USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 792 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 26 LYS NZ :NH3+ -141:sc= 0.0251 (180deg=0) USER MOD Set 1.2: A 37 THR OG1 : rot -150:sc= 0.0261 USER MOD Set 2.1: A 16 LYS NZ :NH3+ -179:sc= 1.17 (180deg=0.37) USER MOD Set 2.2: A 21 TYR OH : rot 26:sc= 1.27 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 37:sc= 0.681 USER MOD Single : A 5 SER OG : rot 1:sc= 0.639 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.688 X(o=-0.69,f=-1.1!) USER MOD Single : A 12 CYS SG : rot -100:sc= -0.508 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 37:sc= 0.186 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 31 LYS NZ :NH3+ -157:sc= -0.154 (180deg=-0.758) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 130:sc= -0.0846 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= 0.0924 K(o=0.092,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= -4.98! C(o=-5!,f=-5.9!) USER MOD Single : A 63 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -1.79! C(o=-1.8!,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ 142:sc= -0.518 (180deg=-1.8!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -105:sc= -0.22! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -174:sc= 0 (180deg=-0.0266) USER MOD Single : A 90 LYS NZ :NH3+ -107:sc= -0.292 (180deg=-0.802) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= -3.35! K(o=-3.3!,f=-1.3) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc=-0.00405 (180deg=-0.18) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.299 -7.170 -21.416 1.00 0.00 N ATOM 2 CA GLY A 1 18.309 -7.815 -20.573 1.00 0.00 C ATOM 3 C GLY A 1 17.558 -6.828 -19.702 1.00 0.00 C ATOM 4 O GLY A 1 17.731 -6.808 -18.483 1.00 0.00 O ATOM 0 H1 GLY A 1 19.785 -7.887 -21.992 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.829 -6.484 -22.041 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.993 -6.676 -20.820 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.599 -8.355 -21.200 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.801 -8.553 -19.939 1.00 0.00 H new ATOM 8 N SER A 2 16.722 -6.006 -20.327 1.00 0.00 N ATOM 9 CA SER A 2 15.946 -5.007 -19.601 1.00 0.00 C ATOM 10 C SER A 2 14.843 -5.668 -18.780 1.00 0.00 C ATOM 11 O SER A 2 13.981 -6.361 -19.321 1.00 0.00 O ATOM 12 CB SER A 2 15.336 -3.998 -20.576 1.00 0.00 C ATOM 13 OG SER A 2 16.238 -2.938 -20.843 1.00 0.00 O ATOM 0 H SER A 2 16.564 -6.012 -21.335 1.00 0.00 H new ATOM 0 HA SER A 2 16.618 -4.484 -18.921 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.074 -4.500 -21.507 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.412 -3.597 -20.159 1.00 0.00 H new ATOM 0 HG SER A 2 15.826 -2.308 -21.470 1.00 0.00 H new ATOM 19 N SER A 3 14.878 -5.449 -17.469 1.00 0.00 N ATOM 20 CA SER A 3 13.885 -6.026 -16.571 1.00 0.00 C ATOM 21 C SER A 3 12.983 -4.942 -15.990 1.00 0.00 C ATOM 22 O SER A 3 13.417 -4.129 -15.174 1.00 0.00 O ATOM 23 CB SER A 3 14.573 -6.793 -15.440 1.00 0.00 C ATOM 24 OG SER A 3 15.432 -5.945 -14.698 1.00 0.00 O ATOM 0 H SER A 3 15.583 -4.876 -17.006 1.00 0.00 H new ATOM 0 HA SER A 3 13.269 -6.717 -17.147 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.821 -7.223 -14.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.145 -7.623 -15.855 1.00 0.00 H new ATOM 0 HG SER A 3 15.027 -5.056 -14.621 1.00 0.00 H new ATOM 30 N GLY A 4 11.724 -4.936 -16.416 1.00 0.00 N ATOM 31 CA GLY A 4 10.780 -3.947 -15.929 1.00 0.00 C ATOM 32 C GLY A 4 9.521 -3.883 -16.771 1.00 0.00 C ATOM 33 O GLY A 4 9.165 -2.823 -17.287 1.00 0.00 O ATOM 0 H GLY A 4 11.341 -5.599 -17.090 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.513 -4.181 -14.899 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.257 -2.967 -15.920 1.00 0.00 H new ATOM 37 N SER A 5 8.846 -5.019 -16.912 1.00 0.00 N ATOM 38 CA SER A 5 7.623 -5.088 -17.703 1.00 0.00 C ATOM 39 C SER A 5 6.443 -5.525 -16.840 1.00 0.00 C ATOM 40 O SER A 5 6.460 -6.603 -16.245 1.00 0.00 O ATOM 41 CB SER A 5 7.801 -6.058 -18.873 1.00 0.00 C ATOM 42 OG SER A 5 7.711 -7.404 -18.438 1.00 0.00 O ATOM 0 H SER A 5 9.125 -5.904 -16.489 1.00 0.00 H new ATOM 0 HA SER A 5 7.416 -4.092 -18.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.039 -5.865 -19.629 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.769 -5.889 -19.345 1.00 0.00 H new ATOM 0 HG SER A 5 7.543 -7.425 -17.473 1.00 0.00 H new ATOM 48 N SER A 6 5.419 -4.680 -16.777 1.00 0.00 N ATOM 49 CA SER A 6 4.231 -4.976 -15.985 1.00 0.00 C ATOM 50 C SER A 6 3.731 -6.391 -16.262 1.00 0.00 C ATOM 51 O SER A 6 3.377 -6.726 -17.391 1.00 0.00 O ATOM 52 CB SER A 6 3.124 -3.964 -16.289 1.00 0.00 C ATOM 53 OG SER A 6 2.088 -4.038 -15.325 1.00 0.00 O ATOM 0 H SER A 6 5.388 -3.785 -17.265 1.00 0.00 H new ATOM 0 HA SER A 6 4.501 -4.904 -14.931 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.541 -2.957 -16.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.716 -4.154 -17.282 1.00 0.00 H new ATOM 0 HG SER A 6 1.394 -3.381 -15.540 1.00 0.00 H new ATOM 59 N GLY A 7 3.707 -7.218 -15.221 1.00 0.00 N ATOM 60 CA GLY A 7 3.250 -8.587 -15.372 1.00 0.00 C ATOM 61 C GLY A 7 1.759 -8.730 -15.140 1.00 0.00 C ATOM 62 O GLY A 7 0.971 -7.912 -15.615 1.00 0.00 O ATOM 0 H GLY A 7 3.996 -6.964 -14.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.494 -8.940 -16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.787 -9.225 -14.670 1.00 0.00 H new ATOM 66 N GLN A 8 1.372 -9.771 -14.410 1.00 0.00 N ATOM 67 CA GLN A 8 -0.035 -10.018 -14.120 1.00 0.00 C ATOM 68 C GLN A 8 -0.624 -8.889 -13.280 1.00 0.00 C ATOM 69 O GLN A 8 -1.572 -8.213 -13.681 1.00 0.00 O ATOM 70 CB GLN A 8 -0.200 -11.352 -13.390 1.00 0.00 C ATOM 71 CG GLN A 8 -0.497 -12.520 -14.317 1.00 0.00 C ATOM 72 CD GLN A 8 -1.566 -12.194 -15.342 1.00 0.00 C ATOM 73 OE1 GLN A 8 -1.263 -11.774 -16.460 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.825 -12.385 -14.967 1.00 0.00 N ATOM 0 H GLN A 8 2.012 -10.456 -14.009 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.573 -10.061 -15.067 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.711 -11.566 -12.830 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.007 -11.262 -12.663 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.418 -12.812 -14.832 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.816 -13.377 -13.724 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.031 -12.735 -14.031 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.586 -12.182 -15.615 1.00 0.00 H new ATOM 83 N PRO A 9 -0.052 -8.680 -12.085 1.00 0.00 N ATOM 84 CA PRO A 9 -0.504 -7.633 -11.163 1.00 0.00 C ATOM 85 C PRO A 9 -0.181 -6.233 -11.673 1.00 0.00 C ATOM 86 O PRO A 9 0.342 -6.068 -12.776 1.00 0.00 O ATOM 87 CB PRO A 9 0.278 -7.928 -9.881 1.00 0.00 C ATOM 88 CG PRO A 9 1.499 -8.649 -10.339 1.00 0.00 C ATOM 89 CD PRO A 9 1.082 -9.447 -11.542 1.00 0.00 C ATOM 0 HA PRO A 9 -1.586 -7.645 -11.031 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.535 -7.009 -9.354 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.307 -8.538 -9.192 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.294 -7.948 -10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.886 -9.299 -9.554 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.892 -9.534 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.788 -10.461 -11.269 1.00 0.00 H new ATOM 97 N ARG A 10 -0.497 -5.226 -10.865 1.00 0.00 N ATOM 98 CA ARG A 10 -0.241 -3.840 -11.235 1.00 0.00 C ATOM 99 C ARG A 10 0.961 -3.287 -10.475 1.00 0.00 C ATOM 100 O ARG A 10 0.986 -3.291 -9.244 1.00 0.00 O ATOM 101 CB ARG A 10 -1.475 -2.979 -10.955 1.00 0.00 C ATOM 102 CG ARG A 10 -1.499 -1.676 -11.738 1.00 0.00 C ATOM 103 CD ARG A 10 -2.922 -1.226 -12.027 1.00 0.00 C ATOM 104 NE ARG A 10 -3.583 -0.702 -10.835 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.731 -0.034 -10.865 1.00 0.00 C ATOM 106 NH1 ARG A 10 -5.341 0.191 -12.020 1.00 0.00 N ATOM 107 NH2 ARG A 10 -5.271 0.411 -9.737 1.00 0.00 N ATOM 0 H ARG A 10 -0.931 -5.345 -9.950 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.019 -3.810 -12.302 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.370 -3.553 -11.194 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.516 -2.754 -9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.979 -0.902 -11.174 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.959 -1.804 -12.676 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.909 -0.459 -12.801 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.495 -2.066 -12.420 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.139 -0.857 -9.930 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.929 -0.149 -12.889 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.222 0.704 -12.040 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.805 0.240 -8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.152 0.924 -9.761 1.00 0.00 H new ATOM 121 N LEU A 11 1.956 -2.812 -11.217 1.00 0.00 N ATOM 122 CA LEU A 11 3.162 -2.256 -10.614 1.00 0.00 C ATOM 123 C LEU A 11 2.939 -0.809 -10.185 1.00 0.00 C ATOM 124 O LEU A 11 2.775 0.079 -11.022 1.00 0.00 O ATOM 125 CB LEU A 11 4.330 -2.333 -11.598 1.00 0.00 C ATOM 126 CG LEU A 11 5.706 -1.976 -11.035 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.672 -0.611 -10.366 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.174 -3.042 -10.054 1.00 0.00 C ATOM 0 H LEU A 11 1.951 -2.801 -12.237 1.00 0.00 H new ATOM 0 HA LEU A 11 3.401 -2.846 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.375 -3.346 -11.999 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.118 -1.668 -12.435 1.00 0.00 H new ATOM 0 HG LEU A 11 6.416 -1.934 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.660 -0.374 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.382 0.145 -11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.949 -0.624 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.155 -2.771 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.463 -3.116 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.239 -4.003 -10.565 1.00 0.00 H new ATOM 140 N CYS A 12 2.935 -0.580 -8.876 1.00 0.00 N ATOM 141 CA CYS A 12 2.734 0.760 -8.336 1.00 0.00 C ATOM 142 C CYS A 12 4.069 1.425 -8.019 1.00 0.00 C ATOM 143 O CYS A 12 4.758 1.040 -7.074 1.00 0.00 O ATOM 144 CB CYS A 12 1.869 0.699 -7.075 1.00 0.00 C ATOM 145 SG CYS A 12 0.267 -0.104 -7.317 1.00 0.00 S ATOM 0 H CYS A 12 3.068 -1.304 -8.170 1.00 0.00 H new ATOM 0 HA CYS A 12 2.222 1.356 -9.091 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.416 0.167 -6.297 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.704 1.713 -6.711 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.656 0.801 -7.453 1.00 0.00 H new ATOM 151 N TYR A 13 4.430 2.424 -8.817 1.00 0.00 N ATOM 152 CA TYR A 13 5.686 3.141 -8.624 1.00 0.00 C ATOM 153 C TYR A 13 5.472 4.399 -7.789 1.00 0.00 C ATOM 154 O TYR A 13 4.910 5.387 -8.264 1.00 0.00 O ATOM 155 CB TYR A 13 6.298 3.511 -9.976 1.00 0.00 C ATOM 156 CG TYR A 13 7.810 3.526 -9.972 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.536 2.342 -9.999 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.512 4.725 -9.940 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.918 2.351 -9.995 1.00 0.00 C ATOM 160 CE2 TYR A 13 9.893 4.744 -9.937 1.00 0.00 C ATOM 161 CZ TYR A 13 10.592 3.554 -9.964 1.00 0.00 C ATOM 162 OH TYR A 13 11.968 3.569 -9.959 1.00 0.00 O ATOM 0 H TYR A 13 3.871 2.756 -9.603 1.00 0.00 H new ATOM 0 HA TYR A 13 6.372 2.484 -8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.952 2.802 -10.728 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.934 4.494 -10.273 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.011 1.398 -10.024 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.968 5.658 -9.917 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.467 1.421 -10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.423 5.685 -9.914 1.00 0.00 H new ATOM 0 HH TYR A 13 12.285 4.496 -9.937 1.00 0.00 H new ATOM 172 N LEU A 14 5.926 4.356 -6.541 1.00 0.00 N ATOM 173 CA LEU A 14 5.787 5.492 -5.637 1.00 0.00 C ATOM 174 C LEU A 14 7.011 6.400 -5.709 1.00 0.00 C ATOM 175 O LEU A 14 8.137 5.929 -5.867 1.00 0.00 O ATOM 176 CB LEU A 14 5.584 5.005 -4.201 