USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 677 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 88 SER OG : rot -27:sc= 0.857 USER MOD Set 1.2: A 89 GLN : amide:sc= -0.201 K(o=0.66,f=-0.15) USER MOD Set 2.1: A 84 HIS : no HD1:sc= 0.0181 K(o=0.12,f=-4.3!) USER MOD Set 2.2: A 86 THR OG1 : rot -89:sc= 0.101 USER MOD Set 3.1: A 20 SER OG : rot -37:sc= 0.278 USER MOD Set 3.2: A 71 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 4 THR OG1 : rot 21:sc= 0.625 USER MOD Single : A 6 LYS NZ :NH3+ -107:sc= -1.46 (180deg=-3.96!) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0041 F(o=-1.1,f=-0.0041) USER MOD Single : A 10 TYR OH : rot 46:sc= 0.515 USER MOD Single : A 11 SER OG : rot 180:sc= 0.136 USER MOD Single : A 13 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.06) USER MOD Single : A 17 ASN : amide:sc= -3.93! C(o=-3.9!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= -0.0825 (180deg=-0.496) USER MOD Single : A 21 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 24 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 78:sc= 1.11 USER MOD Single : A 31 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.023) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.77) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.237! (180deg=-0.465) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.0158 F(o=-0.52,f=-0.016) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0393 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 79:sc= 1.16 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 73 THR OG1 : rot -33:sc= 1.28 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= -0.0214 (180deg=-0.195) USER MOD Single : A 78 TYR OH : rot 72:sc= 0.388 USER MOD Single : A 83 ASN : amide:sc= -1.4 K(o=-1.4,f=-9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 1.34 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.034 -4.705 -4.329 1.00 0.00 N ATOM 37 CA ARG A 3 -16.102 -4.451 -5.415 1.00 0.00 C ATOM 38 C ARG A 3 -14.691 -4.836 -5.027 1.00 0.00 C ATOM 39 O ARG A 3 -14.295 -4.697 -3.870 1.00 0.00 O ATOM 40 CB ARG A 3 -16.122 -2.987 -5.835 1.00 0.00 C ATOM 41 CG ARG A 3 -14.897 -2.620 -6.687 1.00 0.00 C ATOM 42 CD ARG A 3 -15.237 -2.362 -8.160 1.00 0.00 C ATOM 43 NE ARG A 3 -15.735 -3.575 -8.816 1.00 0.00 N ATOM 44 CZ ARG A 3 -16.387 -3.586 -9.977 1.00 0.00 C ATOM 45 NH1 ARG A 3 -16.644 -2.449 -10.610 1.00 0.00 N ATOM 46 NH2 ARG A 3 -16.789 -4.737 -10.502 1.00 0.00 N ATOM 0 HA ARG A 3 -16.423 -5.066 -6.256 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.032 -2.784 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.150 -2.355 -4.948 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.426 -1.730 -6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.166 -3.426 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.988 -1.575 -8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.350 -2.003 -8.682 1.00 0.00 H new ATOM 0 HE ARG A 3 -15.571 -4.469 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.342 -1.562 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.144 -2.462 -11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.599 -5.613 -10.016 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.288 -4.745 -11.391 1.00 0.00 H new ATOM 60 N THR A 4 -13.944 -5.328 -6.007 1.00 0.00 N ATOM 61 CA THR A 4 -12.554 -5.657 -5.810 1.00 0.00 C ATOM 62 C THR A 4 -11.692 -4.406 -5.615 1.00 0.00 C ATOM 63 O THR A 4 -11.596 -3.560 -6.509 1.00 0.00 O ATOM 64 CB THR A 4 -12.001 -6.487 -6.992 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.946 -5.682 -8.178 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.869 -7.703 -7.266 1.00 0.00 C ATOM 0 H THR A 4 -14.289 -5.506 -6.950 1.00 0.00 H new ATOM 0 HA THR A 4 -12.503 -6.255 -4.900 1.00 0.00 H new ATOM 0 HB THR A 4 -11.000 -6.821 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.942 -4.734 -7.930 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.454 -8.265 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.897 -8.337 -6.380 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.880 -7.380 -7.513 1.00 0.00 H new ATOM 74 N PRO A 5 -11.070 -4.264 -4.432 1.00 0.00 N ATOM 75 CA PRO A 5 -10.105 -3.205 -4.172 1.00 0.00 C ATOM 76 C PRO A 5 -8.789 -3.510 -4.878 