00 0.00 C ATOM 421 C LYS A 29 -12.240 -11.457 1.729 1.00 0.00 C ATOM 422 O LYS A 29 -12.112 -10.719 2.707 1.00 0.00 O ATOM 423 CB LYS A 29 -12.247 -13.957 1.829 1.00 0.00 C ATOM 424 CG LYS A 29 -11.562 -15.255 1.439 1.00 0.00 C ATOM 425 CD LYS A 29 -12.462 -16.455 1.684 1.00 0.00 C ATOM 426 CE LYS A 29 -11.833 -17.739 1.164 1.00 0.00 C ATOM 427 NZ LYS A 29 -10.615 -18.111 1.936 1.00 0.00 N ATOM 0 H LYS A 29 -10.221 -13.481 3.145 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.994 -12.748 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.515 -14.000 2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.177 -13.863 1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.282 -15.218 0.386 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.640 -15.367 2.010 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.659 -16.552 2.752 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.423 -16.296 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.560 -18.549 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.573 -17.617 0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.254 -19.025 1.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.885 -17.381 1.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.853 -18.187 2.945 1.00 0.00 H new ATOM 441 N HIS A 30 -13.111 -11.221 0.753 1.00 0.00 N ATOM 442 CA HIS A 30 -13.986 -10.054 0.776 1.00 0.00 C ATOM 443 C HIS A 30 -15.448 -10.474 0.898 1.00 0.00 C ATOM 444 O HIS A 30 -15.776 -11.655 0.788 1.00 0.00 O ATOM 445 CB HIS A 30 -13.788 -9.217 -0.488 1.00 0.00 C ATOM 446 CG HIS A 30 -14.036 -7.754 -0.283 1.00 0.00 C ATOM 447 ND1 HIS A 30 -15.282 -7.177 -0.412 1.00 0.00 N ATOM 448 CD2 HIS A 30 -13.190 -6.750 0.045 1.00 0.00 C ATOM 449 CE1 HIS A 30 -15.191 -5.881 -0.173 1.00 0.00 C ATOM 450 NE2 HIS A 30 -13.932 -5.596 0.107 1.00 0.00 N ATOM 0 H HIS A 30 -13.230 -11.822 -0.063 1.00 0.00 H new ATOM 0 HA HIS A 30 -13.725 -9.452 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.770 -9.357 -0.851 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -14.457 -9.585 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -12.129 -6.840 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -16.007 -5.174 -0.202 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.570 -4.670 0.333 1.00 0.00 H new ATOM 458 N ARG A 31 -16.322 -9.498 1.126 1.00 0.00 N ATOM 459 CA ARG A 31 -17.748 -9.767 1.266 1.00 0.00 C ATOM 460 C ARG A 31 -18.309 -10.398 -0.006 1.00 0.00 C ATOM 461 O ARG A 31 -19.327 -11.088 0.030 1.00 0.00 O ATOM 462 CB ARG A 31 -18.503 -8.475 1.583 1.00 0.00 C ATOM 463 CG ARG A 31 -18.427 -8.069 3.046 1.00 0.00 C ATOM 464 CD ARG A 31 -19.178 -9.047 3.935 1.00 0.00 C ATOM 465 NE ARG A 31 -19.155 -8.640 5.338 1.00 0.00 N ATOM 466 CZ ARG A 31 -20.018 -7.780 5.868 1.00 0.00 C ATOM 467 NH1 ARG A 31 -20.967 -7.240 5.116 1.00 0.00 N ATOM 468 NH2 ARG A 31 -19.932 -7.459 7.153 1.00 0.00 N ATOM 0 H ARG A 31 -16.067 -8.515 1.218 1.00 0.00 H new ATOM 0 HA ARG A 31 -17.881 -10.469 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.100 -7.669 0.970 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.549 -8.597 1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.384 -8.020 3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.844 -7.069 3.169 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -20.211 -9.124 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -18.736 -10.038 3.838 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.437 -9.038 5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.036 -7.485 4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -21.628 -6.580 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.203 -7.873 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -20.595 -6.799 7.559 1.00 0.00 H new ATOM 482 N GLN A 32 -17.637 -10.155 -1.127 1.00 0.00 N ATOM 483 CA GLN A 32 -18.070 -10.698 -2.409 1.00 0.00 C ATOM 484 C GLN A 32 -18.195 -12.217 -2.342 1.00 0.00 C ATOM 485 O GLN A 32 -17.197 -12.935 -2.395 1.00 0.00 O ATOM 486 CB GLN A 32 -17.086 -10.304 -3.512 1.00 0.00 C ATOM 487 CG GLN A 32 -17.741 -10.110 -4.870 1.00 0.00 C ATOM 488 CD GLN A 32 -18.547 -11.317 -5.307 1.00 0.00 C ATOM 489 OE1 GLN A 32 -17.997 -12.296 -5.811 1.00 0.00 O ATOM 490 NE2 GLN A 32 -19.860 -11.253 -5.116 1.00 0.00 N ATOM 0 H GLN A 32 -16.792 -9.586 -1.173 1.00 0.00 H new ATOM 0 HA GLN A 32 -19.050 -10.280 -2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.582 -9.381 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.318 -11.073 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -18.392 -9.237 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.972 -9.903 -5.614 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -20.274 -10.422 -4.695 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.454 -12.035 -5.391 1.00 0.00 H new ATOM 499 N HIS A 33 -19.428 -12.699 -2.224 1.00 0.00 N ATOM 500 CA HIS A 33 -19.684 -14.133 -2.150 1.00 0.00 C ATOM 501 C HIS A 33 -19.228 -14.833 -3.427 1.00 0.00 C ATOM 502 O HIS A 33 -18.446 -15.783 -3.382 1.00 0.00 O ATOM 503 CB HIS A 33 -21.172 -14.396 -1.914 1.00 0.00 C ATOM 504 CG HIS A 33 -21.669 -13.884 -0.597 1.00 0.00 C ATOM 505 ND1 HIS A 33 -21.752 -14.670 0.533 1.00 0.00 N ATOM 506 CD2 HIS A 33 -22.108 -12.657 -0.233 1.00 0.00 C ATOM 507 CE1 HIS A 33 -22.223 -13.949 1.534 1.00 0.00 C ATOM 508 NE2 HIS A 33 -22.447 -12.723 1.096 1.00 0.00 N ATOM 0 H HIS A 33 -20.265 -12.118 -2.178 1.00 0.00 H new ATOM 0 HA HIS A 33 -19.114 -14.536 -1.312 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -21.746 -13.931 -2.715 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -21.356 -15.469 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -22.179 -11.787 -0.869 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -22.396 -14.302 2.540 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -22.812 -11.951 1.654 1.00 0.00 H new ATOM 516 N PHE A 34 -19.723 -14.358 -4.566 1.00 0.00 N ATOM 517 CA PHE A 34 -19.369 -14.939 -5.855 1.00 0.00 C ATOM 518 C PHE A 34 -17.853 -15.030 -6.012 1.00 0.00 C ATOM 519 O PHE A 34 -17.101 -14.437 -5.239 1.00 0.00 O ATOM 520 CB PHE A 34 -19.962 -14.107 -6.994 1.00 0.00 C ATOM 521 CG PHE A 34 -20.289 -14.914 -8.218 1.00 0.00 C ATOM 522 CD1 PHE A 34 -21.418 -15.717 -8.253 1.00 0.00 C ATOM 523 CD2 PHE A 34 -19.468 -14.870 -9.333 1.00 0.00 C ATOM 524 CE1 PHE A 34 -21.721 -16.460 -9.378 1.00 0.00 C ATOM 525 CE2 PHE A 34 -19.766 -15.611 -10.461 1.00 0.00 C ATOM 526 CZ PHE A 34 -20.895 -16.407 -10.484 1.00 0.00 C ATOM 0 H PHE A 34 -20.371 -13.572 -4.622 1.00 0.00 H new ATOM 0 HA PHE A 34 -19.783 -15.947 -5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -20.868 -13.615 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -19.257 -13.321 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -22.068 -15.763 -7.392 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -18.584 -14.249 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -22.604 -17.082 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -19.117 -15.568 -11.323 1.00 0.00 H new ATOM 0 HZ PHE A 34 -21.131 -16.986 -11.364 1.00 0.00 H new ATOM 536 N LYS A 35 -17.413 -15.777 -7.019 1.00 0.00 N ATOM 537 CA LYS A 35 -15.988 -15.946 -7.280 1.00 0.00 C ATOM 538 C LYS A 35 -15.501 -14.936 -8.314 1.00 0.00 C ATOM 539 O LYS A 35 -14.426 -15.095 -8.894 1.00 0.00 O ATOM 540 CB LYS A 35 -15.704 -17.369 -7.767 1.00 0.00 C ATOM 541 CG LYS A 35 -15.557 -18.379 -6.643 1.00 0.00 C ATOM 542 CD LYS A 35 -16.897 -18.704 -6.005 1.00 0.00 C ATOM 543 CE LYS A 35 -16.740 -19.096 -4.545 1.00 0.00 C ATOM 544 NZ LYS A 35 -17.984 -18.846 -3.766 1.00 0.00 N ATOM 0 H LYS A 35 -18.023 -16.275 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 35 -15.450 -15.773 -6.348 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -16.512 -17.686 -8.426 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.791 -17.365 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.107 -19.293 -7.031 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.879 -17.986 -5.886 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.556 -17.840 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.373 -19.518 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -16.476 -20.152 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -15.917 -18.534 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -17.910 -19.307 -2.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.112 -17.822 -3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -18.800 -19.234 -4.281 1.00 0.00 H new ATOM 558 N LYS A 36 -16.297 -13.897 -8.540 1.00 0.00 N ATOM 559 CA LYS A 36 -15.946 -12.859 -9.502 1.00 0.00 C ATOM 560 C LYS A 36 -14.479 -12.464 -9.366 1.00 0.00 C ATOM 561 O LYS A 36 -13.798 -12.215 -10.361 1.00 0.00 O ATOM 562 CB LYS A 36 -16.837 -11.630 -9.305 1.00 0.00 C ATOM 563 CG LYS A 36 -17.083 -10.846 -10.582 1.00 0.00 C ATOM 564 CD LYS A 36 -17.806 -9.539 -10.304 1.00 0.00 C ATOM 565 CE LYS A 36 -16.848 -8.469 -9.803 1.00 0.00 C ATOM 566 NZ LYS A 36 -17.421 -7.101 -9.945 1.00 0.00 N ATOM 0 H LYS A 36 -17.190 -13.751 -8.070 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.105 -13.258 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.795 -11.948 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.377 -10.972 -8.568 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.132 -10.639 -11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.673 -11.449 -11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.297 -9.193 -11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.588 -9.705 -9.563 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.610 -8.656 -8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -15.912 -8.530 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.738 -6.400 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.625 -6.912 -10.