1.00 0.00 C ATOM 177 CG LEU A 14 4.146 4.673 -3.802 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.439 5.912 -3.273 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.386 4.086 -4.983 1.00 0.00 C ATOM 0 H LEU A 14 6.393 3.547 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 14 4.913 6.065 -5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.196 4.116 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.961 5.770 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 14 4.173 3.928 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.417 5.656 -2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.970 6.289 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.423 6.680 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.365 3.856 -4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.369 4.808 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.880 3.173 -5.316 1.00 0.00 H new ATOM 191 N VAL A 15 6.782 7.704 -5.592 1.00 0.00 N ATOM 192 CA VAL A 15 7.866 8.678 -5.641 1.00 0.00 C ATOM 193 C VAL A 15 7.665 9.778 -4.605 1.00 0.00 C ATOM 194 O VAL A 15 6.661 10.491 -4.628 1.00 0.00 O ATOM 195 CB VAL A 15 7.983 9.317 -7.037 1.00 0.00 C ATOM 196 CG1 VAL A 15 8.901 10.530 -6.994 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.481 8.298 -8.050 1.00 0.00 C ATOM 0 H VAL A 15 5.855 8.110 -5.463 1.00 0.00 H new ATOM 0 HA VAL A 15 8.786 8.138 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 15 6.993 9.651 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.972 10.968 -7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.497 11.268 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.893 10.224 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.557 8.767 -9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.461 7.932 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.782 7.464 -8.101 1.00 0.00 H new ATOM 207 N LYS A 16 8.625 9.911 -3.697 1.00 0.00 N ATOM 208 CA LYS A 16 8.555 10.925 -2.652 1.00 0.00 C ATOM 209 C LYS A 16 8.332 12.309 -3.252 1.00 0.00 C ATOM 210 O LYS A 16 9.115 12.770 -4.081 1.00 0.00 O ATOM 211 CB LYS A 16 9.840 10.919 -1.820 1.00 0.00 C ATOM 212 CG LYS A 16 9.852 9.866 -0.726 1.00 0.00 C ATOM 213 CD LYS A 16 11.047 10.034 0.197 1.00 0.00 C ATOM 214 CE LYS A 16 11.016 9.028 1.337 1.00 0.00 C ATOM 215 NZ LYS A 16 11.480 7.681 0.903 1.00 0.00 N ATOM 0 H LYS A 16 9.462 9.329 -3.664 1.00 0.00 H new ATOM 0 HA LYS A 16 7.710 10.688 -2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.690 10.753 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.975 11.902 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.931 9.932 -0.146 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.875 8.873 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.968 9.912 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.055 11.046 0.603 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.646 9.384 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.001 8.954 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.427 7.021 1.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.874 7.337 0.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.463 7.743 0.570 1.00 0.00 H new ATOM 229 N GLU A 17 7.259 12.968 -2.825 1.00 0.00 N ATOM 230 CA GLU A 17 6.934 14.301 -3.320 1.00 0.00 C ATOM 231 C GLU A 17 6.855 15.304 -2.173 1.00 0.00 C ATOM 232 O GLU A 17 7.647 16.242 -2.098 1.00 0.00 O ATOM 233 CB GLU A 17 5.608 14.276 -4.083 1.00 0.00 C ATOM 234 CG GLU A 17 5.702 13.613 -5.447 1.00 0.00 C ATOM 235 CD GLU A 17 4.597 14.053 -6.387 1.00 0.00 C ATOM 236 OE1 GLU A 17 3.447 14.202 -5.923 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.882 14.248 -7.587 1.00 0.00 O ATOM 0 H GLU A 17 6.601 12.601 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 17 7.729 14.613 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.864 13.751 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.252 15.298 -4.209 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.668 13.846 -5.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.660 12.531 -5.324 1.00 0.00 H new ATOM 244 N GLY A 18 5.891 15.098 -1.280 1.00 0.00 N ATOM 245 CA GLY A 18 5.725 15.992 -0.149 1.00 0.00 C ATOM 246 C GLY A 18 5.584 15.246 1.163 1.00 0.00 C ATOM 247 O GLY A 18 4.822 14.286 1.261 1.00 0.00 O ATOM 0 H GLY A 18 5.223 14.328 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.582 16.663 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.843 16.613 -0.307 1.00 0.00 H new ATOM 251 N GLY A 19 6.324 15.688 2.176 1.00 0.00 N ATOM 252 CA GLY A 19 6.266 15.044 3.475 1.00 0.00 C ATOM 253 C GLY A 19 6.244 13.531 3.371 1.00 0.00 C ATOM 254 O GLY A 19 7.221 12.918 2.943 1.00 0.00 O ATOM 0 H GLY A 19 6.963 16.481 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.127 15.352 4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.376 15.382 4.005 1.00 0.00 H new ATOM 258 N SER A 20 5.126 12.929 3.765 1.00 0.00 N ATOM 259 CA SER A 20 4.983 11.478 3.719 1.00 0.00 C ATOM 260 C SER A 20 4.554 11.018 2.329 1.00 0.00 C ATOM 261 O SER A 20 4.221 11.833 1.468 1.00 0.00 O ATOM 262 CB SER A 20 3.964 11.012 4.760 1.00 0.00 C ATOM 263 OG SER A 20 2.645 11.356 4.373 1.00 0.00 O ATOM 0 H SER A 20 4.307 13.423 4.119 1.00 0.00 H new ATOM 0 HA SER A 20 5.953 11.035 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.039 9.932 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.193 11.464 5.725 1.00 0.00 H new ATOM 0 HG SER A 20 2.013 11.046 5.054 1.00 0.00 H new ATOM 269 N TYR A 21 4.564 9.707 2.118 1.00 0.00 N ATOM 270 CA TYR A 21 4.179 9.137 0.832 1.00 0.00 C ATOM 271 C TYR A 21 2.688 9.334 0.574 1.00 0.00 C ATOM 272 O TYR A 21 2.293 10.140 -0.266 1.00 0.00 O ATOM 273 CB TYR A 21 4.523 7.647 0.787 1.00 0.00 C ATOM 274 CG TYR A 21 5.911 7.363 0.259 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.199 7.485 -1.095 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.934 6.970 1.113 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.465 7.225 -1.583 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.204 6.709 0.634 1.00 0.00 C ATOM 279 CZ TYR A 21 8.464 6.838 -0.714 1.00 0.00 C ATOM 280 OH TYR A 21 9.727 6.578 -1.195 1.00 0.00 O ATOM 0 H TYR A 21 4.834 9.019 2.821 1.00 0.00 H new ATOM 0 HA TYR A 21 4.736 9.655 0.052 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.433 7.231 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.793 7.133 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.419 7.788 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.733 6.867 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.671 7.324 -2.638 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.988 6.406 1.312 1.00 0.00 H new ATOM 0 HH TYR A 21 9.872 7.082 -2.023 1.00 0.00 H new ATOM 290 N GLY A 22 1.864 8.589 1.306 1.00 0.00 N ATOM 291 CA GLY A 22 0.426 8.696 1.143 1.00 0.00 C ATOM 292 C GLY A 22 -0.278 7.365 1.318 1.00 0.00 C ATOM 293 O GLY A 22 -1.280 7.092 0.657 1.00 0.00 O ATOM 0 H GLY A 22 2.167 7.914 2.008 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.033 9.409 1.868 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.204 9.093 0.153 1.00 0.00 H new ATOM 297 N PHE A 23 0.248 6.532 2.211 1.00 0.00 N ATOM 298 CA PHE A 23 -0.335 5.221 2.469 1.00 0.00 C ATOM 299 C PHE A 23 0.034 4.727 3.865 1.00 0.00 C ATOM 300 O PHE A 23 0.949 5.253 4.499 1.00 0.00 O ATOM 301 CB PHE A 23 0.137 4.214 1.418 1.00 0.00 C ATOM 302 CG PHE A 23 1.621 3.979 1.436 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.206 3.241 2.452 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.429 4.497 0.437 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.571 3.023 2.472 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.794 4.282 0.451 1.00 0.00 C ATOM 307 CZ PHE A 23 4.366 3.545 1.470 1.00 0.00 C ATOM 0 H PHE A 23 1.077 6.742 2.768 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.419 5.315 2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.375 3.265 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.155 4.569 0.430 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.589 2.831 3.238 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.987 5.075 -0.361 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.015 2.446 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.413 4.690 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.433 3.377 1.483 1.00 0.00 H new ATOM 317 N SER A 24 -0.684 3.713 4.337 1.00 0.00 N ATOM 318 CA SER A 24 -0.436 3.151 5.659 1.00 0.00 C ATOM 319 C SER A 24 -0.304 1.633 5.587 1.00 0.00 C ATOM 320 O SER A 24 -0.702 1.009 4.603 1.00 0.00 O ATOM 321 CB SER A 24 -1.566 3.531 6.618 1.00 0.00 C ATOM 322 OG SER A 24 -1.094 3.620 7.952 1.00 0.00 O ATOM 0 H SER A 24 -1.442 3.264 3.823 1.00 0.00 H new ATOM 0 HA SER A 24 0.502 3.563 6.032 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.997 4.486 6.317 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.362 2.789 6.559 1.00 0.00 H new ATOM 0 HG SER A 24 -1.834 3.866 8.545 1.00 0.00 H new ATOM 328 N LEU A 25 0.258 1.044 6.637 1.00 0.00 N ATOM 329 CA LEU A 25 0.444 -0.402 6.695 1.00 0.00 C ATOM 330 C LEU A 25 0.002 -0.954 8.046 1.00 0.00 C ATOM 331 O LEU A 25 0.258 -0.353 9.089 1.00 0.00 O ATOM 332 CB LEU A 25 1.910 -0.758 6.441 1.00 0.00 C ATOM 333 CG LEU A 25 2.528 -0.187 5.164 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.047 -0.221 5.244 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.039 -0.956 3.945 1.00 0.00 C ATOM 0 H LEU A 25 0.593 1.545 7.460 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.173 -0.854 5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.499 -0.414 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.999 -1.844 6.410 1.00 0.00 H new ATOM 0 HG LEU A 25 2.213 0.852 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.469 0.189 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.380 0.374 6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.382 -1.251 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.489 -0.536 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.324 -2.004 4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.954 -0.879 3.878 1.00 0.00 H new ATOM 347 N LYS A 26 -0.663 -2.104 8.020 1.00 0.00 N ATOM 348 CA LYS A 26 -1.139 -2.741 9.242 1.00 0.00 C ATOM 349 C LYS A 26 -0.890 -4.245 9.204 1.00 0.00 C ATOM 350 O LYS A 26 -0.794 -4.843 8.132 1.00 0.00 O ATOM 351 CB LYS A 26 -2.632 -2.465 9.438 1.00 0.00 C ATOM 352 CG LYS A 26 -3.510 -3.078 8.360 1.00 0.00 C ATOM 353 CD LYS A 26 -4.821 -2.324 8.213 1.00 0.00 C ATOM 354 CE LYS A 26 -5.735 -2.556 9.406 1.00 0.00 C ATOM 355 NZ LYS A 26 -7.122 -2.082 9.143 1.00 0.00 N ATOM 0 H LYS A 26 -0.885 -2.614 7.165 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.585 -2.320 10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.940 -2.852 10.409 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.794 -1.387 9.458 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.977 -3.072 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.714 -4.120 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.619 -1.258 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.325 -2.643 7.300 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.754 -3.619 9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.333 -2.038 10.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.506 -1.638 10.