1.00 0.00 C ATOM 77 O PRO A 5 -8.210 -4.582 -4.691 1.00 0.00 O ATOM 78 CB PRO A 5 -9.924 -3.219 -2.641 1.00 0.00 C ATOM 79 CG PRO A 5 -10.910 -4.220 -2.111 1.00 0.00 C ATOM 80 CD PRO A 5 -11.255 -5.124 -3.262 1.00 0.00 C ATOM 0 HA PRO A 5 -10.435 -2.232 -4.537 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.905 -3.497 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.107 -2.231 -2.218 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.481 -4.788 -1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.801 -3.723 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.603 -5.997 -3.297 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.278 -5.493 -3.191 1.00 0.00 H new ATOM 88 N LYS A 6 -8.324 -2.579 -5.693 1.00 0.00 N ATOM 89 CA LYS A 6 -7.154 -2.819 -6.521 1.00 0.00 C ATOM 90 C LYS A 6 -5.915 -2.242 -5.856 1.00 0.00 C ATOM 91 O LYS A 6 -6.000 -1.277 -5.091 1.00 0.00 O ATOM 92 CB LYS A 6 -7.356 -2.196 -7.907 1.00 0.00 C ATOM 93 CG LYS A 6 -6.277 -2.549 -8.919 1.00 0.00 C ATOM 94 CD LYS A 6 -6.427 -1.777 -10.228 1.00 0.00 C ATOM 95 CE LYS A 6 -7.686 -2.165 -10.999 1.00 0.00 C ATOM 96 NZ LYS A 6 -8.925 -1.601 -10.394 1.00 0.00 N ATOM 0 H LYS A 6 -8.737 -1.652 -5.799 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.016 -3.894 -6.638 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.322 -2.516 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.397 -1.112 -7.802 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.298 -2.341 -8.488 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.313 -3.619 -9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.452 -0.708 -10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.553 -1.957 -10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.598 -1.818 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.765 -3.252 -11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.460 -2.361 -9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.670 -0.875 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.511 -1.173 -11.139 1.00 0.00 H new ATOM 110 N ILE A 7 -4.768 -2.828 -6.156 1.00 0.00 N ATOM 111 CA ILE A 7 -3.536 -2.471 -5.478 1.00 0.00 C ATOM 112 C ILE A 7 -2.746 -1.448 -6.269 1.00 0.00 C ATOM 113 O ILE A 7 -2.337 -1.702 -7.402 1.00 0.00 O ATOM 114 CB ILE A 7 -2.630 -3.695 -5.250 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.463 -4.932 -4.919 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.636 -3.411 -4.134 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.401 -4.735 -3.759 1.00 0.00 C ATOM 0 H ILE A 7 -4.666 -3.554 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.834 -2.053 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.079 -3.892 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.041 -5.216 -5.798 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.793 -5.762 -4.696 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.001 -4.284 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.018 -2.555 -4.406 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.176 -3.190 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.959 -5.654 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.828 -4.481 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.096 -3.927 -3.986 1.00 0.00 H new ATOM 129 N GLN A 8 -2.538 -0.294 -5.670 1.00 0.00 N ATOM 130 CA GLN A 8 -1.674 0.712 -6.248 1.00 0.00 C ATOM 131 C GLN A 8 -0.603 1.099 -5.236 1.00 0.00 C ATOM 132 O GLN A 8 -0.910 1.584 -4.147 1.00 0.00 O ATOM 133 CB GLN A 8 -2.489 1.932 -6.673 1.00 0.00 C ATOM 134 CG GLN A 8 -3.386 1.677 -7.872 1.00 0.00 C ATOM 135 CD GLN A 8 -4.152 2.911 -8.302 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.547 4.077 -8.136 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -5.274 2.817 -8.798 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.958 -0.029 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.190 0.308 -7.137 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.103 2.259 -5.834 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.808 2.750 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.780 1.322 -8.705 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.092 0.882 -7.630 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.707 1.900 -8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.771 3.656 -9.098 1.00 0.00 H new ATOM 146 N VAL A 9 0.648 0.870 -5.598 1.00 0.00 N ATOM 147 CA VAL A 9 1.765 1.132 -4.706 1.00 0.00 C ATOM 148 C VAL A 9 2.914 1.776 -5.473 1.00 0.00 C ATOM 149 O VAL A 9 3.364 1.263 -6.501 1.00 0.00 O ATOM 150 CB VAL A 9 2.237 -0.159 -3.976 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.288 -1.347 -4.923 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.596 0.047 -3.316 1.00 0.00 C ATOM 0 H VAL A 9 0.917 0.501 -6.510 1.00 0.00 H new ATOM 0 HA VAL A 9 1.424 1.827 -3.939 1.00 0.00 H new ATOM 0 HB VAL A 9 1.504 -0.375 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.622 -2.231 -4.380 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.295 -1.527 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.984 -1.136 -5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.900 -0.872 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.334 0.306 -4.075 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.528 0.854 -2.586 1.00 0.00 H new ATOM 162 N TYR A 10 3.372 2.909 -4.968 1.00 0.00 N ATOM 163 CA TYR A 10 4.410 3.685 -5.619 1.00 0.00 C ATOM 164 C TYR A 10 5.128 4.551 -4.589 1.00 0.00 C ATOM 165 O TYR A 10 4.668 4.696 -3.455 1.00 0.00 O ATOM 166 CB TYR A 10 3.815 4.558 -6.740 1.00 0.00 C ATOM 167 CG TYR A 10 2.900 5.670 -6.265 1.00 0.00 C ATOM 168 CD1 TYR A 10 1.531 5.473 -6.136 1.00 0.00 C ATOM 169 CD2 TYR A 10 3.410 6.925 -5.958 1.00 0.00 C ATOM 170 CE1 TYR A 10 0.699 6.495 -5.712 1.00 0.00 C ATOM 171 CE2 TYR A 10 2.588 7.948 -5.534 1.00 0.00 C ATOM 172 CZ TYR A 10 1.235 7.730 -5.413 1.00 0.00 C ATOM 173 OH TYR A 10 0.416 8.752 -4.990 1.00 0.00 O ATOM 0 H TYR A 10 3.034 3.315 -4.096 1.00 0.00 H new ATOM 0 HA TYR A 10 5.129 3.002 -6.071 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.633 4.999 -7.310 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.259 3.917 -7.424 1.00 0.00 H new ATOM 0 HD1 TYR A 10 1.109 4.507 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.471 7.103 -6.053 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -0.363 6.326 -5.616 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.005 8.916 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.204 8.414 -4.310 1.00 0.00 H new ATOM 183 N SER A 11 6.261 5.100 -4.984 1.00 0.00 N ATOM 184 CA SER A 11 7.067 5.942 -4.114 1.00 0.00 C ATOM 185 C SER A 11 6.521 7.375 -4.071 1.00 0.00 C ATOM 186 O SER A 11 6.195 7.949 -5.107 1.00 0.00 O ATOM 187 CB SER A 11 8.504 5.924 -4.663 1.00 0.00 C ATOM 188 OG SER A 11 8.486 5.671 -6.059 1.00 0.00 O ATOM 0 H SER A 11 6.651 4.976 -5.918 1.00 0.00 H new ATOM 0 HA SER A 11 7.041 5.563 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.990 6.879 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.087 5.157 -4.153 1.00 0.00 H new ATOM 0 HG SER A 11 9.404 5.663 -6.402 1.00 0.00 H new ATOM 194 N ARG A 12 6.424 7.941 -2.859 1.00 0.00 N ATOM 195 CA ARG A 12 5.896 9.305 -2.680 1.00 0.00 C ATOM 196 C ARG A 12 6.775 10.315 -3.423 1.00 0.00 C ATOM 197 O ARG A 12 6.279 11.205 -4.108 1.00 0.00 O ATOM 198 CB ARG A 12 5.838 9.638 -1.169 1.00 0.00 C ATOM 199 CG ARG A 12 5.058 10.896 -0.766 1.00 0.00 C ATOM 200 CD ARG A 12 5.827 12.172 -1.060 1.00 0.00 C ATOM 201 NE ARG A 12 7.129 12.200 -0.390 1.00 0.00 N ATOM 202 CZ ARG A 12 7.356 12.809 0.773 1.00 0.00 C ATOM 203 NH1 ARG A 12 6.351 13.341 1.459 1.00 0.00 N ATOM 204 NH2 ARG A 12 8.589 12.855 1.266 1.00 0.00 N ATOM 0 H ARG A 12 6.702 7.480 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 12 4.890 9.362 -3.095 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.399 8.786 -0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.860 9.741 -0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.107 10.917 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.826 10.851 0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.972 12.267 -2.136 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.237 13.031 -0.741 1.00 0.00 H new ATOM 0 HE ARG A 12 7.910 11.724 -0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.399 13.285 1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.531 13.806 2.349 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.359 12.425 0.754 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.765 