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.301 -7.034 -9.394 1.00 0.00 H new ATOM 580 N TYR A 37 -13.998 -12.410 -8.129 1.00 0.00 N ATOM 581 CA TYR A 37 -12.612 -12.045 -7.863 1.00 0.00 C ATOM 582 C TYR A 37 -12.149 -12.605 -6.521 1.00 0.00 C ATOM 583 O TYR A 37 -12.909 -12.638 -5.554 1.00 0.00 O ATOM 584 CB TYR A 37 -12.452 -10.524 -7.877 1.00 0.00 C ATOM 585 CG TYR A 37 -13.099 -9.836 -6.695 1.00 0.00 C ATOM 586 CD1 TYR A 37 -12.555 -9.942 -5.421 1.00 0.00 C ATOM 587 CD2 TYR A 37 -14.254 -9.080 -6.854 1.00 0.00 C ATOM 588 CE1 TYR A 37 -13.143 -9.316 -4.340 1.00 0.00 C ATOM 589 CE2 TYR A 37 -14.848 -8.449 -5.778 1.00 0.00 C ATOM 590 CZ TYR A 37 -14.289 -8.571 -4.523 1.00 0.00 C ATOM 591 OH TYR A 37 -14.877 -7.945 -3.448 1.00 0.00 O ATOM 0 H TYR A 37 -14.548 -12.614 -7.295 1.00 0.00 H new ATOM 0 HA TYR A 37 -11.992 -12.476 -8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.390 -10.279 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.884 -10.130 -8.797 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -11.657 -10.524 -5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -14.695 -8.984 -7.835 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.708 -9.409 -3.356 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.745 -7.864 -5.919 1.00 0.00 H new ATOM 0 HH TYR A 37 -15.675 -7.461 -3.748 1.00 0.00 H new ATOM 601 N GLY A 38 -10.895 -13.043 -6.471 1.00 0.00 N ATOM 602 CA GLY A 38 -10.350 -13.595 -5.244 1.00 0.00 C ATOM 603 C GLY A 38 -10.294 -12.575 -4.125 1.00 0.00 C ATOM 604 O GLY A 38 -11.325 -12.066 -3.688 1.00 0.00 O ATOM 0 H GLY A 38 -10.247 -13.026 -7.258 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.958 -14.443 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.347 -13.976 -5.435 1.00 0.00 H new ATOM 608 N ASN A 39 -9.086 -12.276 -3.658 1.00 0.00 N ATOM 609 CA ASN A 39 -8.899 -11.312 -2.581 1.00 0.00 C ATOM 610 C ASN A 39 -8.252 -10.032 -3.102 1.00 0.00 C ATOM 611 O ASN A 39 -7.065 -10.014 -3.430 1.00 0.00 O ATOM 612 CB ASN A 39 -8.038 -11.917 -1.470 1.00 0.00 C ATOM 613 CG ASN A 39 -8.638 -13.188 -0.901 1.00 0.00 C ATOM 614 OD1 ASN A 39 -9.759 -13.565 -1.241 1.00 0.00 O ATOM 615 ND2 ASN A 39 -7.890 -13.856 -0.030 1.00 0.00 N ATOM 0 H ASN A 39 -8.222 -12.688 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.880 -11.063 -2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.043 -12.131 -1.861 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.916 -11.187 -0.670 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.240 -14.719 0.386 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.966 -13.506 0.223 1.00 0.00 H new ATOM 622 N CYS A 40 -9.039 -8.965 -3.175 1.00 0.00 N ATOM 623 CA CYS A 40 -8.543 -7.680 -3.656 1.00 0.00 C ATOM 624 C CYS A 40 -8.927 -6.556 -2.699 1.00 0.00 C ATOM 625 O CYS A 40 -9.794 -6.725 -1.842 1.00 0.00 O ATOM 626 CB CYS A 40 -9.095 -7.388 -5.052 1.00 0.00 C ATOM 627 SG CYS A 40 -8.428 -8.458 -6.348 1.00 0.00 S ATOM 0 H CYS A 40 -10.023 -8.964 -2.907 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.455 -7.734 -3.707 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -10.180 -7.493 -5.031 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.880 -6.350 -5.306 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.705 -9.394 -5.808 1.00 0.00 H new ATOM 633 N PHE A 41 -8.273 -5.409 -2.850 1.00 0.00 N ATOM 634 CA PHE A 41 -8.544 -4.257 -1.997 1.00 0.00 C ATOM 635 C PHE A 41 -8.531 -2.965 -2.809 1.00 0.00 C ATOM 636 O PHE A 41 -7.630 -2.733 -3.615 1.00 0.00 O ATOM 637 CB PHE A 41 -7.510 -4.176 -0.872 1.00 0.00 C ATOM 638 CG PHE A 41 -6.102 -3.997 -1.363 1.00 0.00 C ATOM 639 CD1 PHE A 41 -5.643 -2.750 -1.753 1.00 0.00 C ATOM 640 CD2 PHE A 41 -5.237 -5.078 -1.434 1.00 0.00 C ATOM 641 CE1 PHE A 41 -4.347 -2.582 -2.204 1.00 0.00 C ATOM 642 CE2 PHE A 41 -3.941 -4.916 -1.885 1.00 0.00 C ATOM 643 CZ PHE A 41 -3.496 -3.667 -2.272 1.00 0.00 C ATOM 0 H PHE A 41 -7.552 -5.252 -3.554 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.536 -4.382 -1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.765 -3.345 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -7.565 -5.085 -0.273 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.305 -1.898 -1.704 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.580 -6.057 -1.134 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.001 -1.604 -2.503 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.276 -5.766 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.484 -3.539 -2.627 1.00 0.00 H new ATOM 653 N THR A 42 -9.540 -2.127 -2.590 1.00 0.00 N ATOM 654 CA THR A 42 -9.647 -0.859 -3.301 1.00 0.00 C ATOM 655 C THR A 42 -8.433 0.024 -3.037 1.00 0.00 C ATOM 656 O THR A 42 -7.822 -0.047 -1.972 1.00 0.00 O ATOM 657 CB THR A 42 -10.922 -0.094 -2.896 1.00 0.00 C ATOM 658 OG1 THR A 42 -10.959 0.078 -1.475 1.00 0.00 O ATOM 659 CG2 THR A 42 -12.167 -0.837 -3.355 1.00 0.00 C ATOM 0 H THR A 42 -10.294 -2.304 -1.926 1.00 0.00 H new ATOM 0 HA THR A 42 -9.696 -1.096 -4.364 1.00 0.00 H new ATOM 0 HB THR A 42 -10.903 0.883 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.771 0.566 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.054 -0.278 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.150 -0.941 -4.440 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.190 -1.826 -2.897 1.00 0.00 H new ATOM 667 N ALA A 43 -8.089 0.856 -4.015 1.00 0.00 N ATOM 668 CA ALA A 43 -6.949 1.755 -3.887 1.00 0.00 C ATOM 669 C ALA A 43 -7.095 2.657 -2.666 1.00 0.00 C ATOM 670 O ALA A 43 -6.188 2.754 -1.841 1.00 0.00 O ATOM 671 CB ALA A 43 -6.792 2.592 -5.148 1.00 0.00 C ATOM 0 H ALA A 43 -8.584 0.926 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.053 1.148 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.937 3.259 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.633 1.935 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.694 3.183 -5.307 1.00 0.00 H new ATOM 677 N GLY A 44 -8.245 3.318 -2.558 1.00 0.00 N ATOM 678 CA GLY A 44 -8.488 4.204 -1.435 1.00 0.00 C ATOM 679 C GLY A 44 -7.986 3.631 -0.125 1.00 0.00 C ATOM 680 O GLY A 44 -7.017 4.129 0.447 1.00 0.00 O ATOM 0 H GLY A 44 -9.011 3.255 -3.228 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.001 5.161 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.557 4.400 -1.356 1.00 0.00 H new ATOM 684 N GLU A 45 -8.648 2.582 0.353 1.00 0.00 N ATOM 685 CA GLU A 45 -8.264 1.943 1.606 1.00 0.00 C ATOM 686 C GLU A 45 -6.747 1.947 1.776 1.00 0.00 C ATOM 687 O GLU A 45 -6.225 2.446 2.772 1.00 0.00 O ATOM 688 CB GLU A 45 -8.790 0.507 1.655 1.00 0.00 C ATOM 689 CG GLU A 45 -8.822 -0.083 3.055 1.00 0.00 C ATOM 690 CD GLU A 45 -9.208 -1.549 3.062 1.00 0.00 C ATOM 691 OE1 GLU A 45 -10.391 -1.852 2.799 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.327 -2.393 3.330 1.00 0.00 O ATOM 0 H GLU A 45 -9.452 2.157 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.706 2.512 2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.796 0.483 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.166 -0.121 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.841 0.033 3.516 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.530 0.478 3.665 1.00 0.00 H new ATOM 699 N ALA A 46 -6.047 1.386 0.796 1.00 0.00 N ATOM 700 CA ALA A 46 -4.591 1.325 0.835 1.00 0.00 C ATOM 701 C ALA A 46 -3.998 2.658 1.278 1.00 0.00 C ATOM 702 O ALA A 46 -3.117 2.702 2.137 1.00 0.00 O ATOM 703 CB ALA A 46 -4.042 0.928 -0.527 1.00 0.00 C ATOM 0 H ALA A 46 -6.465 0.967 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.303 0.568 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.954 0.887 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.431 -0.051 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.347 1.664 -1.271 1.00 0.00 H new ATOM 709 N VAL A 47 -4.486 3.744 0.686 1.00 0.00 N ATOM 710 CA VAL A 47 -4.004 5.079 1.020 1.00 0.00 C ATOM 711 C VAL A 47 -3.902 5.264 2.530 1.00 0.00 C ATOM 712 O VAL A 47 -2.940 5.847 3.030 1.00 0.00 O ATOM 713 CB VAL A 47 -4.925 6.169 0.441 1.00 0.00 C ATOM 714 CG1 VAL A 47 -4.409 7.553 0.805 1.00 0.00 C ATOM 715 CG2 VAL A 47 -5.047 6.016 -1.068 1.00 0.00 C ATOM 0 H VAL A 47 -5.215 3.725 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.013 5.178 0.577 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.917 6.052 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.073 8.310 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.378 7.656 1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.406 7.686 0.399 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.701 6.794 -1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.061 6.107 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.466 5.037 -1.302 1.00 0.00 H new ATOM 725 N ASP A 48 -4.900 4.765 3.250 1.00 0.00 N ATOM 726 CA ASP A 48 -4.922 4.874 4.704 1.00 0.00 C ATOM 727 C ASP A 48 -3.821 4.024 5.330 1.00 0.00 C ATOM 728 O ASP A 48 -3.025 4.515 6.132 1.00 0.00 O ATOM 729 CB ASP A 48 -6.286 4.444 5.248 1.00 0.00 C ATOM 730 CG ASP A 48 -6.549 4.981 6.642 1.00 0.00 C ATOM 731 OD1 ASP A 48 -5.955 6.020 6.999 1.00 0.00 O ATOM 732 OD2 ASP A 48 -7.349 4.363 7.374 1.00 0.00 O ATOM 0 H ASP A 48 -5.704 4.281 2.851 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.746 5.917 4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.069 4.792 4.574 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.341 3.355 5.265 1.00 0.00 H new ATOM 737 N TRP A 49 -3.781 2.750 4.959 1.00 0.00 N ATOM 738 CA TRP A 49 -2.777 1.832 5.485 1.00 0.00 C ATOM 739 C TRP A 49 -1.371 2.381 5.269 1.00 0.00 C ATOM 740 O TRP A 49 -0.590 2.503 6.214 1.00 0.00 O ATOM 741 CB TRP A 49 -2.911 0.461 4.820 1.00 0.00 C ATOM 742 CG TRP A 49 -1.662 -0.364 4.902 1.00 0.00 C ATOM 743 CD1 TRP A 49 -1.167 -1.199 3.942 1.00 0.00 C ATOM 744 CD2 TRP A 49 -0.752 -0.433 6.005 1.00 0.00 C ATOM 745 NE1 TRP A 49 -0.004 -1.784 4.382 1.00 0.00 N ATOM 746 CE2 TRP A 49 0.272 -1.330 5.644 1.00 0.00 C ATOM 747 CE3 TRP A 49 -0.702 0.176 7.262 1.00 0.00 C ATOM 748 CZ2 TRP A 49 1.332 -1.631 6.496 1.00 0.00 C ATOM 749 CZ3 TRP A 49 0.350 -0.124 8.106 1.00 0.00 C ATOM 750 CH2 TRP A 49 1.356 -1.020 7.720 1.00 0.00 C ATOM 0 H TRP A 49 -4.432 2.329 4.296 1.00 0.00 H new ATOM 0 HA TRP A 49 -2.944 1.725 6.557 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.729 -0.084 5.290 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -3.179 0.598 3.772 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.622 -1.374 2.978 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.562 -2.449 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -1.472 0.869 7.