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.111 -1.387 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.720 -2.890 8.874 1.00 0.00 H new ATOM 369 N THR A 27 -0.788 -4.854 10.382 1.00 0.00 N ATOM 370 CA THR A 27 -0.551 -6.288 10.484 1.00 0.00 C ATOM 371 C THR A 27 -1.767 -7.007 11.057 1.00 0.00 C ATOM 372 O THR A 27 -2.297 -6.619 12.098 1.00 0.00 O ATOM 373 CB THR A 27 0.675 -6.594 11.365 1.00 0.00 C ATOM 374 OG1 THR A 27 0.431 -6.166 12.709 1.00 0.00 O ATOM 375 CG2 THR A 27 1.916 -5.900 10.824 1.00 0.00 C ATOM 0 H THR A 27 -0.866 -4.375 11.279 1.00 0.00 H new ATOM 0 HA THR A 27 -0.362 -6.649 9.473 1.00 0.00 H new ATOM 0 HB THR A 27 0.845 -7.671 11.352 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.508 -6.326 12.938 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.769 -6.130 11.462 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.116 -6.249 9.811 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.754 -4.822 10.811 1.00 0.00 H new ATOM 383 N VAL A 28 -2.204 -8.059 10.371 1.00 0.00 N ATOM 384 CA VAL A 28 -3.357 -8.834 10.814 1.00 0.00 C ATOM 385 C VAL A 28 -2.928 -10.185 11.376 1.00 0.00 C ATOM 386 O VAL A 28 -2.077 -10.864 10.802 1.00 0.00 O ATOM 387 CB VAL A 28 -4.355 -9.063 9.663 1.00 0.00 C ATOM 388 CG1 VAL A 28 -5.562 -9.848 10.151 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.781 -7.734 9.057 1.00 0.00 C ATOM 0 H VAL A 28 -1.777 -8.394 9.507 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.845 -8.255 11.599 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.862 -9.649 8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.256 -10.000 9.324 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.236 -10.815 10.534 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.060 -9.292 10.945 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.486 -7.914 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.257 -7.121 9.822 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.905 -7.214 8.669 1.00 0.00 H new ATOM 399 N GLN A 29 -3.524 -10.568 12.500 1.00 0.00 N ATOM 400 CA GLN A 29 -3.203 -11.838 13.140 1.00 0.00 C ATOM 401 C GLN A 29 -3.690 -13.011 12.296 1.00 0.00 C ATOM 402 O GLN A 29 -2.893 -13.809 11.804 1.00 0.00 O ATOM 403 CB GLN A 29 -3.828 -11.904 14.534 1.00 0.00 C ATOM 404 CG GLN A 29 -3.127 -12.875 15.471 1.00 0.00 C ATOM 405 CD GLN A 29 -1.961 -12.241 16.203 1.00 0.00 C ATOM 406 OE1 GLN A 29 -0.953 -11.879 15.595 1.00 0.00 O ATOM 407 NE2 GLN A 29 -2.092 -12.102 17.517 1.00 0.00 N ATOM 0 H GLN A 29 -4.232 -10.017 12.986 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.119 -11.905 13.232 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.812 -10.909 14.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.874 -12.194 14.440 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.845 -13.254 16.198 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.770 -13.732 14.899 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.945 -12.416 17.981 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.340 -11.681 18.063 1.00 0.00 H new ATOM 416 N GLY A 30 -5.006 -13.110 12.132 1.00 0.00 N ATOM 417 CA GLY A 30 -5.577 -14.189 11.347 1.00 0.00 C ATOM 418 C GLY A 30 -4.909 -14.339 9.995 1.00 0.00 C ATOM 419 O GLY A 30 -4.796 -15.446 9.468 1.00 0.00 O ATOM 0 H GLY A 30 -5.687 -12.462 12.529 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.485 -15.124 11.900 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.642 -14.006 11.204 1.00 0.00 H new ATOM 423 N LYS A 31 -4.465 -13.221 9.429 1.00 0.00 N ATOM 424 CA LYS A 31 -3.805 -13.231 8.129 1.00 0.00 C ATOM 425 C LYS A 31 -2.305 -12.996 8.279 1.00 0.00 C ATOM 426 O LYS A 31 -1.794 -12.868 9.391 1.00 0.00 O ATOM 427 CB LYS A 31 -4.411 -12.161 7.218 1.00 0.00 C ATOM 428 CG LYS A 31 -5.926 -12.223 7.133 1.00 0.00 C ATOM 429 CD LYS A 31 -6.470 -11.211 6.138 1.00 0.00 C ATOM 430 CE LYS A 31 -7.926 -11.490 5.799 1.00 0.00 C ATOM 431 NZ LYS A 31 -8.116 -12.862 5.253 1.00 0.00 N ATOM 0 H LYS A 31 -4.551 -12.296 9.851 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.958 -14.212 7.679 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.116 -11.177 7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.994 -12.270 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.234 -13.226 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -6.355 -12.034 8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.378 -10.207 6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.872 -11.237 5.227 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.537 -11.367 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.276 -10.758 5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.988 -12.893 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.305 -13.112 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.188 -13.541 6.038 1.00 0.00 H new ATOM 445 N LYS A 32 -1.604 -12.938 7.151 1.00 0.00 N ATOM 446 CA LYS A 32 -0.163 -12.715 7.156 1.00 0.00 C ATOM 447 C LYS A 32 0.230 -11.680 6.107 1.00 0.00 C ATOM 448 O LYS A 32 -0.494 -11.458 5.137 1.00 0.00 O ATOM 449 CB LYS A 32 0.577 -14.029 6.895 1.00 0.00 C ATOM 450 CG LYS A 32 -0.125 -14.936 5.899 1.00 0.00 C ATOM 451 CD LYS A 32 0.808 -16.013 5.371 1.00 0.00 C ATOM 452 CE LYS A 32 0.840 -17.223 6.292 1.00 0.00 C ATOM 453 NZ LYS A 32 1.918 -18.178 5.916 1.00 0.00 N ATOM 0 H LYS A 32 -2.011 -13.042 6.222 1.00 0.00 H new ATOM 0 HA LYS A 32 0.119 -12.336 8.138 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.578 -13.805 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.696 -14.563 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.988 -15.402 6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.503 -14.341 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.485 -16.320 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.814 -15.606 5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.990 -16.893 7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.124 -17.731 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.906 -18.989 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.762 -18.513 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.840 -17.701 5.974 1.00 0.00 H new ATOM 467 N GLY A 33 1.385 -11.051 6.307 1.00 0.00 N ATOM 468 CA GLY A 33 1.855 -10.048 5.369 1.00 0.00 C ATOM 469 C GLY A 33 1.144 -8.720 5.536 1.00 0.00 C ATOM 470 O GLY A 33 -0.022 -8.676 5.928 1.00 0.00 O ATOM 0 H GLY A 33 2.003 -11.218 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.927 -9.902 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.708 -10.410 4.351 1.00 0.00 H new ATOM 474 N VAL A 34 1.849 -7.632 5.239 1.00 0.00 N ATOM 475 CA VAL A 34 1.278 -6.296 5.359 1.00 0.00 C ATOM 476 C VAL A 34 0.656 -5.844 4.043 1.00 0.00 C ATOM 477 O VAL A 34 0.987 -6.363 2.977 1.00 0.00 O ATOM 478 CB VAL A 34 2.342 -5.268 5.791 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.594 -5.358 7.289 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.631 -5.477 5.012 1.00 0.00 C ATOM 0 H VAL A 34 2.816 -7.650 4.914 1.00 0.00 H new ATOM 0 HA VAL A 34 0.503 -6.350 6.124 1.00 0.00 H new ATOM 0 HB VAL A 34 1.968 -4.268 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.348 -4.625 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.668 -5.155 7.827 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.947 -6.358 7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.371 -4.743 5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.012 -6.481 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.436 -5.358 3.946 1.00 0.00 H new ATOM 490 N TYR A 35 -0.247 -4.873 4.125 1.00 0.00 N ATOM 491 CA TYR A 35 -0.918 -4.351 2.940 1.00 0.00 C ATOM 492 C TYR A 35 -1.405 -2.924 3.174 1.00 0.00 C ATOM 493 O TYR A 35 -1.287 -2.389 4.275 1.00 0.00 O ATOM 494 CB TYR A 35 -2.097 -5.248 2.560 1.00 0.00 C ATOM 495 CG TYR A 35 -3.097 -5.441 3.678 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.809 -4.366 4.193 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.329 -6.700 4.219 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.722 -4.537 5.215 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.241 -6.881 5.240 1.00 0.00 C ATOM 500 CZ TYR A 35 -4.935 -5.797 5.735 1.00 0.00 C ATOM 501 OH TYR A 35 -5.845 -5.973 6.753 1.00 0.00 O ATOM 0 H TYR A 35 -0.531 -4.431 4.999 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.199 -4.340 2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.607 -4.818 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.717 -6.222 2.252 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.646 -3.379 3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.787 -7.551 3.834 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.266 -3.689 5.605 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.410 -7.866 5.649 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.454 -6.706 6.524 1.00 0.00 H new ATOM 511 N MET A 36 -1.952 -2.314 2.127 1.00 0.00 N ATOM 512 CA MET A 36 -2.458 -0.950 2.218 1.00 0.00 C ATOM 513 C MET A 36 -3.825 -0.921 2.896 1.00 0.00 C ATOM 514 O MET A 36 -4.693 -1.742 2.601 1.00 0.00 O ATOM 515 CB MET A 36 -2.554 -0.325 0.824 1.00 0.00 C ATOM 516 CG MET A 36 -1.232 -0.307 0.074 1.00 0.00 C ATOM 517 SD MET A 36 0.043 0.630 0.937 1.00 0.00 S ATOM 518 CE MET A 36 1.494 0.181 -0.012 1.00 0.00 C ATOM 0 H MET A 36 -2.056 -2.743 1.207 1.00 0.00 H new ATOM 0 HA MET A 36 -1.760 -0.370 2.822 1.00 0.00 H new ATOM 0 HB2 MET A 36 -3.288 -0.877 0.237 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.923 0.696 0.917 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.888 -1.331 -0.073 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.386 0.123 -0.916 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.369 0.683 0.401 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.640 -0.898 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.358 0.484 -1.050 1.00 0.00 H new ATOM 528 N THR A 37 -4.009 0.030 3.806 1.00 0.00 N ATOM 529 CA THR A 37 -5.268 0.165 4.527 1.00 0.00 C ATOM 530 C THR A 37 -5.856 1.560 4.350 1.00 0.00 C ATOM 531 O THR A 37 -7.041 1.712 4.052 1.00 0.00 O ATOM 532 CB THR A 37 -5.088 -0.117 6.030 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.342 0.022 6.708 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.067 0.831 6.640 1.00 0.00 C ATOM 0 H THR A 37 -3.301 0.719 4.061 1.00 0.00 H new ATOM 0 HA THR A 37 -5.953 -0.571 4.107 1.00 0.00 H new ATOM 0 HB THR A 37 -4.725 -1.138 6.145 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.185 0.315 7.630 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.957 0.613 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.106 0.701 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.405 1.860 6.514 1.00 0.00 H new ATOM 542 N ASP A 38 -5.021 2.577 4.534 1.00 0.00 N ATOM 543 CA ASP A 38 -5.458 3.961 4.393 1.00 0.00 C ATOM 544 C ASP A 38 -4.716 4.652 3.253 1.00 0.00 C ATOM 545 O ASP A 38 -3.548 5.015 3.391 1.00 0.00 O ATOM 546 CB ASP A 38 -5.236 4.724 5.700 1.00 0.00 C ATOM 547 CG ASP A 38 -5.886 6.093 5.688 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.094 6.174 5.380 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.188 7.085 5.987 1.00 0.00 O ATOM 0 H ASP A 38 -4.037 2.469 4.781 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.523 3.958 4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.637 4.142 6.530 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.166 4.834 5.876 1.00 0.00 H new ATOM 554 N ILE A 39 -5.402 4.829 2.129 1.00 0.00 N ATOM 555 CA ILE A 39 -4.808 5.476 0.966 1.00 0.00 C ATOM 556 C ILE A 39 -5.109 6.970 0.955 1.00 0.00 C ATOM 557 O ILE A 39 -6.239 7.386 0.693 1.00 0.00 O ATOM 558 CB ILE A 39 -5.316 4.851 -0.347 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.929 3.372 -0.416 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.758 5.606 -1.544 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.435 3.136 -0.397 1.00 0.00 C ATOM 0 H ILE A 39 -6.370 4.533 1.999 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.731 5.326 1.037 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.403 4.925 -0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.382 2.847 0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.346 2.938 -1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.126 5.152 -2.464 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.078 6.647 -1.499 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.669 5.561 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.235 2.066 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.977 3.632 -1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.015 3.540 0.524 1.00 0.00 H new ATOM 573 N THR A 40 -4.091 7.776 1.239 1.00 0.00 N ATOM 574 CA THR A 40 -4.246 9.225 1.261 1.00 0.00 C ATOM 575 C THR A 40 -4.693 9.751 -0.099 1.00 0.00 C ATOM 576 O THR A 40 -4.106 9.439 -1.135 1.00 0.00 O ATOM 577 CB THR A 40 -2.934 9.925 1.663 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.606 9.609 3.021 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.053 11.432 1.502 1.00 0.00 C ATOM 0 H THR A 40 -3.150 7.449 1.457 1.00 0.00 