13.321 2.156 1.00 0.00 H new ATOM 218 N HIS A 13 8.077 10.165 -3.257 1.00 0.00 N ATOM 219 CA HIS A 13 9.059 10.961 -3.985 1.00 0.00 C ATOM 220 C HIS A 13 10.024 10.015 -4.713 1.00 0.00 C ATOM 221 O HIS A 13 9.900 8.798 -4.540 1.00 0.00 O ATOM 222 CB HIS A 13 9.830 11.885 -3.031 1.00 0.00 C ATOM 223 CG HIS A 13 9.148 13.191 -2.750 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.641 14.057 -1.805 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.035 13.735 -3.308 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.827 15.100 -1.807 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.840 14.948 -2.701 1.00 0.00 N ATOM 0 H HIS A 13 8.487 9.488 -2.614 1.00 0.00 H new ATOM 0 HA HIS A 13 8.545 11.591 -4.711 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.990 11.362 -2.088 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.814 12.086 -3.455 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.422 13.296 -4.081 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.943 15.964 -1.169 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.087 15.609 -2.893 1.00 0.00 H new ATOM 235 N PRO A 14 10.990 10.519 -5.530 1.00 0.00 N ATOM 236 CA PRO A 14 11.943 9.645 -6.227 1.00 0.00 C ATOM 237 C PRO A 14 12.688 8.716 -5.270 1.00 0.00 C ATOM 238 O PRO A 14 13.276 9.156 -4.278 1.00 0.00 O ATOM 239 CB PRO A 14 12.929 10.608 -6.907 1.00 0.00 C ATOM 240 CG PRO A 14 12.667 11.964 -6.307 1.00 0.00 C ATOM 241 CD PRO A 14 11.225 11.942 -5.853 1.00 0.00 C ATOM 0 HA PRO A 14 11.430 8.990 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.959 10.297 -6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.778 10.623 -7.986 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.338 12.157 -5.470 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.835 12.754 -7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.067 12.583 -4.985 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.552 12.293 -6.635 1.00 0.00 H new ATOM 249 N ALA A 15 12.645 7.427 -5.577 1.00 0.00 N ATOM 250 CA ALA A 15 13.290 6.413 -4.775 1.00 0.00 C ATOM 251 C ALA A 15 14.796 6.532 -4.868 1.00 0.00 C ATOM 252 O ALA A 15 15.347 6.728 -5.951 1.00 0.00 O ATOM 253 CB ALA A 15 12.866 5.035 -5.241 1.00 0.00 C ATOM 0 H ALA A 15 12.158 7.060 -6.395 1.00 0.00 H new ATOM 0 HA ALA A 15 12.988 6.558 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.357 4.277 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.785 4.935 -5.144 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.150 4.900 -6.285 1.00 0.00 H new ATOM 259 N GLU A 16 15.458 6.409 -3.741 1.00 0.00 N ATOM 260 CA GLU A 16 16.904 6.454 -3.713 1.00 0.00 C ATOM 261 C GLU A 16 17.458 5.383 -2.778 1.00 0.00 C ATOM 262 O GLU A 16 17.019 5.249 -1.638 1.00 0.00 O ATOM 263 CB GLU A 16 17.374 7.833 -3.268 1.00 0.00 C ATOM 264 CG GLU A 16 18.866 8.038 -3.438 1.00 0.00 C ATOM 265 CD GLU A 16 19.298 7.873 -4.877 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.673 6.750 -5.262 1.00 0.00 O ATOM 267 OE2 GLU A 16 19.238 8.861 -5.636 1.00 0.00 O ATOM 0 H GLU A 16 15.019 6.277 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 16 17.276 6.258 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.842 8.593 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.111 7.979 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.137 9.035 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.404 7.325 -2.814 1.00 0.00 H new ATOM 274 N ASN A 17 18.412 4.619 -3.282 1.00 0.00 N ATOM 275 CA ASN A 17 19.052 3.566 -2.502 1.00 0.00 C ATOM 276 C ASN A 17 20.113 4.148 -1.575 1.00 0.00 C ATOM 277 O ASN A 17 21.051 4.822 -2.009 1.00 0.00 O ATOM 278 CB ASN A 17 19.640 2.494 -3.432 1.00 0.00 C ATOM 279 CG ASN A 17 20.747 1.657 -2.801 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.752 1.390 -1.602 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.695 1.233 -3.619 1.00 0.00 N ATOM 0 H ASN A 17 18.765 4.707 -4.235 1.00 0.00 H new ATOM 0 HA ASN A 17 18.299 3.088 -1.876 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.838 1.830 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.032 2.980 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.462 0.665 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.659 1.474 -4.610 1.00 0.00 