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.108 -2.322 6.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 0.398 0.340 9.080 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.166 -1.232 8.402 1.00 0.00 H new ATOM 761 N LEU A 50 -1.054 2.709 4.022 1.00 0.00 N ATOM 762 CA LEU A 50 0.259 3.246 3.682 1.00 0.00 C ATOM 763 C LEU A 50 0.492 4.589 4.367 1.00 0.00 C ATOM 764 O LEU A 50 1.539 4.813 4.975 1.00 0.00 O ATOM 765 CB LEU A 50 0.390 3.404 2.166 1.00 0.00 C ATOM 766 CG LEU A 50 1.805 3.641 1.636 1.00 0.00 C ATOM 767 CD1 LEU A 50 2.633 2.370 1.739 1.00 0.00 C ATOM 768 CD2 LEU A 50 1.760 4.136 0.198 1.00 0.00 C ATOM 0 H LEU A 50 -1.688 2.613 3.229 1.00 0.00 H new ATOM 0 HA LEU A 50 1.014 2.544 4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.009 2.507 1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.239 4.237 1.852 1.00 0.00 H new ATOM 0 HG LEU A 50 2.278 4.409 2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.637 2.558 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.694 2.059 2.782 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.163 1.581 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.776 4.299 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.268 3.391 -0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.204 5.072 0.153 1.00 0.00 H new ATOM 780 N TYR A 51 -0.490 5.477 4.265 1.00 0.00 N ATOM 781 CA TYR A 51 -0.391 6.798 4.875 1.00 0.00 C ATOM 782 C TYR A 51 0.017 6.693 6.341 1.00 0.00 C ATOM 783 O TYR A 51 1.080 7.171 6.737 1.00 0.00 O ATOM 784 CB TYR A 51 -1.725 7.538 4.757 1.00 0.00 C ATOM 785 CG TYR A 51 -1.789 8.805 5.579 1.00 0.00 C ATOM 786 CD1 TYR A 51 -1.232 9.989 5.112 1.00 0.00 C ATOM 787 CD2 TYR A 51 -2.407 8.819 6.824 1.00 0.00 C ATOM 788 CE1 TYR A 51 -1.288 11.149 5.860 1.00 0.00 C ATOM 789 CE2 TYR A 51 -2.469 9.974 7.578 1.00 0.00 C ATOM 790 CZ TYR A 51 -1.907 11.137 7.092 1.00 0.00 C ATOM 791 OH TYR A 51 -1.965 12.290 7.841 1.00 0.00 O ATOM 0 H TYR A 51 -1.363 5.307 3.766 1.00 0.00 H new ATOM 0 HA TYR A 51 0.377 7.359 4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.903 7.785 3.710 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.529 6.872 5.069 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.747 10.003 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.846 7.910 7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.849 12.061 5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.955 9.967 8.543 1.00 0.00 H new ATOM 0 HH TYR A 51 -2.436 12.111 8.682 1.00 0.00 H new ATOM 801 N ASP A 52 -0.836 6.063 7.142 1.00 0.00 N ATOM 802 CA ASP A 52 -0.565 5.892 8.564 1.00 0.00 C ATOM 803 C ASP A 52 0.881 5.463 8.794 1.00 0.00 C ATOM 804 O ASP A 52 1.572 6.007 9.656 1.00 0.00 O ATOM 805 CB ASP A 52 -1.519 4.859 9.166 1.00 0.00 C ATOM 806 CG ASP A 52 -1.677 5.022 10.665 1.00 0.00 C ATOM 807 OD1 ASP A 52 -1.457 6.144 11.167 1.00 0.00 O ATOM 808 OD2 ASP A 52 -2.022 4.027 11.336 1.00 0.00 O ATOM 0 H ASP A 52 -1.721 5.663 6.830 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.723 6.851 9.057 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.495 4.948 8.689 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.149 3.857 8.949 1.00 0.00 H new ATOM 813 N LEU A 53 1.332 4.483 8.019 1.00 0.00 N ATOM 814 CA LEU A 53 2.696 3.979 8.139 1.00 0.00 C ATOM 815 C LEU A 53 3.710 5.075 7.831 1.00 0.00 C ATOM 816 O LEU A 53 4.712 5.224 8.532 1.00 0.00 O ATOM 817 CB LEU A 53 2.907 2.794 7.195 1.00 0.00 C ATOM 818 CG LEU A 53 4.257 2.084 7.300 1.00 0.00 C ATOM 819 CD1 LEU A 53 4.270 1.135 8.489 1.00 0.00 C ATOM 820 CD2 LEU A 53 4.568 1.334 6.013 1.00 0.00 C ATOM 0 H LEU A 53 0.774 4.022 7.301 1.00 0.00 H new ATOM 0 HA LEU A 53 2.846 3.649 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.120 2.063 7.380 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.782 3.145 6.171 1.00 0.00 H new ATOM 0 HG LEU A 53 5.030 2.837 7.453 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.239 0.639 8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.094 1.698 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.486 0.388 8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.533 0.835 6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.792 0.591 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.603 2.038 5.181 1.00 0.00 H new ATOM 832 N LEU A 54 3.444 5.843 6.780 1.00 0.00 N ATOM 833 CA LEU A 54 4.332 6.929 6.381 1.00 0.00 C ATOM 834 C LEU A 54 4.459 7.966 7.492 1.00 0.00 C ATOM 835 O LEU A 54 5.562 8.272 7.946 1.00 0.00 O ATOM 836 CB LEU A 54 3.815 7.594 5.104 1.00 0.00 C ATOM 837 CG LEU A 54 3.719 6.695 3.871 1.00 0.00 C ATOM 838 CD1 LEU A 54 2.676 7.230 2.901 1.00 0.00 C ATOM 839 CD2 LEU A 54 5.074 6.578 3.189 1.00 0.00 C ATOM 0 H LEU A 54 2.620 5.734 6.189 1.00 0.00 H new ATOM 0 HA LEU A 54 5.318 6.506 6.190 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.826 8.005 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.467 8.435 4.866 1.00 0.00 H new ATOM 0 HG LEU A 54 3.410 5.700 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.621 6.578 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.704 7.261 3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.955 8.235 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.986 5.934 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.412 7.567 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.795 6.149 3.884 1.00 0.00 H new ATOM 851 N ARG A 55 3.323 8.501 7.928 1.00 0.00 N ATOM 852 CA ARG A 55 3.307 9.502 8.987 1.00 0.00 C ATOM 853 C ARG A 55 3.966 8.964 10.254 1.00 0.00 C ATOM 854 O ARG A 55 4.727 9.668 10.917 1.00 0.00 O ATOM 855 CB ARG A 55 1.871 9.933 9.290 1.00 0.00 C ATOM 856 CG ARG A 55 0.977 8.792 9.748 1.00 0.00 C ATOM 857 CD ARG A 55 -0.373 9.300 10.229 1.00 0.00 C ATOM 858 NE ARG A 55 -0.368 9.601 11.658 1.00 0.00 N ATOM 859 CZ ARG A 55 -1.471 9.708 12.391 1.00 0.00 C ATOM 860 NH1 ARG A 55 -2.661 9.540 11.831 1.00 0.00 N ATOM 861 NH2 ARG A 55 -1.384 9.983 13.686 1.00 0.00 N ATOM 0 H ARG A 55 2.402 8.258 7.564 1.00 0.00 H new ATOM 0 HA ARG A 55 3.873 10.367 8.643 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.887 10.703 10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.440 10.385 8.397 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.831 8.090 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.468 8.244 10.552 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.643 10.197 9.671 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.137 8.552 10.019 1.00 0.00 H new ATOM 0 HE ARG A 55 0.532 9.737 12.119 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.731 9.328 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.507 9.623 12.396 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.470 10.112 14.120 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.231 10.065 14.248 1.00 0.00 H new ATOM 875 N ASN A 56 3.667 7.712 10.584 1.00 0.00 N ATOM 876 CA ASN A 56 4.229 7.080 11.772 1.00 0.00 C ATOM 877 C ASN A 56 5.744 7.254 11.815 1.00 0.00 C ATOM 878 O ASN A 56 6.325 7.460 12.880 1.00 0.00 O ATOM 879 CB ASN A 56 3.874 5.592 11.800 1.00 0.00 C ATOM 880 CG ASN A 56 4.228 4.938 13.122 1.00 0.00 C ATOM 881 OD1 ASN A 56 5.383 4.588 13.364 1.00 0.00 O ATOM 882 ND2 ASN A 56 3.232 4.769 13.983 1.00 0.00 N ATOM 0 H ASN A 56 3.039 7.115 10.046 1.00 0.00 H new ATOM 0 HA ASN A 56 3.800 7.565 12.649 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.807 5.472 11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.399 5.081 10.993 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.409 4.333 14.888 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.290 5.075 13.739 1.00 0.00 H new ATOM 889 N ASN A 57 6.377 7.169 10.650 1.00 0.00 N ATOM 890 CA ASN A 57 7.825 7.317 10.554 1.00 0.00 C ATOM 891 C ASN A 57 8.248 8.749 10.868 1.00 0.00 C ATOM 892 O ASN A 57 7.407 9.630 11.049 1.00 0.00 O ATOM 893 CB ASN A 57 8.307 6.926 9.156 1.00 0.00 C ATOM 894 CG ASN A 57 9.804 6.689 9.106 1.00 0.00 C ATOM 895 OD1 ASN A 57 10.389 6.141 10.041 1.00 0.00 O ATOM 896 ND2 ASN A 57 10.432 7.103 8.011 1.00 0.00 N ATOM 0 H ASN A 57 5.910 6.998 9.759 1.00 0.00 H new ATOM 0 HA ASN A 57 8.282 6.653 11.288 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.788 6.023 8.835 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.043 7.713 8.450 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.439 6.972 7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.907 7.552 7.261 