H new ATOM 0 HA THR A 40 -5.011 9.449 2.004 1.00 0.00 H new ATOM 0 HB THR A 40 -2.141 9.567 1.006 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.770 10.056 3.268 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.114 11.904 1.792 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.273 11.671 0.461 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.857 11.803 2.137 1.00 0.00 H new ATOM 587 N PRO A 41 -5.756 10.568 -0.097 1.00 0.00 N ATOM 588 CA PRO A 41 -6.304 11.156 -1.323 1.00 0.00 C ATOM 589 C PRO A 41 -5.377 12.203 -1.929 1.00 0.00 C ATOM 590 O PRO A 41 -4.492 12.727 -1.253 1.00 0.00 O ATOM 591 CB PRO A 41 -7.609 11.804 -0.853 1.00 0.00 C ATOM 592 CG PRO A 41 -7.392 12.085 0.594 1.00 0.00 C ATOM 593 CD PRO A 41 -6.505 10.982 1.101 1.00 0.00 C ATOM 0 HA PRO A 41 -6.440 10.411 -2.107 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.819 12.719 -1.407 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.459 11.138 -1.004 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.924 13.059 0.737 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.339 12.104 1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.839 11.332 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.086 10.158 1.516 1.00 0.00 H new ATOM 601 N GLN A 42 -5.586 12.504 -3.207 1.00 0.00 N ATOM 602 CA GLN A 42 -4.768 13.490 -3.903 1.00 0.00 C ATOM 603 C GLN A 42 -3.329 13.458 -3.397 1.00 0.00 C ATOM 604 O GLN A 42 -2.736 14.498 -3.115 1.00 0.00 O ATOM 605 CB GLN A 42 -5.353 14.891 -3.720 1.00 0.00 C ATOM 606 CG GLN A 42 -5.391 15.351 -2.272 1.00 0.00 C ATOM 607 CD GLN A 42 -6.161 16.644 -2.089 1.00 0.00 C ATOM 608 OE1 GLN A 42 -6.320 17.423 -3.030 1.00 0.00 O ATOM 609 NE2 GLN A 42 -6.645 16.879 -0.875 1.00 0.00 N ATOM 0 H GLN A 42 -6.314 12.079 -3.781 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.768 13.240 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.765 15.600 -4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.365 14.909 -4.125 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.846 14.572 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.371 15.486 -1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.489 16.206 -0.125 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.173 17.733 -0.693 1.00 0.00 H new ATOM 618 N GLY A 43 -2.773 12.255 -3.285 1.00 0.00 N ATOM 619 CA GLY A 43 -1.409 12.109 -2.813 1.00 0.00 C ATOM 620 C GLY A 43 -0.537 11.343 -3.787 1.00 0.00 C ATOM 621 O GLY A 43 -0.888 11.189 -4.957 1.00 0.00 O ATOM 0 H GLY A 43 -3.243 11.379 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.979 13.096 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.414 11.594 -1.852 1.00 0.00 H new ATOM 625 N VAL A 44 0.605 10.863 -3.306 1.00 0.00 N ATOM 626 CA VAL A 44 1.531 10.109 -4.143 1.00 0.00 C ATOM 627 C VAL A 44 0.957 8.744 -4.506 1.00 0.00 C ATOM 628 O VAL A 44 0.991 8.333 -5.665 1.00 0.00 O ATOM 629 CB VAL A 44 2.889 9.913 -3.442 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.779 8.984 -4.253 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.570 11.254 -3.216 1.00 0.00 C ATOM 0 H VAL A 44 0.911 10.983 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 44 1.681 10.690 -5.053 1.00 0.00 H new ATOM 0 HB VAL A 44 2.713 9.452 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.734 8.857 -3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.292 8.014 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.950 9.414 -5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.528 11.097 -2.720 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.734 11.745 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.936 11.883 -2.591 1.00 0.00 H new ATOM 641 N ALA A 45 0.429 8.045 -3.506 1.00 0.00 N ATOM 642 CA ALA A 45 -0.155 6.727 -3.720 1.00 0.00 C ATOM 643 C ALA A 45 -1.360 6.806 -4.651 1.00 0.00 C ATOM 644 O ALA A 45 -1.343 6.254 -5.751 1.00 0.00 O ATOM 645 CB ALA A 45 -0.553 6.104 -2.390 1.00 0.00 C ATOM 0 H ALA A 45 0.394 8.370 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 45 0.597 6.096 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.988 5.120 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.329 6.004 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.285 6.741 -1.894 1.00 0.00 H new ATOM 651 N MET A 46 -2.405 7.493 -4.203 1.00 0.00 N ATOM 652 CA MET A 46 -3.618 7.643 -4.997 1.00 0.00 C ATOM 653 C MET A 46 -3.282 7.995 -6.443 1.00 0.00 C ATOM 654 O MET A 46 -3.998 7.611 -7.368 1.00 0.00 O ATOM 655 CB MET A 46 -4.518 8.724 -4.394 1.00 0.00 C ATOM 656 CG MET A 46 -5.945 8.687 -4.916 1.00 0.00 C ATOM 657 SD MET A 46 -6.779 7.130 -4.550 1.00 0.00 S ATOM 658 CE MET A 46 -7.832 7.622 -3.188 1.00 0.00 C ATOM 0 H MET A 46 -2.436 7.955 -3.294 1.00 0.00 H new ATOM 0 HA MET A 46 -4.148 6.691 -4.987 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.533 8.610 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.088 9.703 -4.605 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.510 9.509 -4.477 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.937 8.846 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.413 6.764 -2.849 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.217 7.990 -2.367 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.508 8.411 -3.517 1.00 0.00 H new ATOM 668 N ARG A 47 -2.188 8.726 -6.630 1.00 0.00 N ATOM 669 CA ARG A 47 -1.758 9.129 -7.964 1.00 0.00 C ATOM 670 C ARG A 47 -1.043 7.984 -8.675 1.00 0.00 C ATOM 671 O ARG A 47 -1.180 7.810 -9.885 1.00 0.00 O ATOM 672 CB ARG A 47 -0.834 10.346 -7.878 1.00 0.00 C ATOM 673 CG ARG A 47 -1.554 11.633 -7.509 1.00 0.00 C ATOM 674 CD ARG A 47 -2.236 12.256 -8.717 1.00 0.00 C ATOM 675 NE ARG A 47 -3.485 11.577 -9.052 1.00 0.00 N ATOM 676 CZ ARG A 47 -4.642 11.830 -8.452 1.00 0.00 C ATOM 677 NH1 ARG A 47 -4.709 12.742 -7.492 1.00 0.00 N ATOM 678 NH2 ARG A 47 -5.736 11.171 -8.811 1.00 0.00 N ATOM 0 H ARG A 47 -1.584 9.051 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.645 9.393 -8.540 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.057 10.150 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.335 10.481 -8.838 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.295 11.428 -6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.842 12.341 -7.086 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.438 13.308 -8.516 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.562 12.218 -9.573 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.467 10.870 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.870 13.251 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.599 12.934 -7.033 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.689 10.469 -9.549 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.624 11.367 -8.349 1.00 0.00 H new ATOM 692 N ALA A 48 -0.281 7.205 -7.913 1.00 0.00 N ATOM 693 CA ALA A 48 0.453 6.076 -8.470 1.00 0.00 C ATOM 694 C ALA A 48 -0.499 4.998 -8.976 1.00 0.00 C ATOM 695 O ALA A 48 -0.108 4.124 -9.749 1.00 0.00 O ATOM 696 CB ALA A 48 1.402 5.499 -7.429 1.00 0.00 C ATOM 0 H ALA A 48 -0.156 7.336 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 48 1.036 6.436 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.944 4.656 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.111 6.266 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.831 5.161 -6.564 1.00 0.00 H new ATOM 702 N GLY A 49 -1.751 5.065 -8.534 1.00 0.00 N ATOM 703 CA GLY A 49 -2.739 4.088 -8.952 1.00 0.00 C ATOM 704 C GLY A 49 -2.826 2.909 -8.003 1.00 0.00 C ATOM 705 O GLY A 49 -3.150 1.795 -8.414 1.00 0.00 O ATOM 0 H GLY A 49 -2.099 5.779 -7.894 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.715 4.569 -9.020 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.491 3.729 -9.951 1.00 0.00 H new ATOM 709 N VAL A 50 -2.535 3.154 -6.729 1.00 0.00 N ATOM 710 CA VAL A 50 -2.582 2.104 -5.719 1.00 0.00 C ATOM 711 C VAL A 50 -3.798 2.266 -4.814 1.00 0.00 C ATOM 712 O VAL A 50 -4.045 3.345 -4.273 1.00 0.00 O ATOM 713 CB VAL A 50 -1.309 2.101 -4.853 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.020 3.498 -4.323 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.444 1.106 -3.710 1.00 0.00 C ATOM 0 H VAL A 50 -2.264 4.070 -6.372 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.653 1.156 -6.252 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.469 1.793 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.117 3.476 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.877 4.182 -5.159 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.859 3.838 -3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.535 1.117 -3.108 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.295 1.381 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.599 0.106 -4.115 1.00 0.00 H new ATOM 725 N LEU A 51 -4.557 1.187 -4.653 1.00 0.00 N ATOM 726 CA LEU A 51 -5.749 1.208 -3.812 1.00 0.00 C ATOM 727 C LEU A 51 -5.507 0.458 -2.506 1.00 0.00 C ATOM 728 O LEU A 51 -4.496 -0.226 -2.349 1.00 0.00 O ATOM 729 CB LEU A 51 -6.933 0.589 -4.557 1.00 0.00 C ATOM 730 CG LEU A 51 -6.728 -0.833 -5.080 1.00 0.00 C ATOM 731 CD1 LEU A 51 -7.145 -1.853 -4.031 1.00 0.00 C ATOM 732 CD2 LEU A 51 -7.506 -1.044 -6.371 1.00 0.00 C ATOM 0 H LEU A 51 -4.368 0.287 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.979 2.247 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.796 0.589 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.182 1.233 -5.401 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.668 -0.973 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.992 -2.859 -4.421 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.544 -1.717 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.198 -1.715 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.348 -2.061 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.568 -0.885 -6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.159 -0.337 -7.124 1.00 0.00 H new ATOM 744 N ALA A 52 -6.443 0.590 -1.572 1.00 0.00 N ATOM 745 CA ALA A 52 -6.334 -0.078 -0.281 1.00 0.00 C ATOM 746 C ALA A 52 -6.744 -1.543 -0.385 1.00 0.00 C ATOM 747 O ALA A 52 -7.266 -1.980 -1.411 1.00 0.00 O ATOM 748 CB ALA A 52 -7.185 0.639 0.757 1.00 0.00 C ATOM 0 H ALA A 52 -7.286 1.154 -1.685 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.291 -0.042 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.094 0.130 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.843 1.669 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.228 0.633 0.440 1.00 0.00 H new ATOM 754 N ASP A 53 -6.505 -2.296 0.683 1.00 0.00 N ATOM 755 CA ASP A 53 -6.851 -3.712 0.712 1.00 0.00 C ATOM 756 C ASP A 53 -6.093 -4.479 -0.368 1.00 0.00 C ATOM 757 O ASP A 53 -6.639 -5.385 -0.998 1.00 0.00 O ATOM 758 CB ASP A 53 -8.357 -3.896 0.524 1.00 0.00 C ATOM 759 CG ASP A 53 -9.162 -3.271 1.647 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.966 -2.068 1.917 1.00 0.00 O ATOM 761 OD2 ASP A 53 -9.986 -3.985 2.255 1.00 0.00 O ATOM 0 H ASP A 53 -6.073 -1.950 1.540 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.564 -4.110 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.658 -3.453 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.586 -4.960 0.466 1.00 0.00 H new ATOM 766 N ASP A 54 -4.835 -4.108 -0.577 1.00 0.00 N ATOM 767 CA ASP A 54 -4.002 -4.760 -1.581 1.00 0.00 C ATOM 768 C ASP A 54 -2.818 -5.467 -0.929 1.00 0.00 C ATOM 769 O ASP A 54 -1.929 -4.824 -0.370 1.00 0.00 O ATOM 770 CB ASP A 54 -3.502 -3.737 -2.602 1.00 0.00 C ATOM 771 CG ASP A 54 -4.470 -3.548 -3.753 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.482 -4.279 -3.805 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.217 -2.669 -4.602 1.00 0.00 O ATOM 0 H ASP A 54 -4.369 -3.359 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.610 -5.506 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.342 -2.780 -2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.537 -4.059 -2.992 1.00 0.00 H new ATOM 778 N HIS A 55 -2.813 -6.794 -1.003 1.00 0.00 N ATOM 779 CA HIS A 55 -1.739 -7.589 -0.419 1.00 0.00 C ATOM 780 C HIS A 55 -0.395 -7.231 -1.048 1.00 0.00 C ATOM 781 O HIS A 55 -0.277 -7.134 -2.271 1.00 0.00 O ATOM 782 CB HIS A 55 -2.020 -9.080 -0.604 1.00 0.00 C ATOM 783 CG HIS A 55 -0.954 -9.966 -0.037 1.00 0.00 C ATOM 784 ND1 HIS A 55 -0.712 -11.243 -0.499 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.061 -9.752 0.958 1.00 0.00 C ATOM 786 CE1 HIS A 55 0.282 -11.776 0.189 1.00 0.00 C ATOM 787 NE2 HIS A 55 0.695 -10.892 1.079 1.00 0.00 N ATOM 0 H HIS A 55 -3.541 -7.342 -1.462 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.693 -7.365 0.647 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.972 -9.323 -0.132 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.129 -9.291 -1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.038 -8.852 1.547 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.688 -12.767 0.048 1.00 0.00 H new ATOM 0 HE2 HIS A 55 1.452 -11.033 1.748 1.00 0.00 H new ATOM 796 N LEU A 56 0.613 -7.036 -0.206 1.00 0.00 N ATOM 797 CA LEU A 56 1.949 -6.688 -0.680 1.00 0.00 C ATOM 798 C LEU A 56 2.655 -7.908 -1.263 1.00 0.00 C ATOM 799 O LEU A 56 2.671 -8.978 -0.654 1.00 0.00 O ATOM 800 CB LEU A 56 2.780 -6.102 0.463 1.00 0.00 C ATOM 801 CG LEU A 56 2.658 -4.593 0.676 1.00 0.00 C ATOM 802 CD1 LEU A 56 3.484 -4.154 1.875 1.00 0.00 C ATOM 803 CD2 LEU A 56 3.089 -3.841 -0.575 1.00 0.00 C ATOM 0 H LEU A 56 0.532 -7.113 0.808 1.00 0.00 H new ATOM 0 HA LEU A 56 1.845 -5.941 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.494 -6.604 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.828 -6.340 0.282 1.00 0.00 H new ATOM 0 HG LEU A 56 1.613 -4.357 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.385 -3.077 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.129 -4.667 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.532 -4.403 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.996 -2.768 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.127 -4.083 -0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.454 -4.132 -1.412 1.00 0.00 H new ATOM 815 N ILE A 57 3.238 -7.738 -2.445 1.00 0.00 N ATOM 816 CA ILE A 57 3.948 -8.825 -3.109 1.00 0.00 C ATOM 817 C ILE A 57 5.458 -8.630 -3.019 1.00 0.00 C ATOM 818 O ILE A 57 6.202 -9.580 -2.781 1.00 0.00 O ATOM 819 CB ILE A 57 3.544 -8.939 -4.590 1.00 0.00 C ATOM 820 CG1 ILE A 57 2.026 -9.083 -4.718 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.250 -10.119 -5.242 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.504 -10.423 -4.247 1.00 0.00 C ATOM 0 H ILE A 57 3.233 -6.859 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 57 3.671 -9.745 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 57 3.848 -8.028 -5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.544 -8.292 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.742 -8.938 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.954 -10.187 -6.289 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.329 -9.978 -5.178 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.973 -11.039 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.421 -10.454 -4.367 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.958 -11.218 -4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.757 -10.563 -3.196 1.00 0.00 H new ATOM 834 N GLU A 58 5.902 -7.391 -3.209 1.00 0.00 N ATOM 835 CA GLU A 58 7.323 -7.072 -3.148 1.00 0.00 C ATOM 836 C GLU A 58 7.547 -5.566 -3.236 1.00 0.00 C ATOM 837 O GLU A 58 6.825 -4.859 -3.939 1.00 0.00 O ATOM 838 CB GLU A 58 8.076 -7.777 -4.279 1.00 0.00 C ATOM 839 CG GLU A 58 7.531 -7.461 -5.662 1.00 0.00 C ATOM 840 CD GLU A 58 7.932 -8.494 -6.697 1.00 0.00 C ATOM 841 OE1 GLU A 58 7.389 -9.618 -6.656 1.00 0.00 O ATOM 842 OE2 GLU A 58 8.789 -8.178 -7.549 1.00 0.00 O ATOM 0 H GLU A 58 5.298 -6.593 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 58 7.707 -7.424 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.127 -7.491 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.032 -8.854 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.444 -7.402 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.890 -6.480 -5.975 1.00 0.00 H new ATOM 849 N VAL A 59 8.553 -5.080 -2.515 1.00 0.00 N ATOM 850 CA VAL A 59 8.873 -3.657 -2.511 1.00 0.00 C ATOM 851 C VAL A 59 10.260 -3.404 -3.093 1.00 0.00 C ATOM 852 O VAL A 59 11.227 -4.073 -2.731 1.00 0.00 O ATOM 853 CB VAL A 59 8.811 -3.072 -1.088 1.00 0.00 C ATOM 854 CG1 VAL A 59 9.202 -1.602 -1.097 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.423 -3.260 -0.495 1.00 0.00 C ATOM 0 H VAL A 59 9.160 -5.651 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 59 8.126 -3.163 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 59 9.524 -3.608 -0.462 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.152 -1.206 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.218 -1.498 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.516 -1.047 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.397 -2.841 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.689 -2.751 -1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.187 -4.323 -0.451 1.00 0.00 H new ATOM 865 N ASN A 60 10.348 -2.433 -3.996 1.00 0.00 N ATOM 866 CA ASN A 60 11.617 -2.092 -4.629 1.00 0.00 C ATOM 867 C ASN A 60 12.440 -3.345 -4.909 1.00 0.00 C ATOM 868 O ASN A 60 13.667 -3.326 -4.827 1.00 0.00 O ATOM 869 CB ASN A 60 12.413 -1.134 -3.739 1.00 0.00 C ATOM 870 CG ASN A 60 12.854 -1.783 -2.441 1.00 0.00 C ATOM 871 OD1 ASN A 60 13.594 -2.767 -2.447 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.401 -1.233 -1.321 1.00 0.00 N ATOM 0 H ASN A 60 9.557 -1.869 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 60 11.401 -1.602 -5.578 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.290 -0.782 -4.282 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.803 -0.259 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.664 -1.626 -0.417 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.790 -0.418 -1.364 1.00 0.00 H new ATOM 879 N GLY A 61 11.755 -4.435 -5.243 1.00 0.00 N ATOM 880 CA GLY A 61 12.438 -5.682 -5.531 1.00 0.00 C ATOM 881 C GLY A 61 12.708 -6.497 -4.282 1.00 0.00 C ATOM 882 O GLY A 61 13.724 -7.185 -4.191 1.00 0.00 O ATOM 0 H GLY A 61 10.739 -4.476 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.836 -6.271 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.382 -5.468 -6.033 1.00 0.00 H new ATOM 886 N GLU A 62 11.796 -6.420 -3.318 1.00 0.00 N ATOM 887 CA GLU A 62 11.943 -7.155 -2.068 1.00 0.00 C ATOM 888 C GLU A 62 10.649 -7.879 -1.707 1.00 0.00 C ATOM 889 O GLU A 62 9.716 -7.277 -1.176 1.00 0.00 O ATOM 890 CB GLU A 62 12.342 -6.206 -0.936 1.00 0.00 C ATOM 891 CG GLU A 62 13.723 -5.596 -1.111 1.00 0.00 C ATOM 892 CD GLU A 62 14.815 -6.431 -0.471 1.00 0.00 C ATOM 893 OE1 GLU A 62 15.010 -7.586 -0.906 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.475 -5.930 0.463 1.00 0.00 O ATOM 0 H GLU A 62 10.948 -5.856 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 62 12.729 -7.898 -2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.606 -5.405 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.311 -6.748 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.934 -5.482 -2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.733 -4.597 -0.676 1.00 0.00 H new ATOM 901 N ASN A 63 10.601 -9.174 -1.999 1.00 0.00 N ATOM 902 CA ASN A 63 9.421 -9.981 -1.707 1.00 0.00 C ATOM 903 C ASN A 63 8.999 -9.818 -0.250 1.00 0.00 C ATOM 904 O ASN A 63 9.712 -10.232 0.665 1.00 0.00 O ATOM 905 CB ASN A 63 9.698 -11.455 -2.008 1.00 0.00 C ATOM 906 CG ASN A 63 8.537 -12.352 -1.624 1.00 0.00 C ATOM 907 OD1 ASN A 63 8.661 -13.203 -0.744 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.401 -12.164 -2.285 1.00 0.00 N ATOM 0 H ASN A 63 11.365 -9.688 -2.438 1.00 0.00 H new ATOM 0 HA ASN A 63 8.607 -9.634 -2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.908 -11.573 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 63 10.591 -11.771 -1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 63 6.585 -12.737 -2.070 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.344 -11.446 -3.007 1.00 0.00 H new ATOM 915 N VAL A 64 7.834 -9.214 -0.041 1.00 0.00 N ATOM 916 CA VAL A 64 7.314 -8.998 1.304 1.00 0.00 C ATOM 917 C VAL A 64 5.932 -9.620 1.466 1.00 0.00 C ATOM 918 O VAL A 64 5.106 -9.129 2.235 1.00 0.00 O ATOM 919 CB VAL A 64 7.233 -7.498 1.641 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.585 -6.830 1.436 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.162 -6.820 0.799 1.00 0.00 C ATOM 0 H VAL A 64 7.232 -8.865 -0.787 1.00 0.00 H new ATOM 0 HA VAL A 64 8.009 -9.480 1.992 1.00 0.00 H new ATOM 0 HB VAL A 64 6.958 -7.394 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.508 -5.770 1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.324 -7.298 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.892 -6.942 0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.118 -5.760 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.404 -6.933 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.195 -7.281 1.001 1.00 0.00 H new ATOM 931 N GLU A 65 5.687 -10.703 0.735 1.00 0.00 N ATOM 932 CA GLU A 65 4.403 -11.392 0.798 1.00 0.00 C ATOM 933 C GLU A 65 4.101 -11.851 2.222 1.00 0.00 C ATOM 934 O GLU A 65 2.996 -11.654 2.728 1.00 0.00 O ATOM 935 CB GLU A 65 4.396 -12.593 -0.149 1.00 0.00 C ATOM 936 CG GLU A 65 3.970 -12.248 -1.566 1.00 0.00 C ATOM 937 CD GLU A 65 3.410 -13.443 -2.314 1.00 0.00 C ATOM 938 OE1 GLU A 65 2.800 -14.317 -1.662 1.00 0.00 O ATOM 939 OE2 GLU A 65 3.580 -13.504 -3.549 1.00 0.00 O ATOM 0 H GLU A 65 6.360 -11.122 0.093 1.00 0.00 H new ATOM 0 HA GLU A 65 3.628 -10.691 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.394 -13.030 -0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.725 -13.354 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.218 -11.459 -1.534 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.826 -11.851 -2.112 1.00 0.00 H new ATOM 946 N ASP A 66 5.090 -12.464 2.861 1.00 0.00 N ATOM 947 CA ASP A 66 4.932 -12.952 4.227 1.00 0.00 C ATOM 948 C ASP A 66 5.944 -12.294 5.160 1.00 0.00 C ATOM 949 O ASP A 66 6.389 -12.898 6.135 1.00 0.00 O ATOM 950 CB ASP A 66 5.093 -14.472 4.270 1.00 0.00 C ATOM 951 CG ASP A 66 4.233 -15.175 3.239 1.00 0.00 C ATOM 952 OD1 ASP A 66 4.386 -14.879 2.036 1.00 0.00 O ATOM 953 OD2 ASP A 66 3.406 -16.023 3.636 1.00 0.00 O ATOM 0 H ASP A 66 6.010 -12.635 2.456 1.00 0.00 H new ATOM 0 HA ASP A 66 3.929 -12.691 4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.139 -14.728 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.832 -14.834 5.264 1.00 0.00 H new ATOM 958 N ALA A 67 6.303 -11.051 4.853 1.00 0.00 N ATOM 959 CA ALA A 67 7.261 -10.311 5.664 1.00 0.00 C ATOM 960 C ALA A 67 6.565 -9.585 6.810 1.00 0.00 C ATOM 961 O ALA A 67 5.342 -9.442 6.816 1.00 0.00 O ATOM 962 CB ALA A 67 8.031 -9.322 4.801 1.00 0.00 C ATOM 0 H ALA A 67 5.944 -10.536 4.049 1.00 0.00 H new ATOM 0 HA ALA A 67 7.963 -11.025 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 67 8.743 -8.776 5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.568 -9.861 4.020 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.335 -8.619 4.344 1.00 0.00 H new ATOM 968 N SER A 68 7.351 -9.129 7.780 1.00 0.00 N ATOM 969 CA SER A 68 6.809 -8.422 8.934 1.00 0.00 C ATOM 970 C SER A 68 6.890 -6.911 8.733 1.00 0.00 C ATOM 971 O SER A 68 7.839 -6.403 8.136 1.00 0.00 O ATOM 972 CB SER A 68 7.565 -8.819 10.204 1.00 0.00 C ATOM 973 OG SER A 68 7.124 -10.076 10.687 1.00 0.00 O ATOM 0 H SER A 68 8.365 -9.237 7.790 1.00 0.00 H new ATOM 0 HA SER A 68 5.761 -8.702 9.041 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.634 -8.860 9.997 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.418 -8.059 10.971 1.00 0.00 H new ATOM 0 HG SER A 68 7.623 -10.308 11.498 1.00 0.00 H new ATOM 979 N HIS A 69 5.886 -6.199 9.236 1.00 0.00 N ATOM 980 CA HIS A 69 5.843 -4.747 9.113 1.00 0.00 C ATOM 981 C HIS A 69 7.236 -4.146 9.273 1.00 0.00 C ATOM 982 O HIS A 69 7.624 -3.250 8.524 1.00 0.00 O ATOM 983 CB HIS A 69 4.896 -4.153 10.156 1.00 0.00 C ATOM 984 CG HIS A 69 4.394 -2.788 9.802 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.328 -2.188 10.440 1.00 0.00 N ATOM 986 CD2 HIS A 69 4.819 -1.902 8.870 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.119 -0.994 9.915 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.010 -0.796 8.961 1.00 0.00 N