H new ATOM 288 N GLY A 18 19.941 3.868 -0.295 1.00 0.00 N ATOM 289 CA GLY A 18 20.808 4.418 0.724 1.00 0.00 C ATOM 290 C GLY A 18 20.231 5.694 1.283 1.00 0.00 C ATOM 291 O GLY A 18 20.898 6.441 1.999 1.00 0.00 O ATOM 0 H GLY A 18 19.204 3.260 0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.942 3.692 1.526 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.794 4.613 0.303 1.00 0.00 H new ATOM 295 N LYS A 19 18.971 5.928 0.957 1.00 0.00 N ATOM 296 CA LYS A 19 18.291 7.153 1.306 1.00 0.00 C ATOM 297 C LYS A 19 16.965 6.847 1.971 1.00 0.00 C ATOM 298 O LYS A 19 16.283 5.893 1.605 1.00 0.00 O ATOM 299 CB LYS A 19 18.043 7.936 0.028 1.00 0.00 C ATOM 300 CG LYS A 19 17.372 9.289 0.233 1.00 0.00 C ATOM 301 CD LYS A 19 18.348 10.377 0.654 1.00 0.00 C ATOM 302 CE LYS A 19 17.634 11.713 0.823 1.00 0.00 C ATOM 303 NZ LYS A 19 16.903 12.114 -0.413 1.00 0.00 N ATOM 0 H LYS A 19 18.392 5.266 0.440 1.00 0.00 H new ATOM 0 HA LYS A 19 18.903 7.730 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.996 8.091 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.423 7.335 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 19 16.879 9.588 -0.692 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.595 9.192 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.829 10.096 1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.136 10.473 -0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.932 11.647 1.654 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.361 12.483 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.649 13.121 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.511 11.958 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.039 11.543 -0.506 1.00 0.00 H new ATOM 317 N SER A 20 16.607 7.655 2.948 1.00 0.00 N ATOM 318 CA SER A 20 15.321 7.532 3.585 1.00 0.00 C ATOM 319 C SER A 20 14.250 8.142 2.696 1.00 0.00 C ATOM 320 O SER A 20 14.414 9.239 2.158 1.00 0.00 O ATOM 321 CB SER A 20 15.355 8.207 4.941 1.00 0.00 C ATOM 322 OG SER A 20 16.286 7.565 5.801 1.00 0.00 O ATOM 0 H SER A 20 17.193 8.404 3.316 1.00 0.00 H new ATOM 0 HA SER A 20 15.083 6.479 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.626 9.256 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.362 8.182 5.390 1.00 0.00 H new ATOM 0 HG SER A 20 16.259 6.597 5.648 1.00 0.00 H new ATOM 328 N ASN A 21 13.165 7.419 2.547 1.00 0.00 N ATOM 329 CA ASN A 21 12.132 7.766 1.588 1.00 0.00 C ATOM 330 C ASN A 21 10.770 7.437 2.182 1.00 0.00 C ATOM 331 O ASN A 21 10.696 6.846 3.260 1.00 0.00 O ATOM 332 CB ASN A 21 12.378 6.969 0.294 1.00 0.00 C ATOM 333 CG ASN A 21 11.737 7.588 -0.931 1.00 0.00 C ATOM 334 OD1 ASN A 21 12.214 8.590 -1.455 1.00 0.00 O ATOM 335 ND2 ASN A 21 10.676 6.971 -1.420 1.00 0.00 N ATOM 0 H ASN A 21 12.970 6.574 3.084 1.00 0.00 H new ATOM 0 HA ASN A 21 12.158 8.831 1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.452 6.884 0.128 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.994 5.957 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.223 7.325 -2.263 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.310 6.140 -0.955 1.00 0.00 H new ATOM 342 N PHE A 22 9.693 7.798 1.493 1.00 0.00 N ATOM 343 CA PHE A 22 8.354 7.529 1.992 1.00 0.00 C ATOM 344 C PHE A 22 7.616 6.653 0.988 1.00 0.00 C ATOM 345 O PHE A 22 7.562 6.970 -0.205 1.00 0.00 O ATOM 346 CB PHE A 22 7.565 8.827 2.208 1.00 0.00 C ATOM 347 CG PHE A 22 7.948 9.642 3.415 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.083 9.741 4.490 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.144 10.337 3.460 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.404 10.513 5.592 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.476 11.106 4.559 1.00 0.00 C ATOM 352 CZ PHE A 22 8.603 11.196 5.626 1.00 0.00 C ATOM 0 H PHE A 22 9.723 8.275 0.592 1.00 0.00 H new ATOM 0 HA PHE A 22 8.441 7.021 2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.681 9.451 1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.507 8.577 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.144 9.208 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 22 9.827 10.278 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.718 10.581 6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.417 11.636 