1.00 0.00 H new ATOM 903 N SER A 58 9.556 8.974 10.930 1.00 0.00 N ATOM 904 CA SER A 58 10.091 10.298 11.225 1.00 0.00 C ATOM 905 C SER A 58 10.407 11.055 9.938 1.00 0.00 C ATOM 906 O SER A 58 9.976 12.192 9.752 1.00 0.00 O ATOM 907 CB SER A 58 11.351 10.183 12.085 1.00 0.00 C ATOM 908 OG SER A 58 11.862 11.463 12.415 1.00 0.00 O ATOM 0 H SER A 58 10.265 8.256 10.780 1.00 0.00 H new ATOM 0 HA SER A 58 9.333 10.854 11.777 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.123 9.633 12.998 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.110 9.612 11.550 1.00 0.00 H new ATOM 0 HG SER A 58 12.666 11.362 12.966 1.00 0.00 H new ATOM 914 N ASN A 59 11.164 10.415 9.053 1.00 0.00 N ATOM 915 CA ASN A 59 11.539 11.027 7.784 1.00 0.00 C ATOM 916 C ASN A 59 10.380 11.830 7.203 1.00 0.00 C ATOM 917 O ASN A 59 10.496 13.036 6.981 1.00 0.00 O ATOM 918 CB ASN A 59 11.980 9.953 6.787 1.00 0.00 C ATOM 919 CG ASN A 59 12.068 10.482 5.368 1.00 0.00 C ATOM 920 OD1 ASN A 59 13.204 11.083 5.031 1.00 0.00 O flip ATOM 921 ND2 ASN A 59 11.127 10.352 4.585 1.00 0.00 N flip ATOM 0 H ASN A 59 11.530 9.473 9.191 1.00 0.00 H new ATOM 0 HA ASN A 59 12.371 11.706 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.952 9.560 7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.277 9.121 6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.273 9.883 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 59 11.201 10.713 3.634 1.00 0.00 H new ATOM 928 N PHE A 60 9.262 11.155 6.961 1.00 0.00 N ATOM 929 CA PHE A 60 8.080 11.805 6.406 1.00 0.00 C ATOM 930 C PHE A 60 7.337 12.592 7.482 1.00 0.00 C ATOM 931 O PHE A 60 6.883 13.711 7.246 1.00 0.00 O ATOM 932 CB PHE A 60 7.146 10.767 5.781 1.00 0.00 C ATOM 933 CG PHE A 60 7.780 9.986 4.665 1.00 0.00 C ATOM 934 CD1 PHE A 60 8.588 8.894 4.938 1.00 0.00 C ATOM 935 CD2 PHE A 60 7.566 10.344 3.343 1.00 0.00 C ATOM 936 CE1 PHE A 60 9.173 8.175 3.913 1.00 0.00 C ATOM 937 CE2 PHE A 60 8.148 9.627 2.314 1.00 0.00 C ATOM 938 CZ PHE A 60 8.952 8.541 2.599 1.00 0.00 C ATOM 0 H PHE A 60 9.149 10.157 7.140 1.00 0.00 H new ATOM 0 HA PHE A 60 8.408 12.500 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.814 10.075 6.555 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.257 11.271 5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.763 8.602 5.963 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.938 11.192 3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.803 7.327 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.974 9.916 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.407 7.979 1.797 1.00 0.00 H new ATOM 948 N GLY A 61 7.216 11.997 8.665 1.00 0.00 N ATOM 949 CA GLY A 61 6.527 12.655 9.759 1.00 0.00 C ATOM 950 C GLY A 61 5.045 12.827 9.491 1.00 0.00 C ATOM 951 O GLY A 61 4.535 12.448 8.436 1.00 0.00 O ATOM 0 H GLY A 61 7.583 11.071 8.885 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.663 12.075 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.977 13.632 9.933 1.00 0.00 H new ATOM 955 N PRO A 62 4.327 13.409 10.464 1.00 0.00 N ATOM 956 CA PRO A 62 2.884 13.641 10.351 1.00 0.00 C ATOM 957 C PRO A 62 2.549 14.718 9.325 1.00 0.00 C ATOM 958 O PRO A 62 1.405 14.836 8.887 1.00 0.00 O ATOM 959 CB PRO A 62 2.489 14.101 11.757 1.00 0.00 C ATOM 960 CG PRO A 62 3.735 14.681 12.331 1.00 0.00 C ATOM 961 CD PRO A 62 4.869 13.884 11.747 1.00 0.00 C ATOM 0 HA PRO A 62 2.353 12.751 10.013 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.689 14.840 11.721 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.127 13.268 12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.828 15.737 12.076 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.731 14.615 13.419 1.00 0.00 H new ATOM 0 HD2 PRO A 62 5.759 14.497 11.605 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.153 13.055 12.395 1.00 0.00 H new ATOM 969 N GLU A 63 3.554 15.501 8.946 1.00 0.00 N ATOM 970 CA GLU A 63 3.364 16.569 7.971 1.00 0.00 C ATOM 971 C GLU A 63 2.765 16.024 6.677 1.00 0.00 C ATOM 972 O GLU A 63 1.958 16.687 6.026 1.00 0.00 O ATOM 973 CB GLU A 63 4.695 17.264 7.676 1.00 0.00 C ATOM 974 CG GLU A 63 5.352 17.866 8.906 1.00 0.00 C ATOM 975 CD GLU A 63 6.845 18.065 8.731 1.00 0.00 C ATOM 976 OE1 GLU A 63 7.243 18.743 7.761 1.00 0.00 O ATOM 977 OE2 GLU A 63 7.616 17.543 9.564 1.00 0.00 O ATOM 0 H GLU A 63 4.507 15.416 9.299 1.00 0.00 H new ATOM 0 HA GLU A 63 2.670 17.294 8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.379 16.545 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.529 18.051 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.885 18.825 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.174 17.217 9.763 1.00 0.00 H new ATOM 984 N VAL A 64 3.166 14.810 6.311 1.00 0.00 N ATOM 985 CA VAL A 64 2.670 14.175 5.096 1.00 0.00 C ATOM 986 C VAL A 64 1.154 14.015 5.140 1.00 0.00 C ATOM 987 O VAL A 64 0.592 13.586 6.148 1.00 0.00 O ATOM 988 CB VAL A 64 3.315 12.793 4.882 1.00 0.00 C ATOM 989 CG1 VAL A 64 2.923 11.841 6.002 1.00 0.00 C ATOM 990 CG2 VAL A 64 2.921 12.226 3.527 1.00 0.00 C ATOM 0 H VAL A 64 3.833 14.247 6.839 1.00 0.00 H new ATOM 0 HA VAL A 64 2.940 14.826 4.265 1.00 0.00 H new ATOM 0 HB VAL A 64 4.399 12.910 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.388 10.870 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.260 12.244 6.957 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.839 11.726 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.386 11.249 3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.837 12.122 3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.258 12.900 2.739 1.00 0.00 H new ATOM 1000 N THR A 65 0.496 14.362 4.039 1.00 0.00 N ATOM 1001 CA THR A 65 -0.955 14.258 3.950 1.00 0.00 C ATOM 1002 C THR A 65 -1.370 13.242 2.893 1.00 0.00 C ATOM 1003 O THR A 65 -0.573 12.865 2.034 1.00 0.00 O ATOM 1004 CB THR A 65 -1.597 15.619 3.619 1.00 0.00 C ATOM 1005 OG1 THR A 65 -3.021 15.531 3.739 1.00 0.00 O ATOM 1006 CG2 THR A 65 -1.228 16.062 2.211 1.00 0.00 C ATOM 0 H THR A 65 0.945 14.718 3.195 1.00 0.00 H new ATOM 0 HA THR A 65 -1.308 13.926 4.926 1.00 0.00 H new ATOM 0 HB THR A 65 -1.218 16.357 4.326 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.421 16.400 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.692 17.025 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.145 16.156 2.131 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.582 15.323 1.492 1.00 0.00 H new ATOM 1014 N ARG A 66 -2.623 12.803 2.960 1.00 0.00 N ATOM 1015 CA ARG A 66 -3.143 11.829 2.008 1.00 0.00 C ATOM 1016 C ARG A 66 -2.592 12.088 0.609 1.00 0.00 C ATOM 1017 O ARG A 66 -2.093 11.176 -0.050 1.00 0.00 O ATOM 1018 CB ARG A 66 -4.672 11.876 1.982 1.00 0.00 C ATOM 1019 CG ARG A 66 -5.313 10.590 1.486 1.00 0.00 C ATOM 1020 CD ARG A 66 -6.704 10.401 2.069 1.00 0.00 C ATOM 1021 NE ARG A 66 -7.250 9.081 1.764 1.00 0.00 N ATOM 1022 CZ ARG A 66 -7.886 8.791 0.634 1.00 0.00 C ATOM 1023 NH1 ARG A 66 -8.054 9.724 -0.293 1.00 0.00 N ATOM 1024 NH2 ARG A 66 -8.354 7.566 0.430 1.00 0.00 N ATOM 0 H ARG A 66 -3.296 13.106 3.663 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.822 10.838 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.038 12.090 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.991 12.700 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.373 10.608 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.685 9.741 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.666 10.537 3.150 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -7.370 11.169 1.675 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.137 8.341 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.695 10.666 -0.139 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.542 9.500 -1.160 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.226 6.846 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.842 7.344 -0.438 1.00 0.00 H new ATOM 1038 N GLN A 67 -2.686 13.337 0.164 1.00 0.00 N ATOM 1039 CA GLN A 67 -2.197 13.715 -1.157 1.00 0.00 C ATOM 1040 C GLN A 67 -0.866 13.036 -1.460 1.00 0.00 C ATOM 1041 O GLN A 67 -0.712 12.386 -2.494 1.00 0.00 O ATOM 1042 CB GLN A 67 -2.042 15.234 -1.251 1.00 0.00 C ATOM 1043 CG GLN A 67 -3.355 15.989 -1.121 1.00 0.00 C ATOM 1044 CD GLN A 67 -4.169 15.967 -2.399 1.00 0.00 C ATOM 1045 OE1 GLN A 67 -3.665 16.288 -3.476 1.00 0.00 O ATOM 1046 NE2 GLN A 67 -5.437 15.588 -2.287 1.00 0.00 N ATOM 0 H GLN A 67 -3.096 14.103 0.698 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.928 13.385 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.360 15.570 -0.470 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.581 15.485 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.942 15.553 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.149 17.023 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.814 15.330 -1.375 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.034 15.555 -3.113 1.00 0.00 H new ATOM 1055 N GLN A 68 0.092 13.192 -0.552 1.00 0.00 N ATOM 1056 CA GLN A 68 1.411 12.594 -0.724 1.00 0.00 C ATOM 1057 C GLN A 68 1.301 11.091 -0.960 1.00 0.00 C ATOM 1058 O GLN A 68 1.977 10.536 -1.827 1.00 0.00 O ATOM 1059 CB GLN A 68 2.282 12.867 0.503 1.00 0.00 C ATOM 1060 CG GLN A 68 2.619 14.338 0.695 1.00 0.00 C ATOM 1061 CD GLN A 68 3.201 14.971 -0.553 1.00 0.00 C ATOM 1062 OE1 GLN A 68 2.514 15.697 -1.273 1.00 0.00 O ATOM 1063 NE2 GLN A 68 4.473 14.700 -0.817 1.00 0.00 N ATOM 0 H GLN A 68 -0.020 13.727 0.309 1.00 0.00 H new ATOM 0 HA GLN A 68 1.876 13.048 -1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.768 12.502 1.392 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.208 