ATOM 0 H HIS A 69 5.092 -6.604 9.732 1.00 0.00 H new ATOM 0 HA HIS A 69 5.474 -4.503 8.117 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.045 -4.822 10.284 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.411 -4.104 11.116 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.786 -2.602 11.199 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.641 -2.040 8.183 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.350 -0.298 10.215 1.00 0.00 H new ATOM 997 N GLU A 70 7.981 -4.645 10.254 1.00 0.00 N ATOM 998 CA GLU A 70 9.330 -4.155 10.512 1.00 0.00 C ATOM 999 C GLU A 70 10.229 -4.371 9.298 1.00 0.00 C ATOM 1000 O GLU A 70 11.011 -3.496 8.929 1.00 0.00 O ATOM 1001 CB GLU A 70 9.927 -4.857 11.733 1.00 0.00 C ATOM 1002 CG GLU A 70 9.882 -6.374 11.646 1.00 0.00 C ATOM 1003 CD GLU A 70 10.706 -7.045 12.727 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.950 -7.042 12.614 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.107 -7.574 13.687 1.00 0.00 O ATOM 0 H GLU A 70 7.674 -5.387 10.882 1.00 0.00 H new ATOM 0 HA GLU A 70 9.268 -3.085 10.711 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.963 -4.539 11.854 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.389 -4.537 12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.847 -6.708 11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.247 -6.689 10.668 1.00 0.00 H new ATOM 1012 N GLU A 71 10.111 -5.544 8.683 1.00 0.00 N ATOM 1013 CA GLU A 71 10.914 -5.875 7.511 1.00 0.00 C ATOM 1014 C GLU A 71 10.625 -4.913 6.363 1.00 0.00 C ATOM 1015 O GLU A 71 11.535 -4.481 5.656 1.00 0.00 O ATOM 1016 CB GLU A 71 10.639 -7.313 7.067 1.00 0.00 C ATOM 1017 CG GLU A 71 11.353 -8.357 7.909 1.00 0.00 C ATOM 1018 CD GLU A 71 11.148 -9.767 7.388 1.00 0.00 C ATOM 1019 OE1 GLU A 71 10.011 -10.090 6.986 1.00 0.00 O ATOM 1020 OE2 GLU A 71 12.124 -10.545 7.383 1.00 0.00 O ATOM 0 H GLU A 71 9.468 -6.280 8.976 1.00 0.00 H new ATOM 0 HA GLU A 71 11.965 -5.781 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.566 -7.498 7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.943 -7.428 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.420 -8.133 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.994 -8.297 8.936 1.00 0.00 H new ATOM 1027 N VAL A 72 9.350 -4.581 6.183 1.00 0.00 N ATOM 1028 CA VAL A 72 8.939 -3.670 5.122 1.00 0.00 C ATOM 1029 C VAL A 72 9.380 -2.242 5.423 1.00 0.00 C ATOM 1030 O VAL A 72 10.196 -1.667 4.702 1.00 0.00 O ATOM 1031 CB VAL A 72 7.412 -3.693 4.922 1.00 0.00 C ATOM 1032 CG1 VAL A 72 6.991 -2.647 3.901 1.00 0.00 C ATOM 1033 CG2 VAL A 72 6.952 -5.079 4.499 1.00 0.00 C ATOM 0 H VAL A 72 8.584 -4.930 6.759 1.00 0.00 H new ATOM 0 HA VAL A 72 9.422 -4.011 4.207 1.00 0.00 H new ATOM 0 HB VAL A 72 6.935 -3.451 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.909 -2.678 3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.287 -1.658 4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.475 -2.854 2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.871 -5.077 4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.436 -5.353 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.219 -5.802 5.270 1.00 0.00 H new ATOM 1043 N VAL A 73 8.834 -1.673 6.494 1.00 0.00 N ATOM 1044 CA VAL A 73 9.172 -0.312 6.892 1.00 0.00 C ATOM 1045 C VAL A 73 10.654 -0.028 6.677 1.00 0.00 C ATOM 1046 O VAL A 73 11.038 1.087 6.326 1.00 0.00 O ATOM 1047 CB VAL A 73 8.820 -0.055 8.369 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.602 -0.995 9.275 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.087 1.397 8.736 1.00 0.00 C ATOM 0 H VAL A 73 8.156 -2.134 7.101 1.00 0.00 H new ATOM 0 HA VAL A 73 8.583 0.356 6.264 1.00 0.00 H new ATOM 0 HB VAL A 73 7.757 -0.252 8.511 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.341 -0.799 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.356 -2.028 9.027 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.670 -0.832 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.833 1.560 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.142 1.624 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.478 2.049 8.109 1.00 0.00 H new ATOM 1059 N GLU A 74 11.483 -1.045 6.891 1.00 0.00 N ATOM 1060 CA GLU A 74 12.924 -0.904 6.720 1.00 0.00 C ATOM 1061 C GLU A 74 13.302 -0.927 5.242 1.00 0.00 C ATOM 1062 O GLU A 74 14.069 -0.085 4.772 1.00 0.00 O ATOM 1063 CB GLU A 74 13.660 -2.022 7.463 1.00 0.00 C ATOM 1064 CG GLU A 74 13.984 -1.682 8.908 1.00 0.00 C ATOM 1065 CD GLU A 74 14.364 -2.902 9.724 1.00 0.00 C ATOM 1066 OE1 GLU A 74 13.463 -3.705 10.046 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.563 -3.054 10.039 1.00 0.00 O ATOM 0 H GLU A 74 11.182 -1.975 7.183 1.00 0.00 H new ATOM 0 HA GLU A 74 13.221 0.058 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.050 -2.925 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.586 -2.249 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.803 -0.963 8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.121 -1.198 9.366 1.00 0.00 H new ATOM 1074 N LYS A 75 12.760 -1.897 4.513 1.00 0.00 N ATOM 1075 CA LYS A 75 13.038 -2.031 3.088 1.00 0.00 C ATOM 1076 C LYS A 75 12.649 -0.762 2.336 1.00 0.00 C ATOM 1077 O LYS A 75 13.299 -0.381 1.363 1.00 0.00 O ATOM 1078 CB LYS A 75 12.284 -3.230 2.511 1.00 0.00 C ATOM 1079 CG LYS A 75 12.757 -4.566 3.057 1.00 0.00 C ATOM 1080 CD LYS A 75 11.649 -5.606 3.024 1.00 0.00 C ATOM 1081 CE LYS A 75 12.170 -6.987 3.395 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.067 -7.542 2.344 1.00 0.00 N ATOM 0 H LYS A 75 12.125 -2.603 4.886 1.00 0.00 H new ATOM 0 HA LYS A 75 14.109 -2.191 2.966 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.221 -3.116 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.395 -3.230 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.606 -4.919 2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.107 -4.438 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.857 -5.317 3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.208 -5.638 2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.710 -6.930 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.329 -7.663 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.850 -8.059 2.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.528 -8.191 1.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.450 -6.765 1.769 1.00 0.00 H new ATOM 1096 N VAL A 76 11.584 -0.111 2.794 1.00 0.00 N ATOM 1097 CA VAL A 76 11.110 1.116 2.166 1.00 0.00 C ATOM 1098 C VAL A 76 12.038 2.285 2.474 1.00 0.00 C ATOM 1099 O VAL A 76 12.483 2.994 1.571 1.00 0.00 O ATOM 1100 CB VAL A 76 9.685 1.470 2.632 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.279 2.842 2.115 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.696 0.407 2.177 1.00 0.00 C ATOM 0 H VAL A 76 11.033 -0.413 3.598 1.00 0.00 H new ATOM 0 HA VAL A 76 11.100 0.938 1.091 1.00 0.00 H new ATOM 0 HB VAL A 76 9.676 1.501 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.270 3.075 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.972 3.593 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.305 2.842 1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.695 0.673 2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.707 0.342 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.977 -0.557 2.601 1.00 0.00 H new ATOM 1112 N LYS A 77 12.328 2.482 3.756 1.00 0.00 N ATOM 1113 CA LYS A 77 13.206 3.564 4.185 1.00 0.00 C ATOM 1114 C LYS A 77 14.565 3.466 3.501 1.00 0.00 C ATOM 1115 O LYS A 77 15.112 4.467 3.036 1.00 0.00 O ATOM 1116 CB LYS A 77 13.385 3.531 5.705 1.00 0.00 C ATOM 1117 CG LYS A 77 12.093 3.744 6.474 1.00 0.00 C ATOM 1118 CD LYS A 77 12.179 3.171 7.879 1.00 0.00 C ATOM 1119 CE LYS A 77 12.816 4.158 8.845 1.00 0.00 C ATOM 1120 NZ LYS A 77 12.892 3.610 10.228 1.00 0.00 N ATOM 0 H LYS A 77 11.967 1.906 4.516 1.00 0.00 H new ATOM 0 HA LYS A 77 12.743 4.509 3.900 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.814 2.571 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.102 4.300 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.872 4.810 6.528 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.268 3.274 5.938 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.180 2.911 8.229 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.761 2.249 7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.818 4.410 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.239 5.083 8.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.332 4.312 10.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.934 3.393 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.464 2.741 10.226 1.00 0.00 H new ATOM 1134 N LYS A 78 15.106 2.254 3.440 1.00 0.00 N ATOM 1135 CA LYS A 78 16.401 2.024 2.810 1.00 0.00 C ATOM 1136 C LYS A 78 16.342 2.336 1.318 1.00 0.00 C ATOM 1137 O LYS A 78 17.277 2.907 0.756 1.00 0.00 O ATOM 1138 CB LYS A 78 16.844 0.575 3.022 1.00 0.00 C ATOM 1139 CG LYS A 78 17.185 0.248 4.465 1.00 0.00 C ATOM 1140 CD LYS A 78 17.936 -1.068 4.577 1.00 0.00 C ATOM 1141 CE LYS A 78 17.720 -1.720 5.934 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.510 -1.050 7.004 1.00 0.00 N ATOM 0 H LYS A 78 14.667 1.415 3.820 1.00 0.00 H new ATOM 0 HA LYS A 78 17.127 2.691 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.050 -0.092 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.715 0.375 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.790 1.050 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.269 0.196 5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.604 -1.745 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.001 -0.895 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.661 -1.685 6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.001 -2.772 5.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.335 -1.524 7.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.523 -1.105 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.225 -0.052 7.073 1.00 0.00 H new ATOM 1156 N SER A 79 15.238 1.958 0.682 1.00 0.00 N ATOM 1157 CA SER A 79 15.059 2.195 -0.746 1.00 0.00 C ATOM 1158 C SER A 79 15.714 3.508 -1.165 1.00 0.00 C ATOM 1159 O SER A 79 16.425 3.568 -2.167 1.00 0.00 O ATOM 1160 CB SER A 79 13.570 2.219 -1.098 1.00 0.00 C ATOM 1161 OG SER A 79 13.379 2.324 -2.498 1.00 0.00 O ATOM 0 H SER A 79 14.454 1.486 1.133 1.00 0.00 H new ATOM 0 HA SER A 79 15.540 1.380 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.091 1.312 -0.729 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.088 3.059 -0.598 1.00 0.00 H new ATOM 0 HG SER A 79 13.092 3.234 -2.722 1.00 0.00 H new ATOM 1167 N GLY A 80 15.467 4.559 -0.388 1.00 0.00 N ATOM 1168 CA GLY A 80 16.039 5.857 -0.694 1.00 0.00 C ATOM 1169 C GLY A 80 14.984 6.938 -0.829 1.00 0.00 C ATOM 1170 O GLY A 80 14.466 7.437 0.170 1.00 0.00 O ATOM 0 H GLY A 80 14.882 4.534 0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.742 6.135 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.608 5.791 -1.622 1.00 0.00 H new ATOM 1174 N SER A 81 14.667 7.302 -2.067 1.00 0.00 N ATOM 1175 CA SER A 81 13.671 8.335 -2.328 1.00 0.00 C ATOM 1176 C SER A 81 12.443 7.744 -3.014 1.00 0.00 C ATOM 1177 O SER A 81 11.308 8.039 -2.640 1.00 0.00 O ATOM 1178 CB SER A 81 14.271 9.443 -3.197 1.00 0.00 C ATOM 1179 OG SER A 81 15.344 10.087 -2.532 1.00 0.00 O ATOM 0 H SER A 81 15.085 6.897 -2.905 1.00 0.00 H new ATOM 0 HA SER A 81 13.363 8.759 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.623 9.021 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.501 10.174 -3.444 1.00 0.00 H new ATOM 0 HG SER A 81 15.712 10.789 -3.108 1.00 0.00 H new ATOM 1185 N ARG A 82 12.679 6.909 -4.021 1.00 0.00 N ATOM 1186 CA ARG A 82 11.594 6.278 -4.760 1.00 0.00 C ATOM 1187 C ARG A 82 11.521 4.785 -4.451 1.00 0.00 C ATOM 1188 O ARG A 82 12.534 4.152 -4.156 1.00 0.00 O ATOM 1189 CB ARG A 82 11.781 6.489 -6.264 1.00 0.00 C ATOM 1190 CG ARG A 82 11.999 7.942 -6.652 1.00 0.00 C ATOM 1191 CD ARG A 82 12.855 8.063 -7.903 1.00 0.00 C ATOM 1192 NE ARG A 82 14.281 8.102 -7.590 1.00 0.00 N ATOM 1193 CZ ARG A 82 15.212 8.495 -8.452 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.870 8.880 -9.673 1.00 0.00 N ATOM 1195 NH2 ARG A 82 