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.858 11.799 6.485 1.00 0.00 H new ATOM 362 N LEU A 23 7.075 5.546 1.463 1.00 0.00 N ATOM 363 CA LEU A 23 6.271 4.664 0.628 1.00 0.00 C ATOM 364 C LEU A 23 4.842 5.163 0.615 1.00 0.00 C ATOM 365 O LEU A 23 4.441 5.902 1.507 1.00 0.00 O ATOM 366 CB LEU A 23 6.298 3.246 1.195 1.00 0.00 C ATOM 367 CG LEU A 23 6.647 2.099 0.224 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.540 0.760 0.947 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.755 2.089 -1.012 1.00 0.00 C ATOM 0 H LEU A 23 7.177 5.233 2.428 1.00 0.00 H new ATOM 0 HA LEU A 23 6.676 4.657 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.017 3.224 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.319 3.037 1.625 1.00 0.00 H new ATOM 0 HG LEU A 23 7.670 2.262 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.787 -0.047 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.234 0.744 1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.522 0.625 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.043 1.263 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.715 1.967 -0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.868 3.030 -1.550 1.00 0.00 H new ATOM 381 N ASN A 24 4.091 4.767 -0.390 1.00 0.00 N ATOM 382 CA ASN A 24 2.658 5.048 -0.432 1.00 0.00 C ATOM 383 C ASN A 24 1.909 3.854 -1.004 1.00 0.00 C ATOM 384 O ASN A 24 2.217 3.381 -2.101 1.00 0.00 O ATOM 385 CB ASN A 24 2.340 6.315 -1.251 1.00 0.00 C ATOM 386 CG ASN A 24 2.368 7.586 -0.421 1.00 0.00 C ATOM 387 OD1 ASN A 24 2.129 7.564 0.783 1.00 0.00 O ATOM 388 ND2 ASN A 24 2.625 8.712 -1.069 1.00 0.00 N ATOM 0 H ASN A 24 4.443 4.248 -1.194 1.00 0.00 H new ATOM 0 HA ASN A 24 2.329 5.229 0.591 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.060 6.404 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.356 6.208 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.629 9.600 -0.567 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.819 8.691 -2.070 1.00 0.00 H new ATOM 395 N CYS A 25 0.933 3.362 -0.256 1.00 0.00 N ATOM 396 CA CYS A 25 0.109 2.253 -0.698 1.00 0.00 C ATOM 397 C CYS A 25 -1.343 2.710 -0.690 1.00 0.00 C ATOM 398 O CYS A 25 -1.876 3.106 0.351 1.00 0.00 O ATOM 399 CB CYS A 25 0.320 1.043 0.210 1.00 0.00 C ATOM 400 SG CYS A 25 -0.111 -0.556 -0.552 1.00 0.00 S ATOM 0 H CYS A 25 0.693 3.719 0.669 1.00 0.00 H new ATOM 0 HA CYS A 25 0.385 1.949 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.365 1.014 0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.276 1.174 1.113 1.00 0.00 H new ATOM 405 N TYR A 26 -1.968 2.672 -1.854 1.00 0.00 N ATOM 406 CA TYR A 26 -3.292 3.235 -2.037 1.00 0.00 C ATOM 407 C TYR A 26 -4.271 2.145 -2.429 1.00 0.00 C ATOM 408 O TYR A 26 -4.277 1.687 -3.574 1.00 0.00 O ATOM 409 CB TYR A 26 -3.281 4.311 -3.133 1.00 0.00 C ATOM 410 CG TYR A 26 -2.936 5.724 -2.686 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.929 6.594 -2.240 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.634 6.214 -2.777 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.636 7.903 -1.901 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.335 7.518 -2.426 1.00 0.00 C ATOM 415 CZ TYR A 26 -2.338 8.358 -1.995 1.00 0.00 C ATOM 416 OH TYR A 26 -2.044 9.664 -1.668 1.00 0.00 O ATOM 0 H TYR A 26 -1.573 2.251 -2.695 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.598 3.688 -1.094 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.567 4.011 -3.900 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.264 4.331 -3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.946 6.240 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.846 5.564 -3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.420 8.565 -1.564 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.318 7.877 -2.490 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.084 9.823 -1.788 1.00 0.00 H new ATOM 426 N VAL A 27 -5.083 1.716 -1.484 1.00 0.00 N ATOM 427 CA VAL A 27 -6.113 0.740 -1.776 1.00 0.00 C ATOM 428 C VAL A 27 -7.477 1.419 -1.699 1.00 0.00 C ATOM 429 O VAL A 27 -7.932 1.790 -0.619 1.00 0.00 O ATOM 430 CB VAL A 27 -6.070 -0.465 -0.811 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.765 -1.657 -1.440 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.640 -0.826 -0.431 1.00 0.00 C ATOM 0 H VAL A 27 -5.050 2.026 -0.513 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.935 0.353 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.594 -0.184 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.730 -2.503 -0.