12.299 0.414 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.718 14.878 0.985 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.330 14.440 1.515 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.005 14.093 -0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.918 15.098 -1.644 1.00 0.00 H new ATOM 1072 N THR A 69 0.444 10.436 -0.182 1.00 0.00 N ATOM 1073 CA THR A 69 0.247 8.998 -0.305 1.00 0.00 C ATOM 1074 C THR A 69 -0.109 8.611 -1.736 1.00 0.00 C ATOM 1075 O THR A 69 0.487 7.699 -2.309 1.00 0.00 O ATOM 1076 CB THR A 69 -0.863 8.501 0.640 1.00 0.00 C ATOM 1077 OG1 THR A 69 -0.624 8.976 1.970 1.00 0.00 O ATOM 1078 CG2 THR A 69 -0.931 6.981 0.644 1.00 0.00 C ATOM 0 H THR A 69 -0.124 10.879 0.540 1.00 0.00 H new ATOM 0 HA THR A 69 1.189 8.525 -0.028 1.00 0.00 H new ATOM 0 HB THR A 69 -1.816 8.891 0.281 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.076 8.325 2.456 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.722 6.654 1.319 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.143 6.624 -0.364 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.023 6.575 0.980 1.00 0.00 H new ATOM 1086 N ILE A 70 -1.083 9.311 -2.308 1.00 0.00 N ATOM 1087 CA ILE A 70 -1.516 9.042 -3.673 1.00 0.00 C ATOM 1088 C ILE A 70 -0.369 9.226 -4.660 1.00 0.00 C ATOM 1089 O ILE A 70 -0.204 8.436 -5.589 1.00 0.00 O ATOM 1090 CB ILE A 70 -2.684 9.958 -4.084 1.00 0.00 C ATOM 1091 CG1 ILE A 70 -3.888 9.729 -3.167 1.00 0.00 C ATOM 1092 CG2 ILE A 70 -3.064 9.713 -5.537 1.00 0.00 C ATOM 1093 CD1 ILE A 70 -4.896 10.856 -3.201 1.00 0.00 C ATOM 0 H ILE A 70 -1.587 10.069 -1.847 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.852 8.005 -3.699 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.365 10.995 -3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.382 8.801 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.536 9.598 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.891 10.368 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.207 9.922 -6.177 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.367 8.674 -5.664 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.722 10.626 -2.528 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.417 11.782 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.277 10.973 -4.216 1.00 0.00 H new ATOM 1105 N GLN A 71 0.423 10.273 -4.451 1.00 0.00 N ATOM 1106 CA GLN A 71 1.556 10.560 -5.322 1.00 0.00 C ATOM 1107 C GLN A 71 2.608 9.460 -5.227 1.00 0.00 C ATOM 1108 O GLN A 71 3.063 8.932 -6.242 1.00 0.00 O ATOM 1109 CB GLN A 71 2.177 11.910 -4.958 1.00 0.00 C ATOM 1110 CG GLN A 71 1.341 13.102 -5.394 1.00 0.00 C ATOM 1111 CD GLN A 71 2.158 14.373 -5.521 1.00 0.00 C ATOM 1112 OE1 GLN A 71 3.312 14.343 -5.952 1.00 0.00 O ATOM 1113 NE2 GLN A 71 1.564 15.499 -5.146 1.00 0.00 N ATOM 0 H GLN A 71 0.301 10.936 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 71 1.192 10.601 -6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.322 11.954 -3.879 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.164 11.982 -5.416 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.870 12.880 -6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.538 13.261 -4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 71 0.607 15.478 -4.795 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.065 16.385 -5.209 1.00 0.00 H new ATOM 1122 N LEU A 72 2.991 9.120 -4.001 1.00 0.00 N ATOM 1123 CA LEU A 72 3.991 8.082 -3.773 1.00 0.00 C ATOM 1124 C LEU A 72 3.517 6.740 -4.321 1.00 0.00 C ATOM 1125 O LEU A 72 4.258 6.044 -5.017 1.00 0.00 O ATOM 1126 CB LEU A 72 4.293 7.958 -2.279 1.00 0.00 C ATOM 1127 CG LEU A 72 5.331 6.905 -1.889 1.00 0.00 C ATOM 1128 CD1 LEU A 72 6.695 7.262 -2.459 1.00 0.00 C ATOM 1129 CD2 LEU A 72 5.404 6.762 -0.376 1.00 0.00 C ATOM 0 H LEU A 72 2.625 9.547 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 72 4.902 8.367 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.634 8.927 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.362 7.732 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 72 5.024 5.948 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.420 6.501 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.633 7.311 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.010 8.230 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.148 6.008 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.686 7.717 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.430 6.458 0.008 1.00 0.00 H new ATOM 1141 N LEU A 73 2.278 6.382 -4.004 1.00 0.00 N ATOM 1142 CA LEU A 73 1.703 5.123 -4.466 1.00 0.00 C ATOM 1143 C LEU A 73 2.034 4.880 -5.935 1.00 0.00 C ATOM 1144 O LEU A 73 2.423 3.777 -6.320 1.00 0.00 O ATOM 1145 CB LEU A 73 0.186 5.129 -4.268 1.00 0.00 C ATOM 1146 CG LEU A 73 -0.512 3.774 -4.391 1.00 0.00 C ATOM 1147 CD1 LEU A 73 -0.302 2.949 -3.131 1.00 0.00 C ATOM 1148 CD2 LEU A 73 -1.997 3.962 -4.667 1.00 0.00 C ATOM 0 H LEU A 73 1.652 6.945 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 73 2.137 4.316 -3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.030 5.538 -3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.253 5.809 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.072 3.235 -5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.806 1.988 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.765 2.784 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.714 3.482 -2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.478 2.987 -4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -2.451 4.521 -3.849 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.127 4.513 -5.599 1.00 0.00 H new ATOM 1160 N ARG A 74 1.879 5.918 -6.751 1.00 0.00 N ATOM 1161 CA ARG A 74 2.163 5.817 -8.177 1.00 0.00 C ATOM 1162 C ARG A 74 3.459 5.049 -8.421 1.00 0.00 C ATOM 1163 O ARG A 74 3.569 4.283 -9.378 1.00 0.00 O ATOM 1164 CB ARG A 74 2.259 7.211 -8.799 1.00 0.00 C ATOM 1165 CG ARG A 74 0.933 7.953 -8.839 1.00 0.00 C ATOM 1166 CD ARG A 74 1.131 9.434 -9.123 1.00 0.00 C ATOM 1167 NE ARG A 74 -0.075 10.053 -9.666 1.00 0.00 N ATOM 1168 CZ ARG A 74 -0.342 11.351 -9.568 1.00 0.00 C ATOM 1169 NH1 ARG A 74 0.508 12.162 -8.953 1.00 0.00 N ATOM 1170 NH2 ARG A 74 -1.461 11.840 -10.088 1.00 0.00 N ATOM 0 H ARG A 74 1.558 6.838 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 74 1.344 5.272 -8.647 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.980 7.803 -8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.646 7.121 -9.814 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.294 7.517 -9.607 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.417 7.830 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.418 9.944 -8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.953 9.561 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.749 9.457 -10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.370 11.790 -8.554 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.300 13.158 -8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.116 11.219 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.666 12.836 -10.013 1.00 0.00 H new ATOM 1184 N LYS A 75 4.439 5.261 -7.549 1.00 0.00 N ATOM 1185 CA LYS A 75 5.728 4.590 -7.668 1.00 0.00 C ATOM 1186 C LYS A 75 5.600 3.105 -7.341 1.00 0.00 C ATOM 1187 O LYS A 75 6.213 2.261 -7.994 1.00 0.00 O ATOM 1188 CB LYS A 75 6.753 5.241 -6.737 1.00 0.00 C ATOM 1189 CG LYS A 75 7.526 6.378 -7.383 1.00 0.00 C ATOM 1190 CD LYS A 75 8.355 7.140 -6.363 1.00 0.00 C ATOM 1191 CE LYS A 75 9.173 8.241 -7.020 1.00 0.00 C ATOM 1192 NZ LYS A 75 10.229 7.689 -7.913 1.00 0.00 N ATOM 0 H LYS A 75 4.365 5.893 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 75 6.068 4.690 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.240 5.618 -5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.457 4.481 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.179 5.980 -8.159 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.830 7.061 -7.871 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.698 7.574 -5.610 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.021 6.450 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.513 8.890 -7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.635 8.859 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.889 8.447 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.748 6.938 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.789 7.295 -8.769 1.00 0.00 H new ATOM 1206 N PHE A 76 4.798 2.794 -6.328 1.00 0.00 N ATOM 1207 CA PHE A 76 4.590 1.411 -5.916 1.00 0.00 C ATOM 1208 C PHE A 76 4.161 0.549 -7.100 1.00 0.00 C ATOM 1209 O PHE A 76 4.797 -0.459 -7.411 1.00 0.00 O ATOM 1210 CB PHE A 76 3.534 1.340 -4.810 1.00 0.00 C ATOM 1211 CG PHE A 76 4.063 1.704 -3.453 1.00 0.00 C ATOM 1212 CD1 PHE A 76 4.907 2.791 -3.292 1.00 0.00 C ATOM 1213 CD2 PHE A 76 3.715 0.960 -2.337 1.00 0.00 C ATOM 1214 CE1 PHE A 76 5.395 3.129 -2.044 1.00 0.00 C ATOM 1215 CE2 PHE A 76 4.199 1.294 -1.086 1.00 0.00 C ATOM 1216 CZ PHE A 76 5.042 2.379 -0.940 1.00 0.00 C ATOM 0 H PHE A 76 4.282 3.481 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 76 5.535 1.026 -5.533 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.710 2.008 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.125 0.330 -4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.187 3.381 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.058 0.110 -2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 76 6.052 3.979 -1.932 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.919 0.707 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.424 