16.489 8.502 -8.092 1.00 0.00 N ATOM 0 H ARG A 82 13.613 6.654 -4.343 1.00 0.00 H new ATOM 0 HA ARG A 82 10.659 6.743 -4.448 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.633 5.900 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.903 6.110 -6.788 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.036 8.423 -6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.479 8.471 -5.829 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.652 7.220 -8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.578 8.967 -8.445 1.00 0.00 H new ATOM 0 HE ARG A 82 14.578 7.812 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.889 8.875 -9.953 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.587 9.181 -10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.756 8.206 -7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.204 8.804 -8.754 1.00 0.00 H new ATOM 1209 N VAL A 83 10.315 4.230 -4.520 1.00 0.00 N ATOM 1210 CA VAL A 83 10.110 2.812 -4.248 1.00 0.00 C ATOM 1211 C VAL A 83 9.181 2.183 -5.281 1.00 0.00 C ATOM 1212 O VAL A 83 8.573 2.882 -6.090 1.00 0.00 O ATOM 1213 CB VAL A 83 9.522 2.590 -2.842 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.564 2.886 -1.774 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.282 3.448 -2.641 1.00 0.00 C ATOM 0 H VAL A 83 9.466 4.740 -4.762 1.00 0.00 H new ATOM 0 HA VAL A 83 11.088 2.334 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 83 9.230 1.544 -2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.130 2.724 -0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.420 2.224 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.890 3.923 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.880 3.278 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.545 4.500 -2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.531 3.182 -3.385 1.00 0.00 H new ATOM 1225 N MET A 84 9.077 0.859 -5.245 1.00 0.00 N ATOM 1226 CA MET A 84 8.220 0.135 -6.178 1.00 0.00 C ATOM 1227 C MET A 84 7.347 -0.876 -5.441 1.00 0.00 C ATOM 1228 O MET A 84 7.838 -1.891 -4.947 1.00 0.00 O ATOM 1229 CB MET A 84 9.067 -0.578 -7.234 1.00 0.00 C ATOM 1230 CG MET A 84 8.271 -1.537 -8.104 1.00 0.00 C ATOM 1231 SD MET A 84 9.303 -2.810 -8.857 1.00 0.00 S ATOM 1232 CE MET A 84 10.387 -1.809 -9.874 1.00 0.00 C ATOM 0 H MET A 84 9.574 0.266 -4.581 1.00 0.00 H new ATOM 0 HA MET A 84 7.570 0.858 -6.672 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.543 0.168 -7.871 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.865 -1.129 -6.737 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.497 -2.012 -7.501 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.764 -0.975 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.014 -2.458 -10.485 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.789 -1.168 -10.521 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.018 -1.192 -9.235 1.00 0.00 H new ATOM 1242 N PHE A 85 6.051 -0.592 -5.371 1.00 0.00 N ATOM 1243 CA PHE A 85 5.110 -1.477 -4.693 1.00 0.00 C ATOM 1244 C PHE A 85 4.301 -2.287 -5.703 1.00 0.00 C ATOM 1245 O PHE A 85 3.696 -1.730 -6.620 1.00 0.00 O ATOM 1246 CB PHE A 85 4.168 -0.667 -3.800 1.00 0.00 C ATOM 1247 CG PHE A 85 4.863 0.009 -2.653 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.296 -0.724 -1.560 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.083 1.377 -2.668 1.00 0.00 C ATOM 1250 CE1 PHE A 85 5.937 -0.105 -0.502 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.723 2.001 -1.614 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.149 1.259 -0.529 1.00 0.00 C ATOM 0 H PHE A 85 5.628 0.244 -5.775 1.00 0.00 H new ATOM 0 HA PHE A 85 5.681 -2.168 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.666 0.087 -4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.395 -1.328 -3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.131 -1.791 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.751 1.962 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.271 -0.688 0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.890 3.068 -1.638 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.647 1.745 0.297 1.00 0.00 H new ATOM 1262 N LEU A 86 4.296 -3.603 -5.527 1.00 0.00 N ATOM 1263 CA LEU A 86 3.562 -4.491 -6.422 1.00 0.00 C ATOM 1264 C LEU A 86 2.487 -5.262 -5.663 1.00 0.00 C ATOM 1265 O LEU A 86 2.791 -6.124 -4.837 1.00 0.00 O ATOM 1266 CB LEU A 86 4.522 -5.469 -7.102 1.00 0.00 C ATOM 1267 CG LEU A 86 3.883 -6.497 -8.037 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.510 -5.853 -9.363 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.823 -7.673 -8.259 1.00 0.00 C ATOM 0 H LEU A 86 4.792 -4.079 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 86 3.076 -3.879 -7.182 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.252 -4.894 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.072 -6.004 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 86 2.972 -6.869 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.057 -6.599 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.800 -5.045 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.406 -5.452 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.352 -8.394 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.751 -7.317 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.040 -8.151 -7.304 1.00 0.00 H new ATOM 1281 N LEU A 87 1.228 -4.949 -5.950 1.00 0.00 N ATOM 1282 CA LEU A 87 0.106 -5.614 -5.297 1.00 0.00 C ATOM 1283 C LEU A 87 -0.898 -6.124 -6.325 1.00 0.00 C ATOM 1284 O LEU A 87 -0.785 -5.835 -7.516 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.584 -4.655 -4.325 1.00 0.00 C ATOM 1286 CG LEU A 87 0.308 -3.590 -3.685 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.332 -2.332 -4.539 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.169 -3.272 -2.276 1.00 0.00 C ATOM 0 H LEU A 87 0.959 -4.239 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 87 0.494 -6.468 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.393 -4.152 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.042 -5.243 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 87 1.323 -3.982 -3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.971 -1.585 -4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.721 -2.571 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.679 -1.937 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.477 -2.512 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.193 -2.900 -2.314 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.134 -4.176 -1.667 1.00 0.00 H new ATOM 1300 N VAL A 88 -1.883 -6.884 -5.856 1.00 0.00 N ATOM 1301 CA VAL A 88 -2.910 -7.432 -6.734 1.00 0.00 C ATOM 1302 C VAL A 88 -4.248 -6.732 -6.519 1.00 0.00 C ATOM 1303 O VAL A 88 -4.584 -6.342 -5.401 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.093 -8.944 -6.508 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.140 -9.504 -7.459 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.767 -9.671 -6.674 1.00 0.00 C ATOM 0 H VAL A 88 -1.991 -7.134 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.575 -7.263 -7.757 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.443 -9.101 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.255 -10.574 -7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.093 -9.003 -7.287 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.823 -9.337 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.914 -10.739 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.386 -9.507 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.049 -9.289 -5.948 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.007 -6.576 -7.598 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.310 -5.924 -7.528 1.00 0.00 C ATOM 1318 C ASP A 89 -7.271 -6.722 -6.652 1.00 0.00 C ATOM 1319 O ASP A 89 -7.435 -7.929 -6.832 1.00 0.00 O ATOM 1320 CB ASP A 89 -6.897 -5.757 -8.930 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.302 -4.576 -9.671 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.075 -4.368 -9.568 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -7.063 -3.858 -10.352 1.00 0.00 O ATOM 0 H ASP A 89 -4.743 -6.892 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.172 -4.939 -7.081 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.723 -6.667 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.977 -5.629 -8.855 1.00 0.00 H new ATOM 1328 N LYS A 90 -7.903 -6.040 -5.703 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.848 -6.684 -4.798 1.00 0.00 C ATOM 1330 C LYS A 90 -9.775 -7.626 -5.560 1.00 0.00 C ATOM 1331 O LYS A 90 -10.058 -8.734 -5.106 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.673 -5.631 -4.055 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.566 -4.805 -4.964 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.341 -3.757 -4.183 1.00 0.00 C ATOM 1335 CE LYS A 90 -11.869 -2.660 -5.094 1.00 0.00 C ATOM 1336 NZ LYS A 90 -10.868 -1.575 -5.294 1.00 0.00 N ATOM 0 H LYS A 90 -7.778 -5.041 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.279 -7.268 -4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.291 -6.127 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.998 -4.964 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.959 -4.317 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.263 -5.461 -5.485 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.173 -4.231 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.696 -3.319 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.138 -3.088 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.779 -2.240 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.162 -0.729 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.939 -1.892 -4.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.803 -1.345 -6.306 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.242 -7.178 -6.721 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.136 -7.983 -7.546 1.00 0.00 C ATOM 1352 C GLU A 91 -10.703 -9.446 -7.549 1.00 0.00 C ATOM 1353 O GLU A 91 -11.531 -10.351 -7.441 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.168 -7.445 -8.978 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.133 -6.288 -9.172 1.00 0.00 C ATOM 1356 CD GLU A 91 -11.854 -5.131 -8.231 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -10.870 -4.399 -8.465 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -12.622 -4.959 -7.261 1.00 0.00 O ATOM 0 H GLU A 91 -10.017 -6.263 -7.111 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.137 -7.920 -7.120 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.165 -7.122 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.443 -8.254 -9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.071 -5.937 -10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.153 -6.640 -9.016 1.00 0.00 H new ATOM 1365 N THR A 92 -9.399 -9.671 -7.676 1.00 0.00 N ATOM 1366 CA THR A 92 -8.855 -11.023 -7.696 1.00 0.00 C ATOM 1367 C THR A 92 -8.624 -11.543 -6.282 1.00 0.00 C ATOM 1368 O THR A 92 -8.994 -12.672 -5.958 1.00 0.00 O ATOM 1369 CB THR A 92 -7.528 -11.083 -8.476 1.00 0.00 C ATOM 1370 OG1 THR A 92 -7.697 -10.504 -9.775 1.00 0.00 O ATOM 1371 CG2 THR A 92 -7.046 -12.519 -8.614 1.00 0.00 C ATOM 0 H THR A 92 -8.700 -8.934 -7.767 1.00 0.00 H new ATOM 0 HA THR A 92 -9.591 -11.653 -8.196 1.00 0.00 H new ATOM 0 HB THR A 92 -6.780 -10.517 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 92 -6.849 -10.544 -10.264 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.108 -12.536 -9.168 1.00 0.00 H new ATOM 0 HG22 THR A 92 -6.891 -12.947 -7.624 1.00 0.00 H new ATOM 0 HG23 THR A 92 -7.794 -13.104 -9.149 1.00 0.00 H new ATOM 1379 N ASP A 93 -8.011 -10.715 -5.444 1.00 0.00 N ATOM 1380 CA ASP A 93 -7.733 -11.091 -4.063 1.00 0.00 C ATOM 1381 C ASP A 93 -8.932 -11.799 -3.440 1.00 0.00 C ATOM 1382 O ASP A 93 -9.987 -11.197 -3.240 1.00 0.00 O ATOM 1383 CB ASP A 93 -7.369 -9.856 -3.239 1.00 0.00 C ATOM 1384 CG ASP A 93 -6.489 -10.191 -2.050 1.00 0.00 C ATOM 1385 OD1 ASP A 93 -6.520 -11.355 -1.599 1.00 0.00 O ATOM 1386 OD2 ASP A 93 -5.770 -9.289 -1.572 1.00 0.00 O ATOM 0 H ASP A 93 -7.697 -9.778 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 93 -6.888 -11.779 