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.804 -1.403 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.261 -1.923 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.648 -1.678 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.079 -1.084 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.168 0.025 0.060 1.00 0.00 H new ATOM 442 N SER A 28 -8.105 1.613 -2.851 1.00 0.00 N ATOM 443 CA SER A 28 -9.367 2.336 -2.920 1.00 0.00 C ATOM 444 C SER A 28 -10.277 1.739 -3.994 1.00 0.00 C ATOM 445 O SER A 28 -9.903 0.782 -4.678 1.00 0.00 O ATOM 446 CB SER A 28 -9.097 3.822 -3.199 1.00 0.00 C ATOM 447 OG SER A 28 -10.287 4.595 -3.142 1.00 0.00 O ATOM 0 H SER A 28 -7.760 1.279 -3.751 1.00 0.00 H new ATOM 0 HA SER A 28 -9.879 2.244 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.381 4.204 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.641 3.930 -4.183 1.00 0.00 H new ATOM 0 HG SER A 28 -10.525 4.761 -2.206 1.00 0.00 H new ATOM 453 N GLY A 29 -11.474 2.307 -4.130 1.00 0.00 N ATOM 454 CA GLY A 29 -12.427 1.830 -5.110 1.00 0.00 C ATOM 455 C GLY A 29 -13.344 0.773 -4.540 1.00 0.00 C ATOM 456 O GLY A 29 -13.974 0.022 -5.280 1.00 0.00 O ATOM 0 H GLY A 29 -11.799 3.096 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.022 2.667 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.892 1.422 -5.967 1.00 0.00 H new ATOM 460 N PHE A 30 -13.423 0.713 -3.219 1.00 0.00 N ATOM 461 CA PHE A 30 -14.139 -0.368 -2.558 1.00 0.00 C ATOM 462 C PHE A 30 -15.191 0.137 -1.563 1.00 0.00 C ATOM 463 O PHE A 30 -15.402 1.339 -1.403 1.00 0.00 O ATOM 464 CB PHE A 30 -13.140 -1.262 -1.816 1.00 0.00 C ATOM 465 CG PHE A 30 -12.457 -0.547 -0.681 1.00 0.00 C ATOM 466 CD1 PHE A 30 -12.978 -0.602 0.600 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.307 0.192 -0.898 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.369 0.067 1.640 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.694 0.861 0.139 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.225 0.799 1.409 1.00 0.00 C ATOM 0 H PHE A 30 -13.003 1.395 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.662 -0.926 -3.334 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.660 -2.138 -1.428 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.389 -1.622 -2.519 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.873 -1.176 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.886 0.245 -1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.788 0.017 2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.797 1.434 -0.044 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.745 1.323 2.222 1.00 0.00 H new ATOM 480 N HIS A 31 -15.835 -0.829 -0.908 1.00 0.00 N ATOM 481 CA HIS A 31 -16.753 -0.600 0.198 1.00 0.00 C ATOM 482 C HIS A 31 -16.738 -1.868 1.066 1.00 0.00 C ATOM 483 O HIS A 31 -16.136 -2.861 0.646 1.00 0.00 O ATOM 484 CB HIS A 31 -18.170 -0.234 -0.303 1.00 0.00 C ATOM 485 CG HIS A 31 -18.714 -1.083 -1.419 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.792 -1.909 -1.226 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.349 -1.135 -2.724 1.00 0.00 C ATOM 488 CE1 HIS A 31 -20.062 -2.437 -2.406 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.215 -1.999 -3.349 1.00 0.00 N ATOM 0 H HIS A 31 -15.727 -1.816 -1.141 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.437 0.256 0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.858 -0.292 0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.160 0.804 -0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -17.532 -0.599 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -20.865 -3.135 -2.589 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.214 -2.257 -4.336 1.00 0.00 H new ATOM 497 N PRO A 32 -17.359 -1.907 2.271 1.00 0.00 N ATOM 498 CA PRO A 32 -18.197 -0.834 2.840 1.00 0.00 C ATOM 499 C PRO A 32 -17.468 0.487 3.045 1.00 0.00 C ATOM 500 O PRO A 32 -17.749 1.454 2.344 1.00 0.00 O ATOM 501 CB PRO A 32 -18.653 -1.398 4.193 1.00 0.00 C ATOM 502 