2.640 0.036 1.00 0.00 H new ATOM 1226 N LEU A 77 3.079 0.952 -7.756 1.00 0.00 N ATOM 1227 CA LEU A 77 2.564 0.218 -8.906 1.00 0.00 C ATOM 1228 C LEU A 77 3.644 0.041 -9.968 1.00 0.00 C ATOM 1229 O LEU A 77 3.810 -1.044 -10.527 1.00 0.00 O ATOM 1230 CB LEU A 77 1.359 0.947 -9.505 1.00 0.00 C ATOM 1231 CG LEU A 77 0.870 0.436 -10.860 1.00 0.00 C ATOM 1232 CD1 LEU A 77 0.313 -0.973 -10.730 1.00 0.00 C ATOM 1233 CD2 LEU A 77 -0.178 1.375 -11.438 1.00 0.00 C ATOM 0 H LEU A 77 2.541 1.783 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 77 2.251 -0.769 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.533 0.885 -8.796 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.612 2.002 -9.607 1.00 0.00 H new ATOM 0 HG LEU A 77 1.719 0.407 -11.543 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.030 -1.320 -11.705 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.092 -1.640 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.523 -0.971 -10.031 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.514 0.995 -12.403 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.026 1.437 -10.757 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.255 2.367 -11.570 1.00 0.00 H new ATOM 1245 N LYS A 78 4.380 1.113 -10.241 1.00 0.00 N ATOM 1246 CA LYS A 78 5.448 1.077 -11.233 1.00 0.00 C ATOM 1247 C LYS A 78 6.544 0.102 -10.817 1.00 0.00 C ATOM 1248 O LYS A 78 7.129 -0.583 -11.655 1.00 0.00 O ATOM 1249 CB LYS A 78 6.040 2.475 -11.426 1.00 0.00 C ATOM 1250 CG LYS A 78 7.298 2.490 -12.277 1.00 0.00 C ATOM 1251 CD LYS A 78 7.689 3.906 -12.669 1.00 0.00 C ATOM 1252 CE LYS A 78 8.179 4.701 -11.469 1.00 0.00 C ATOM 1253 NZ LYS A 78 7.065 5.409 -10.780 1.00 0.00 N ATOM 0 H LYS A 78 4.256 2.019 -9.788 1.00 0.00 H new ATOM 0 HA LYS A 78 5.022 0.736 -12.177 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.291 3.117 -11.889 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.267 2.902 -10.449 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.116 2.025 -11.727 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.138 1.894 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.471 3.872 -13.428 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.832 4.411 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.673 4.030 -10.766 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.924 5.427 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.236 5.410 -9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.012 6.389 -11.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.168 4.923 -10.981 1.00 0.00 H new ATOM 1267 N ASN A 79 6.816 0.043 -9.517 1.00 0.00 N ATOM 1268 CA ASN A 79 7.841 -0.850 -8.991 1.00 0.00 C ATOM 1269 C ASN A 79 7.299 -2.267 -8.830 1.00 0.00 C ATOM 1270 O ASN A 79 7.891 -3.095 -8.137 1.00 0.00 O ATOM 1271 CB ASN A 79 8.355 -0.333 -7.645 1.00 0.00 C ATOM 1272 CG ASN A 79 9.478 0.674 -7.804 1.00 0.00 C ATOM 1273 OD1 ASN A 79 10.637 0.379 -7.515 1.00 0.00 O ATOM 1274 ND2 ASN A 79 9.137 1.872 -8.265 1.00 0.00 N ATOM 0 H ASN A 79 6.341 0.603 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 79 8.666 -0.875 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 79 7.533 0.127 -7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 79 8.706 -1.173 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.849 2.591 -8.392 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.163 2.073 -8.492 1.00 0.00 H new ATOM 1281 N HIS A 80 6.169 -2.539 -9.475 1.00 0.00 N ATOM 1282 CA HIS A 80 5.546 -3.856 -9.404 1.00 0.00 C ATOM 1283 C HIS A 80 5.183 -4.209 -7.965 1.00 0.00 C ATOM 1284 O HIS A 80 5.210 -5.377 -7.576 1.00 0.00 O ATOM 1285 CB HIS A 80 6.483 -4.917 -9.982 1.00 0.00 C ATOM 1286 CG HIS A 80 5.870 -6.282 -10.053 1.00 0.00 C ATOM 1287 ND1 HIS A 80 6.615 -7.435 -10.186 1.00 0.00 N ATOM 1288 CD2 HIS A 80 4.576 -6.675 -10.005 1.00 0.00 C ATOM 1289 CE1 HIS A 80 5.805 -8.478 -10.220 1.00 0.00 C ATOM 1290 NE2 HIS A 80 4.562 -8.044 -10.112 1.00 0.00 N ATOM 0 H HIS A 80 5.666 -1.865 -10.053 1.00 0.00 H new ATOM 0 HA HIS A 80 4.630 -3.830 -9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.790 -4.613 -10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.385 -4.964 -9.372 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.632 -7.476 -10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.715 -6.032 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.108 -9.510 -10.319 1.00 0.00 H new ATOM 1298 N VAL A 81 4.844 -3.193 -7.179 1.00 0.00 N ATOM 1299 CA VAL A 81 4.476 -3.396 -5.783 1.00 0.00 C ATOM 1300 C VAL A 81 3.026 -3.850 -5.658 1.00 0.00 C ATOM 1301 O VAL A 81 2.694 -4.669 -4.800 1.00 0.00 O ATOM 1302 CB VAL A 81 4.672 -2.110 -4.958 1.00 0.00 C ATOM 1303 CG1 VAL A 81 4.273 -2.339 -3.508 1.00 0.00 C ATOM 1304 CG2 VAL A 81 6.112 -1.631 -5.053 1.00 0.00 C ATOM 0 H VAL A 81 4.816 -2.220 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 81 5.133 -4.173 -5.392 1.00 0.00 H new ATOM 0 HB VAL A 81 4.027 -1.334 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.418 -1.419 -2.941 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.224 -2.632 -3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.890 -3.130 -3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.233 -0.722 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.778 -2.403 -4.669 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.359 -1.424 -6.094 1.00 0.00 H new ATOM 1314 N ILE A 82 2.167 -3.315 -6.519 1.00 0.00 N ATOM 1315 CA ILE A 82 0.753 -3.667 -6.506 1.00 0.00 C ATOM 1316 C ILE A 82 0.203 -3.787 -7.923 1.00 0.00 C ATOM 1317 O ILE A 82 0.352 -2.876 -8.736 1.00 0.00 O ATOM 1318 CB ILE A 82 -0.079 -2.628 -5.731 1.00 0.00 C ATOM 1319 CG1 ILE A 82 0.214 -1.219 -6.249 1.00 0.00 C ATOM 1320 CG2 ILE A 82 0.213 -2.721 -4.240 1.00 0.00 C ATOM 1321 CD1 ILE A 82 -0.701 -0.161 -5.673 1.00 0.00 C ATOM 0 H ILE A 82 2.426 -2.636 -7.235 1.00 0.00 H new ATOM 0 HA ILE A 82 0.673 -4.632 -6.005 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.136 -2.840 -5.889 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.247 -0.962 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.124 -1.214 -7.335 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.382 -1.981 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.041 -3.718 -3.881 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.272 -2.531 -4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.436 0.813 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.734 -0.394 -5.930 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.593 -0.138 -4.589 1.00 0.00 H new ATOM 1333 N GLU A 83 -0.434 -4.918 -8.211 1.00 0.00 N ATOM 1334 CA GLU A 83 -1.008 -5.156 -9.530 1.00 0.00 C ATOM 1335 C GLU A 83 -2.526 -5.004 -9.500 1.00 0.00 C ATOM 1336 O GLU A 83 -3.169 -5.291 -8.490 1.00 0.00 O ATOM 1337 CB GLU A 83 -0.634 -6.554 -10.028 1.00 0.00 C ATOM 1338 CG GLU A 83 -1.491 -7.036 -11.187 1.00 0.00 C ATOM 1339 CD GLU A 83 -1.026 -8.369 -11.740 1.00 0.00 C ATOM 1340 OE1 GLU A 83 -0.742 -9.279 -10.933 1.00 0.00 O ATOM 1341 OE2 GLU A 83 -0.948 -8.504 -12.979 1.00 0.00 O ATOM 0 H GLU A 83 -0.565 -5.683 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.600 -4.412 -10.215 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.412 -6.553 -10.336 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.723 -7.261 -9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.526 -7.125 -10.857 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -1.473 -6.291 -11.982 1.00 0.00 H new ATOM 1348 N ASP A 84 -3.091 -4.549 -10.612 1.00 0.00 N ATOM 1349 CA ASP A 84 -4.533 -4.359 -10.715 1.00 0.00 C ATOM 1350 C ASP A 84 -5.268 -5.689 -10.577 1.00 0.00 C ATOM 1351 O ASP A 84 -4.645 -6.748 -10.498 1.00 0.00 O ATOM 1352 CB ASP A 84 -4.889 -3.701 -12.048 1.00 0.00 C ATOM 1353 CG ASP A 84 -4.116 -2.419 -12.286 1.00 0.00 C ATOM 1354 OD1 ASP A 84 -2.952 -2.336 -11.839 1.00 0.00 O ATOM 1355 OD2 ASP A 84 -4.673 -1.499 -12.920 1.00 0.00 O ATOM 0 H ASP A 84 -2.572 -4.305 -11.456 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.847 -3.705 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.687 -4.400 -12.860 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.958 -3.487 -12.070 1.00 0.00 H new ATOM 1360 N ILE A 85 -6.595 -5.625 -10.548 1.00 0.00 N ATOM 1361 CA ILE A 85 -7.414 -6.824 -10.420 1.00 0.00 C ATOM 1362 C ILE A 85 -7.417 -7.629 -11.716 1.00 0.00 C ATOM 1363 O ILE A 85 -7.551 -8.852 -11.700 1.00 0.00 O ATOM 1364 CB ILE A 85 -8.866 -6.477 -10.042 1.00 0.00 C ATOM 1365 CG1 ILE A 85 -9.713 -7.749 -9.958 1.00 0.00 C ATOM 1366 CG2 ILE A 85 -9.458 -5.505 -11.051 1.00 0.00 C ATOM 1367 CD1 ILE A 85 -10.953 -7.594 -9.106 1.00 0.00 C ATOM 0 H ILE A 85 -7.126 -4.756 -10.611 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.973 -7.423 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.866 -5.998 -9.063 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.008 -8.046 -10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -9.103 -8.556 -9.553 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.485 -5.269 -10.770 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.866 -4.590 -11.065 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.448 -5.958 -12.042 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -11.505 -8.534 -9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.665 -7.327 -8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.585 -6.809 -9.522 1.00 0.00 H new ATOM 1379 N LYS A 86 -7.268 -6.933 -12.838 1.00 0.00 N ATOM 1380 CA LYS A 86 -7.250 -7.581 -14.144 1.00 0.00 C ATOM 1381 C LYS A 86 -5.857 -8.110 -14.470 1.00 0.00 C ATOM 1382 O LYS A 86 -5.702 -9.246 -14.915 1.00 0.00 O ATOM 1383 CB LYS A 86 -7.702 -6.601 -15.229 1.00 0.00 C ATOM 1384 CG LYS A 86 -9.209 -6.542 -15.407 1.00 0.00 C ATOM 1385 CD LYS A 86 -9.698 -7.606 -16.375 1.00 0.00 C ATOM 1386 CE LYS A 86 -11.077 -7.271 -16.921 1.00 0.00 C ATOM 1387 NZ LYS A 86 -11.778 -8.480 -17.438 1.00 0.00 N ATOM 0 H LYS A 86 -7.158 -5.919 -12.869 1.00 0.00 H new ATOM 0 HA LYS A 86 -7.941 -8.423 -14.113 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.335 -5.605 -14.983 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.244 -6.885 -16.176 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.696 -6.676 -14.441 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.495 -5.556 -15.774 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.992 -7.701 -17.200 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.730 -8.572 -15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.677 -6.812 -16.135 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.982 -6.536 -17.