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.855 -9.136 -3.876 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.282 -9.375 -2.887 1.00 0.00 H new ATOM 1391 N LYS A 94 -8.764 -13.082 -3.137 1.00 0.00 N ATOM 1392 CA LYS A 94 -9.831 -13.873 -2.537 1.00 0.00 C ATOM 1393 C LYS A 94 -10.563 -13.074 -1.463 1.00 0.00 C ATOM 1394 O LYS A 94 -10.040 -12.863 -0.369 1.00 0.00 O ATOM 1395 CB LYS A 94 -9.263 -15.158 -1.931 1.00 0.00 C ATOM 1396 CG LYS A 94 -7.978 -14.946 -1.149 1.00 0.00 C ATOM 1397 CD LYS A 94 -7.065 -16.158 -1.236 1.00 0.00 C ATOM 1398 CE LYS A 94 -5.627 -15.797 -0.899 1.00 0.00 C ATOM 1399 NZ LYS A 94 -4.709 -16.956 -1.074 1.00 0.00 N ATOM 0 H LYS A 94 -7.898 -13.596 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.542 -14.131 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.010 -15.600 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.078 -15.876 -2.730 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.457 -14.069 -1.534 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.216 -14.743 -0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.417 -16.930 -0.552 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.110 -16.578 -2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.300 -14.975 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.573 -15.443 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.738 -16.669 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -5.006 -17.731 -0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.741 -17.278 -2.062 1.00 0.00 H new ATOM 1413 N ARG A 95 -11.775 -12.633 -1.784 1.00 0.00 N ATOM 1414 CA ARG A 95 -12.579 -11.857 -0.846 1.00 0.00 C ATOM 1415 C ARG A 95 -13.404 -12.775 0.051 1.00 0.00 C ATOM 1416 O ARG A 95 -13.795 -13.870 -0.355 1.00 0.00 O ATOM 1417 CB ARG A 95 -13.502 -10.901 -1.603 1.00 0.00 C ATOM 1418 CG ARG A 95 -14.532 -11.606 -2.470 1.00 0.00 C ATOM 1419 CD ARG A 95 -15.512 -10.620 -3.085 1.00 0.00 C ATOM 1420 NE ARG A 95 -16.477 -11.280 -3.960 1.00 0.00 N ATOM 1421 CZ ARG A 95 -17.344 -10.626 -4.725 1.00 0.00 C ATOM 1422 NH1 ARG A 95 -17.365 -9.300 -4.723 1.00 0.00 N ATOM 1423 NH2 ARG A 95 -18.191 -11.298 -5.494 1.00 0.00 N ATOM 0 H ARG A 95 -12.222 -12.799 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 95 -11.902 -11.277 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -14.019 -10.264 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -12.897 -10.247 -2.231 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -14.026 -12.159 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -15.076 -12.335 -1.870 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -16.043 -10.094 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -14.962 -9.869 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 95 -16.486 -12.300 -3.985 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.715 -8.781 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -18.031 -8.800 -5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -18.177 -12.318 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -18.856 -10.795 -6.081 1.00 0.00 H new ATOM 1437 N HIS A 96 -13.666 -12.321 1.273 1.00 0.00 N ATOM 1438 CA HIS A 96 -14.445 -13.101 2.227 1.00 0.00 C ATOM 1439 C HIS A 96 -15.833 -12.497 2.418 1.00 0.00 C ATOM 1440 O HIS A 96 -15.973 -11.293 2.633 1.00 0.00 O ATOM 1441 CB HIS A 96 -13.719 -13.174 3.571 1.00 0.00 C ATOM 1442 CG HIS A 96 -14.509 -13.861 4.642 1.00 0.00 C ATOM 1443 ND1 HIS A 96 -13.986 -14.853 5.445 1.00 0.00 N ATOM 1444 CD2 HIS A 96 -15.791 -13.693 5.042 1.00 0.00 C ATOM 1445 CE1 HIS A 96 -14.913 -15.266 6.291 1.00 0.00 C ATOM 1446 NE2 HIS A 96 -16.018 -14.578 6.067 1.00 0.00 N ATOM 0 H HIS A 96 -13.350 -11.417 1.625 1.00 0.00 H new ATOM 0 HA HIS A 96 -14.558 -14.109 1.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -12.773 -13.699 3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -13.479 -12.163 3.900 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -16.503 -12.993 4.631 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.788 -16.035 7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -16.897 -14.686 6.573 1.00 0.00 H new ATOM 1455 N VAL A 97 -16.857 -13.341 2.337 1.00 0.00 N ATOM 1456 CA VAL A 97 -18.234 -12.890 2.501 1.00 0.00 C ATOM 1457 C VAL A 97 -18.963 -13.722 3.550 1.00 0.00 C ATOM 1458 O VAL A 97 -18.457 -14.748 4.004 1.00 0.00 O ATOM 1459 CB VAL A 97 -19.010 -12.964 1.173 1.00 0.00 C ATOM 1460 CG1 VAL A 97 -18.379 -12.050 0.134 1.00 0.00 C ATOM 1461 CG2 VAL A 97 -19.068 -14.398 0.669 1.00 0.00 C ATOM 0 H VAL A 97 -16.759 -14.341 2.159 1.00 0.00 H new ATOM 0 HA VAL A 97 -18.191 -11.852 2.831 1.00 0.00 H new ATOM 0 HB VAL A 97 -20.030 -12.624 1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -18.941 -12.116 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -18.395 -11.022 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.348 -12.356 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -19.620 -14.431 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -18.056 -14.768 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -19.570 -15.023 1.407 1.00 0.00 H new ATOM 1471 N GLU A 98 -20.155 -13.272 3.931 1.00 0.00 N ATOM 1472 CA GLU A 98 -20.953 -13.976 4.927 1.00 0.00 C ATOM 1473 C GLU A 98 -22.349 -13.369 5.033 1.00 0.00 C ATOM 1474 O GLU A 98 -22.593 -12.262 4.555 1.00 0.00 O ATOM 1475 CB GLU A 98 -20.262 -13.932 6.292 1.00 0.00 C ATOM 1476 CG GLU A 98 -19.615 -12.593 6.603 1.00 0.00 C ATOM 1477 CD GLU A 98 -20.548 -11.652 7.339 1.00 0.00 C ATOM 1478 OE1 GLU A 98 -21.437 -12.144 8.066 1.00 0.00 O ATOM 1479 OE2 GLU A 98 -20.390 -10.422 7.188 1.00 0.00 O ATOM 0 H GLU A 98 -20.588 -12.424 3.565 1.00 0.00 H new ATOM 0 HA GLU A 98 -21.049 -15.014 4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -20.993 -14.162 7.067 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -19.501 -14.711 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -18.721 -12.757 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -19.292 -12.125 5.673 1.00 0.00 H new ATOM 1486 N GLN A 99 -23.261 -14.103 5.662 1.00 0.00 N ATOM 1487 CA GLN A 99 -24.633 -13.638 5.829 1.00 0.00 C ATOM 1488 C GLN A 99 -25.243 -14.191 7.114 1.00 0.00 C ATOM 1489 O GLN A 99 -24.950 -15.316 7.519 1.00 0.00 O ATOM 1490 CB GLN A 99 -25.484 -14.052 4.628 1.00 0.00 C ATOM 1491 CG GLN A 99 -26.874 -13.436 4.626 1.00 0.00 C ATOM 1492 CD GLN A 99 -27.767 -14.012 3.544 1.00 0.00 C ATOM 1493 OE1 GLN A 99 -27.363 -14.126 2.386 1.00 0.00 O ATOM 1494 NE2 GLN A 99 -28.987 -14.381 3.917 1.00 0.00 N ATOM 0 H GLN A 99 -23.075 -15.022 6.064 1.00 0.00 H new ATOM 0 HA GLN A 99 -24.615 -12.550 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -24.968 -13.766 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -25.577 -15.138 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -27.339 -13.596 5.599 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -26.789 -12.358 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -29.279 -14.268 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -29.632 -14.777 3.233 1.00 0.00 H new ATOM 1503 N LYS A 100 -26.092 -13.392 7.751 1.00 0.00 N ATOM 1504 CA LYS A 100 -26.744 -13.800 8.989 1.00 0.00 C ATOM 1505 C LYS A 100 -28.224 -14.085 8.756 1.00 0.00 C ATOM 1506 O LYS A 100 -28.796 -13.668 7.749 1.00 0.00 O ATOM 1507 CB LYS A 100 -26.585 -12.714 10.056 1.00 0.00 C ATOM 1508 CG LYS A 100 -25.175 -12.607 10.610 1.00 0.00 C ATOM 1509 CD LYS A 100 -25.137 -11.778 11.882 1.00 0.00 C ATOM 1510 CE LYS A 100 -23.734 -11.718 12.466 1.00 0.00 C ATOM 1511 NZ LYS A 100 -23.258 -13.059 12.907 1.00 0.00 N ATOM 0 H LYS A 100 -26.345 -12.457 7.430 1.00 0.00 H new ATOM 0 HA LYS A 100 -26.266 -14.716 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -26.873 -11.753 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -27.274 -12.918 10.876 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -24.786 -13.605 10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -24.522 -12.157 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -25.488 -10.768 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -25.820 -12.205 12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -23.047 -11.316 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -23.722 -11.032 13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -22.395 -12.951 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -23.996 -13.519 13.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -23.050 -13.645 12.073 1.00 0.00 H new ATOM 1525 N SER A 101 -28.840 -14.798 9.694 1.00 0.00 N ATOM 1526 CA SER A 101 -30.254 -15.141 9.589 1.00 0.00 C ATOM 1527 C SER A 101 -31.098 -14.249 10.494 1.00 0.00 C ATOM 1528 O SER A 101 -31.946 -13.493 10.023 1.00 0.00 O ATOM 1529 CB SER A 101 -30.472 -16.610 9.955 1.00 0.00 C ATOM 1530 OG SER A 101 -29.602 -17.454 9.220 1.00 0.00 O ATOM 0 H SER A 101 -28.382 -15.149 10.535 1.00 0.00 H new ATOM 0 HA SER A 101 -30.566 -14.981 8.557 1.00 0.00 H new ATOM 0 HB2 SER A 101 -30.304 -16.751 11.023 1.00 0.00 H new ATOM 0 HB3 SER A 101 -31.507 -16.888 9.756 1.00 0.00 H new ATOM 0 HG SER A 101 -29.760 -18.387 9.474 1.00 0.00 H new ATOM 1536 N GLY A 102 -30.857 -14.343 11.799 1.00 0.00 N ATOM 1537 CA GLY A 102 -31.602 -13.540 12.750 1.00 0.00 C ATOM 1538 C GLY A 102 -33.102 -13.660 12.562 1.00 0.00 C ATOM 1539 O GLY A 102 -33.735 -12.832 11.908 1.00 0.00 O ATOM 0 H GLY A 102 -30.159 -14.961 12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -31.340 -13.846 13.763 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -31.309 -12.495 12.647 1.00 0.00 H new ATOM 1543 N PRO A 103 -33.692 -14.715 13.144 1.00 0.00 N ATOM 1544 CA PRO A 103 -35.133 -14.966 13.050 1.00 0.00 C ATOM 1545 C PRO A 103 -35.952 -13.949 13.837 1.00 0.00 C ATOM 1546 O PRO A 103 -35.936 -13.944 15.068 1.00 0.00 O ATOM 1547 CB PRO A 103 -35.290 -16.363 13.656 1.00 0.00 C ATOM 1548 CG PRO A 103 -34.125 -16.511 14.573 1.00 0.00 C ATOM 1549 CD PRO A 103 -32.999 -15.742 13.939 1.00 0.00 C ATOM 0 HA PRO A 103 -35.494 -14.888 12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -36.233 -16.457 14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -35.286 -17.132 12.884 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -34.356 -16.119 15.564 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -33.858 -17.560 14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -32.345 -15.296 14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -32.377 -16.382 13.314 1.00 0.00 H new ATOM 1557 N SER A 104 -36.667 -13.088 13.119 1.00 0.00 N ATOM 1558 CA SER A 104 -37.489 -12.063 13.751 1.00 0.00 C ATOM 1559 C SER A 104 -38.522 -12.693 14.681 1.00 0.00 C ATOM 1560 O SER A 104 -39.571 -13.160 14.236 1.00 0.00 O ATOM 1561 CB SER A 104 -38.192 -11.216 12.689 1.00 0.00 C ATOM 1562 OG SER A 104 -38.622 -9.978 13.226 1.00 0.00 O ATOM 0 H SER A 104 -36.693 -13.080 12.099 1.00 0.00 H new ATOM 0 HA SER A 104 -36.836 -11.422 14.342 1.00 0.00 H new ATOM 0 HB2 SER A 104 -37.514 -11.038 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 104 -39.049 -11.761 12.293 1.00 0.00 H new ATOM 0 HG SER A 104 -39.067 -9.455 12.527 1.00 0.00 H new ATOM 1568 N SER A 105 -38.218 -12.701 15.975 1.00 0.00 N ATOM 1569 CA SER A 105 -39.117 -13.276 16.968 1.00 0.00 C ATOM 1570 C SER A 105 -39.828 -12.181 17.756 1.00 0.00 C ATOM 1571 O SER A 105 -39.195 -11.262 18.274 1.00 0.00 O ATOM 1572 CB SER A 105 -38.341 -14.186 17.923 1.00 0.00 C ATOM 1573 OG SER A 105 -38.024 -15.422 17.306 1.00 0.00 O ATOM 0 H SER A 105 -37.356 -12.316 16.360 1.00 0.00 H new ATOM 0 HA SER A 105 -39.868 -13.867 16.443 1.00 0.00 H new ATOM 0 HB2 SER A 105 -37.424 -13.689 18.240 1.00 0.00 H new ATOM 0 HB3 SER A 105 -38.933 -14.365 18.821 1.00 0.00 H new ATOM 0 HG SER A 105 -37.527 -15.984 17.936 1.00 0.00 H new ATOM 1579 N GLY A 106 -41.151 -12.286 17.843 1.00 0.00 N ATOM 1580 CA GLY A 106 -41.927 -11.298 18.570 1.00 0.00 C ATOM 1581 C GLY A 106 -41.748 -11.409 20.071 1.00 0.00 C ATOM 1582 O GLY A 106 -40.668 -11.756 20.549 1.00 0.00 O ATOM 0 H GLY A 106 -41.699 -13.037 17.423 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -41.634 -10.300 18.245 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -42.982 -11.416 18.323 1.00 0.00 H new TER 1586 GLY A 106