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -12.714 -8.210 -17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.218 -8.904 -18.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.891 -9.171 -16.669 1.00 0.00 H new ATOM 1401 N GLY A 87 -4.845 -7.277 -14.244 1.00 0.00 N ATOM 1402 CA GLY A 87 -3.478 -7.680 -14.519 1.00 0.00 C ATOM 1403 C GLY A 87 -2.699 -6.616 -15.267 1.00 0.00 C ATOM 1404 O GLY A 87 -1.992 -6.917 -16.229 1.00 0.00 O ATOM 0 H GLY A 87 -4.947 -6.331 -13.876 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.972 -7.903 -13.580 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.484 -8.600 -15.104 1.00 0.00 H new ATOM 1408 N ARG A 88 -2.830 -5.369 -14.826 1.00 0.00 N ATOM 1409 CA ARG A 88 -2.135 -4.257 -15.462 1.00 0.00 C ATOM 1410 C ARG A 88 -1.032 -3.716 -14.558 1.00 0.00 C ATOM 1411 O ARG A 88 -1.303 -3.012 -13.585 1.00 0.00 O ATOM 1412 CB ARG A 88 -3.122 -3.140 -15.805 1.00 0.00 C ATOM 1413 CG ARG A 88 -3.905 -3.389 -17.083 1.00 0.00 C ATOM 1414 CD ARG A 88 -3.027 -3.233 -18.314 1.00 0.00 C ATOM 1415 NE ARG A 88 -2.673 -1.837 -18.560 1.00 0.00 N ATOM 1416 CZ ARG A 88 -3.545 -0.918 -18.961 1.00 0.00 C ATOM 1417 NH1 ARG A 88 -4.814 -1.245 -19.159 1.00 0.00 N ATOM 1418 NH2 ARG A 88 -3.147 0.332 -19.164 1.00 0.00 N ATOM 0 H ARG A 88 -3.411 -5.104 -14.031 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.679 -4.625 -16.381 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.822 -3.019 -14.978 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.576 -2.201 -15.901 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.328 -4.393 -17.062 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.741 -2.692 -17.140 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.118 -3.821 -18.188 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.547 -3.634 -19.184 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.704 -1.552 -18.416 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.124 -2.204 -19.004 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.481 -0.537 -19.467 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.171 0.588 -19.012 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.817 1.037 -19.472 1.00 0.00 H new ATOM 1432 N TRP A 89 0.211 -4.051 -14.885 1.00 0.00 N ATOM 1433 CA TRP A 89 1.356 -3.599 -14.101 1.00 0.00 C ATOM 1434 C TRP A 89 2.425 -2.990 -15.001 1.00 0.00 C ATOM 1435 O TRP A 89 2.964 -3.660 -15.881 1.00 0.00 O ATOM 1436 CB TRP A 89 1.945 -4.763 -13.303 1.00 0.00 C ATOM 1437 CG TRP A 89 2.979 -5.540 -14.061 1.00 0.00 C ATOM 1438 CD1 TRP A 89 2.764 -6.620 -14.868 1.00 0.00 C ATOM 1439 CD2 TRP A 89 4.390 -5.296 -14.080 1.00 0.00 C ATOM 1440 NE1 TRP A 89 3.956 -7.063 -15.388 1.00 0.00 N ATOM 1441 CE2 TRP A 89 4.968 -6.267 -14.921 1.00 0.00 C ATOM 1442 CE3 TRP A 89 5.220 -4.352 -13.471 1.00 0.00 C ATOM 1443 CZ2 TRP A 89 6.338 -6.320 -15.165 1.00 0.00 C ATOM 1444 CZ3 TRP A 89 6.579 -4.405 -13.714 1.00 0.00 C ATOM 1445 CH2 TRP A 89 7.127 -5.383 -14.555 1.00 0.00 C ATOM 0 H TRP A 89 0.452 -4.634 -15.687 1.00 0.00 H new ATOM 0 HA TRP A 89 1.011 -2.831 -13.408 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.391 -4.377 -12.386 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.140 -5.436 -13.007 1.00 0.00 H new ATOM 0 HD1 TRP A 89 1.799 -7.061 -15.068 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.069 -7.856 -16.019 1.00 0.00 H new ATOM 0 HE3 TRP A 89 4.807 -3.594 -12.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.762 -7.073 -15.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.230 -3.680 -13.248 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.193 -5.397 -14.725 1.00 0.00 H new ATOM 1456 N GLY A 90 2.729 -1.715 -14.774 1.00 0.00 N ATOM 1457 CA GLY A 90 3.733 -1.039 -15.573 1.00 0.00 C ATOM 1458 C GLY A 90 3.355 0.395 -15.887 1.00 0.00 C ATOM 1459 O GLY A 90 3.610 0.885 -16.987 1.00 0.00 O ATOM 0 H GLY A 90 2.297 -1.139 -14.051 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.685 -1.053 -15.042 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.880 -1.585 -16.505 1.00 0.00 H new ATOM 1463 N SER A 91 2.744 1.070 -14.918 1.00 0.00 N ATOM 1464 CA SER A 91 2.325 2.455 -15.098 1.00 0.00 C ATOM 1465 C SER A 91 2.315 3.197 -13.765 1.00 0.00 C ATOM 1466 O SER A 91 2.453 2.590 -12.704 1.00 0.00 O ATOM 1467 CB SER A 91 0.936 2.511 -15.737 1.00 0.00 C ATOM 1468 OG SER A 91 0.042 1.623 -15.090 1.00 0.00 O ATOM 0 H SER A 91 2.528 0.680 -14.001 1.00 0.00 H new ATOM 0 HA SER A 91 3.041 2.942 -15.760 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.547 3.528 -15.682 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.008 2.254 -16.794 1.00 0.00 H new ATOM 0 HG SER A 91 -0.839 1.678 -15.515 1.00 0.00 H new ATOM 1474 N GLU A 92 2.150 4.515 -13.830 1.00 0.00 N ATOM 1475 CA GLU A 92 2.122 5.340 -12.628 1.00 0.00 C ATOM 1476 C GLU A 92 0.771 6.032 -12.474 1.00 0.00 C ATOM 1477 O GLU A 92 0.641 7.006 -11.734 1.00 0.00 O ATOM 1478 CB GLU A 92 3.240 6.384 -12.674 1.00 0.00 C ATOM 1479 CG GLU A 92 3.009 7.479 -13.702 1.00 0.00 C ATOM 1480 CD GLU A 92 4.282 8.220 -14.062 1.00 0.00 C ATOM 1481 OE1 GLU A 92 4.755 9.023 -13.231 1.00 0.00 O ATOM 1482 OE2 GLU A 92 4.805 7.996 -15.174 1.00 0.00 O ATOM 0 H GLU A 92 2.034 5.033 -14.701 1.00 0.00 H new ATOM 0 HA GLU A 92 2.277 4.689 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.342 6.838 -11.688 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.183 5.884 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.581 7.041 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 92 2.278 8.188 -13.314 1.00 0.00 H new ATOM 1489 N ASN A 93 -0.233 5.521 -13.180 1.00 0.00 N ATOM 1490 CA ASN A 93 -1.574 6.090 -13.124 1.00 0.00 C ATOM 1491 C ASN A 93 -2.445 5.331 -12.127 1.00 0.00 C ATOM 1492 O ASN A 93 -2.926 4.235 -12.416 1.00 0.00 O ATOM 1493 CB ASN A 93 -2.222 6.061 -14.510 1.00 0.00 C ATOM 1494 CG ASN A 93 -1.926 7.314 -15.312 1.00 0.00 C ATOM 1495 OD1 ASN A 93 -0.857 7.911 -15.181 1.00 0.00 O ATOM 1496 ND2 ASN A 93 -2.875 7.719 -16.148 1.00 0.00 N ATOM 0 H ASN A 93 -0.143 4.714 -13.797 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.489 7.125 -12.792 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.864 5.189 -15.058 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.301 5.948 -14.402 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.733 8.556 -16.714 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.746 7.193 -16.224 1.00 0.00 H new ATOM 1503 N VAL A 94 -2.645 5.922 -10.954 1.00 0.00 N ATOM 1504 CA VAL A 94 -3.459 5.304 -9.915 1.00 0.00 C ATOM 1505 C VAL A 94 -4.240 6.353 -9.131 1.00 0.00 C ATOM 1506 O VAL A 94 -3.661 7.293 -8.586 1.00 0.00 O ATOM 1507 CB VAL A 94 -2.595 4.486 -8.937 1.00 0.00 C ATOM 1508 CG1 VAL A 94 -1.989 3.280 -9.639 1.00 0.00 C ATOM 1509 CG2 VAL A 94 -1.509 5.359 -8.327 1.00 0.00 C ATOM 0 H VAL A 94 -2.254 6.829 -10.699 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.158 4.635 -10.417 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.234 4.124 -8.131 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.382 2.714 -8.932 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.786 2.644 -10.023 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.364 3.617 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.908 4.765 -7.639 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.871 5.752 -9.118 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -1.968 6.186 -7.786 1.00 0.00 H new ATOM 1519 N ASP A 95 -5.556 6.185 -9.077 1.00 0.00 N ATOM 1520 CA ASP A 95 -6.418 7.116 -8.358 1.00 0.00 C ATOM 1521 C ASP A 95 -6.881 6.516 -7.034 1.00 0.00 C ATOM 1522 O ASP A 95 -6.964 5.297 -6.890 1.00 0.00 O ATOM 1523 CB ASP A 95 -7.628 7.490 -9.215 1.00 0.00 C ATOM 1524 CG ASP A 95 -7.252 8.353 -10.403 1.00 0.00 C ATOM 1525 OD1 ASP A 95 -6.354 7.948 -11.171 1.00 0.00 O ATOM 1526 OD2 ASP A 95 -7.856 9.434 -10.566 1.00 0.00 O ATOM 0 H ASP A 95 -6.050 5.412 -9.523 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.842 8.017 -8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.113 6.581 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.355 8.020 -8.600 1.00 0.00 H new ATOM 1531 N ASP A 96 -7.181 7.381 -6.072 1.00 0.00 N ATOM 1532 CA ASP A 96 -7.637 6.937 -4.760 1.00 0.00 C ATOM 1533 C ASP A 96 -9.116 6.566 -4.795 1.00 0.00 C ATOM 1534 O ASP A 96 -9.742 6.373 -3.754 1.00 0.00 O ATOM 1535 CB ASP A 96 -7.397 8.029 -3.716 1.00 0.00 C ATOM 1536 CG ASP A 96 -8.329 9.212 -3.891 1.00 0.00 C ATOM 1537 OD1 ASP A 96 -9.538 9.059 -3.618 1.00 0.00 O ATOM 1538 OD2 ASP A 96 -7.850 10.290 -4.301 1.00 0.00 O ATOM 0 H ASP A 96 -7.117 8.394 -6.176 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.065 6.051 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.530 7.610 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -6.364 8.371 -3.783 1.00 0.00 H new ATOM 1543 N ASN A 97 -9.668 6.469 -6.000 1.00 0.00 N ATOM 1544 CA ASN A 97 -11.075 6.123 -6.171 1.00 0.00 C ATOM 1545 C ASN A 97 -11.284 4.617 -6.044 1.00 0.00 C ATOM 1546 O ASN A 97 -10.330 3.861 -5.862 1.00 0.00 O ATOM 1547 CB ASN A 97 -11.579 6.606 -7.532 1.00 0.00 C ATOM 1548 CG ASN A 97 -10.980 7.942 -7.929 1.00 0.00 C ATOM 1549 OD1 ASN A 97 -10.681 8.779 -7.077 1.00 0.00 O ATOM 1550 ND2 ASN A 97 -10.802 8.147 -9.229 1.00 0.00 N ATOM 0 H ASN A 97 -9.163 6.625 -6.872 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.643 6.619 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -11.337 5.862 -8.291 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.665 6.692 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.403 9.027 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.064 7.425 -9.900 1.00 0.00 H new ATOM 1557 N ASN A 98 -12.538 4.189 -6.142 1.00 0.00 N ATOM 1558 CA ASN A 98 -12.873 2.773 -6.038 1.00 0.00 C ATOM 1559 C ASN A 98 -12.192 1.971 -7.143 1.00 0.00 C ATOM 1560 O ASN A 98 -12.638 1.974 -8.290 1.00 0.00 O ATOM 1561 CB ASN A 98 -14.388 2.579 -6.112 1.00 0.00 C ATOM 1562 CG ASN A 98 -15.042 3.512 -7.113 1.00 0.00 C ATOM 1563 OD1 ASN A 98 -15.577 4.558 -6.747 1.00 0.00 O ATOM 1564 ND2 ASN A 98 -15.002 3.135 -8.386 1.00 0.00 N ATOM 0 H ASN A 98 -13.339 4.802 -6.293 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.514 2.410 -5.075 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -14.606 1.547 -6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -14.822 2.747 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -15.426 3.721 -9.105 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -14.548 2.259 -8.644 1.00 0.00 H new ATOM 1571 N GLN A 99 -11.110 1.285 -6.788 1.00 0.00 N ATOM 1572 CA GLN A 99 -10.368 0.479 -7.750 1.00 0.00 C ATOM 1573 C GLN A 99 -9.734 -0.731 -7.071 1.00 0.00 C ATOM 1574 O GLN A 99 -8.721 -0.610 -6.381 1.00 0.00 O ATOM 1575 CB GLN A 99 -9.287 1.322 -8.428 1.00 0.00 C ATOM 1576 CG GLN A 99 -9.840 2.486 -9.234 1.00 0.00 C ATOM 1577 CD GLN A 99 -8.828 3.054 -10.209 1.00 0.00 C ATOM 1578 OE1 GLN A 99 -8.398 4.200 -10.077 1.00 0.00 O ATOM 1579 NE2 GLN A 99 -8.442 2.254 -11.196 1.00 0.00 N ATOM 0 H GLN A 99 -10.728 1.271 -5.842 1.00 0.00 H new ATOM 0 HA GLN A 99 -11.069 0.124 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -8.608 1.708 -7.667 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -8.698 0.682 -9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -10.722 2.156 -9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.164 3.273 -8.553 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.824 1.311 -11.267 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.763 2.582 -11.883 1.00 0.00 H new ATOM 1588 N LEU A 100 -10.336 -1.898 -7.271 1.00 0.00 N ATOM 1589 CA LEU A 100 -9.831 -3.132 -6.678 1.00 0.00 C ATOM 1590 C LEU A 100 -8.403 -3.411 -7.137 1.00 0.00 C ATOM 1591 O LEU A 100 -8.075 -3.250 -8.313 1.00 0.00 O ATOM 1592 CB LEU A 100 -10.737 -4.307 -7.048 1.00 0.00 C ATOM 1593 CG LEU A 100 -11.980 -4.496 -6.178 1.00 0.00 C ATOM 1594 CD1 LEU A 100 -12.842 -5.628 -6.717 1.00 0.00 C ATOM 1595 CD2 LEU A 100 -11.585 -4.765 -4.734 1.00 0.00 C ATOM 0 H LEU A 100 -11.175 -2.016 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.828 -3.011 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.058 -4.181 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.146 -5.222 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.564 -3.576 -6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.722 -5.748 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.155 -5.394 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -12.267 -6.554 -6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.483 -4.897 -4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -10.979 -5.669 -4.685 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.010 -3.922 -4.351 1.00 0.00 H new ATOM 1607 N PHE A 101 -7.559 -3.833 -6.202 1.00 0.00 N ATOM 1608 CA PHE A 101 -6.166 -4.137 -6.510 1.00 0.00 C ATOM 1609 C PHE A 101 -5.756 -5.478 -5.910 1.00 0.00 C ATOM 1610 O PHE A 101 -6.513 -6.090 -5.156 1.00 0.00 O ATOM 1611 CB PHE A 101 -5.252 -3.029 -5.984 1.00 0.00 C ATOM 1612 CG PHE A 101 -5.015 -1.925 -6.975 1.00 0.00 C ATOM 1613 CD1 PHE A 101 -4.199 -2.128 -8.076 1.00 0.00 C ATOM 1614 CD2 PHE A 101 -5.610 -0.685 -6.806 1.00 0.00 C ATOM 1615 CE1 PHE A 101 -3.979 -1.114 -8.989 1.00 0.00 C ATOM 1616 CE2 PHE A 101 -5.394 0.332 -7.716 1.00 0.00 C ATOM 1617 CZ PHE A 101 -4.578 0.117 -8.809 1.00 0.00 C ATOM 0 H PHE A 101 -7.815 -3.972 -5.225 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.065 -4.198 -7.594 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -5.690 -2.607 -5.080 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -4.293 -3.464 -5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.729 -3.089 -8.223 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -6.250 -0.512 -5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.339 -1.284 -9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.863 1.294 -7.573 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.409 0.910 -9.522 1.00 0.00 H new ATOM 1627 N ARG A 102 -4.553 -5.929 -6.249 1.00 0.00 N ATOM 1628 CA ARG A 102 -4.042 -7.198 -5.746 1.00 0.00 C ATOM 1629 C ARG A 102 -2.518 -7.186 -5.687 1.00 0.00 C ATOM 1630 O ARG A 102 -1.871 -6.310 -6.260 1.00 0.00 O ATOM 1631 CB ARG A 102 -4.519 -8.352 -6.631 1.00 0.00 C ATOM 1632 CG ARG A 102 -3.952 -8.313 -8.040 1.00 0.00 C ATOM 1633 CD ARG A 102 -4.689 -9.269 -8.964 1.00 0.00 C ATOM 1634 NE ARG A 102 -4.119 -10.613 -8.929 1.00 0.00 N ATOM 1635 CZ ARG A 102 -4.447 -11.528 -8.023 1.00 0.00 C ATOM 1636 NH1 ARG A 102 -5.337 -11.244 -7.083 1.00 0.00 N ATOM 1637 NH2 ARG A 102 -3.884 -12.729 -8.058 1.00 0.00 N ATOM 0 H ARG A 102 -3.914 -5.434 -6.871 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.427 -7.340 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.242 -9.296 -6.163 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -5.607 -8.331 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.022 -7.299 -8.433 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.894 -8.573 -8.015 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.739 -9.313 -8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.653 -8.887 -9.984 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.431 -10.863 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.772 -10.322 -7.054 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.587 -11.948 -6.388 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.199 -12.950 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.136 -13.431 -7.362 1.00 0.00 H new ATOM 1651 N PHE A 103 -1.950 -8.164 -4.988 1.00 0.00 N ATOM 1652 CA PHE A 103 -0.501 -8.265 -4.853 1.00 0.00 C ATOM 1653 C PHE A 103 0.048 -9.396 -5.716 1.00 0.00 C ATOM 1654 O PHE A 103 -0.546 -10.469 -5.830 1.00 0.00 O ATOM 1655 CB PHE A 103 -0.120 -8.493 -3.389 1.00 0.00 C ATOM 1656 CG PHE A 103 1.221 -7.923 -3.022 1.00 0.00 C ATOM 1657 CD1 PHE A 103 1.362 -6.573 -2.746 1.00 0.00 C ATOM 1658 CD2 PHE A 103 2.340 -8.737 -2.955 1.00 0.00 C ATOM 1659 CE1 PHE A 103 2.594 -6.045 -2.409 1.00 0.00 C ATOM 1660 CE2 PHE A 103 3.574 -8.215 -2.617 1.00 0.00 C ATOM 1661 CZ PHE A 103 3.701 -6.867 -2.345 1.00 0.00 C ATOM 0 H PHE A 103 -2.471 -8.897 -4.507 1.00 0.00 H new ATOM 0 HA PHE A 103 -0.062 -7.327 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.882 -8.047 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.119 -9.564 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.499 -5.925 -2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.247 -9.791 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 103 2.690 -4.991 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.438 -8.861 -2.566 1.00 0.00 H new ATOM 0 HZ PHE A 103 4.665 -6.457 -2.083 1.00 0.00 H new ATOM 1671 N PRO A 104 1.211 -9.153 -6.339 1.00 0.00 N ATOM 1672 CA PRO A 104 1.867 -10.139 -7.204 1.00 0.00 C ATOM 1673 C PRO A 104 2.424 -11.320 -6.416 1.00 0.00 C ATOM 1674 O PRO A 104 2.327 -11.362 -5.190 1.00 0.00 O ATOM 1675 CB PRO A 104 3.004 -9.343 -7.850 1.00 0.00 C ATOM 1676 CG PRO A 104 3.291 -8.243 -6.887 1.00 0.00 C ATOM 1677 CD PRO A 104 1.974 -7.898 -6.249 1.00 0.00 C ATOM 0 HA PRO A 104 1.174 -10.577 -7.922 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.883 -9.967 -8.011 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.709 -8.950 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 104 4.017 -8.560 -6.138 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.716 -7.379 -7.397 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.100 -7.578 -5.215 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.474 -7.085 -6.775 1.00 0.00 H new ATOM 1685 N ALA A 105 3.007 -12.278 -7.129 1.00 0.00 N ATOM 1686 CA ALA A 105 3.582 -13.459 -6.497 1.00 0.00 C ATOM 1687 C ALA A 105 5.082 -13.291 -6.281 1.00 0.00 C ATOM 1688 O ALA A 105 5.745 -12.552 -7.010 1.00 0.00 O ATOM 1689 CB ALA A 105 3.302 -14.697 -7.337 1.00 0.00 C ATOM 0 H ALA A 105 3.094 -12.259 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 105 3.113 -13.583 -5.521 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.737 -15.571 -6.853 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.225 -14.835 -7.434 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.743 -14.573 -8.326 1.00 0.00 H new TER 1695 ALA A 105