CG PRO A 32 -18.475 -2.868 4.072 1.00 0.00 C ATOM 503 CD PRO A 32 -17.278 -3.054 3.191 1.00 0.00 C ATOM 0 HA PRO A 32 -19.010 -0.588 2.157 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -18.057 -0.994 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.692 -1.141 4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.319 -3.326 5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.359 -3.336 3.638 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.351 -3.047 3.764 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.315 -4.003 2.656 1.00 0.00 H new ATOM 511 N SER A 33 -16.535 0.555 3.989 1.00 0.00 N ATOM 512 CA SER A 33 -15.854 1.804 4.278 1.00 0.00 C ATOM 513 C SER A 33 -14.483 1.507 4.885 1.00 0.00 C ATOM 514 O SER A 33 -13.866 2.367 5.514 1.00 0.00 O ATOM 515 CB SER A 33 -16.694 2.631 5.259 1.00 0.00 C ATOM 516 OG SER A 33 -17.033 1.860 6.402 1.00 0.00 O ATOM 0 H SER A 33 -16.237 -0.235 4.561 1.00 0.00 H new ATOM 0 HA SER A 33 -15.722 2.371 3.356 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.138 3.518 5.564 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.602 2.978 4.766 1.00 0.00 H new ATOM 0 HG SER A 33 -17.567 2.405 7.017 1.00 0.00 H new ATOM 522 N ASP A 34 -14.013 0.279 4.679 1.00 0.00 N ATOM 523 CA ASP A 34 -12.793 -0.188 5.336 1.00 0.00 C ATOM 524 C ASP A 34 -12.159 -1.374 4.603 1.00 0.00 C ATOM 525 O ASP A 34 -12.853 -2.229 4.045 1.00 0.00 O ATOM 526 CB ASP A 34 -13.086 -0.580 6.803 1.00 0.00 C ATOM 527 CG ASP A 34 -13.924 -1.838 6.921 1.00 0.00 C ATOM 528 OD1 ASP A 34 -13.347 -2.932 7.110 1.00 0.00 O ATOM 529 OD2 ASP A 34 -15.163 -1.738 6.838 1.00 0.00 O ATOM 0 H ASP A 34 -14.454 -0.407 4.067 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.082 0.638 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.143 -0.727 7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.603 0.243 7.297 1.00 0.00 H new ATOM 534 N ILE A 35 -10.829 -1.384 4.586 1.00 0.00 N ATOM 535 CA ILE A 35 -10.042 -2.511 4.095 1.00 0.00 C ATOM 536 C ILE A 35 -8.778 -2.607 4.938 1.00 0.00 C ATOM 537 O ILE A 35 -8.351 -1.608 5.522 1.00 0.00 O ATOM 538 CB ILE A 35 -9.628 -2.367 2.606 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.205 -3.733 2.046 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.482 -1.370 2.455 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.277 -3.655 0.847 1.00 0.00 C ATOM 0 H ILE A 35 -10.262 -0.603 4.916 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.663 -3.404 4.172 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.486 -1.995 2.046 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.712 -4.300 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.099 -4.290 1.764 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.209 -1.286 1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.796 -0.395 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.621 -1.716 3.027 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.027 -4.662 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.772 -3.118 0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.365 -3.128 1.127 1.00 0.00 H new ATOM 553 N GLU A 36 -8.190 -3.785 5.030 1.00 0.00 N ATOM 554 CA GLU A 36 -6.950 -3.949 5.764 1.00 0.00 C ATOM 555 C GLU A 36 -5.823 -4.254 4.791 1.00 0.00 C ATOM 556 O GLU A 36 -5.879 -5.234 4.039 1.00 0.00 O ATOM 557 CB GLU A 36 -7.079 -5.086 6.776 1.00 0.00 C ATOM 558 CG GLU A 36 -5.998 -5.081 7.851 1.00 0.00 C ATOM 559 CD GLU A 36 -5.924 -3.764 8.582 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.084 -2.929 8.206 1.00 0.00 O ATOM 561 OE2 GLU A 36 -6.709 -3.562 9.532 1.00 0.00 O ATOM 0 H GLU A 36 -8.550 -4.640 4.607 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.730 -3.026 6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.056 -5.023 7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.046 -6.037 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.196 -5.880 8.566 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.032 -5.295 7.393 1.00 0.00 H new ATOM 568 N VAL A 37 -4.812 -3.412 4.804 1.00 0.00 N ATOM 569 CA VAL A 37 -3.672 -3.565 3.912 1.00 0.00 C ATOM 570 C VAL A 37 -2.375 -3.450 4.700 1.00 0.00 C ATOM 571 O VAL A 37 -2.272 -2.668 5.646 1.00 0.00 O ATOM 572 CB VAL A 37 -3.718 -2.561 2.714 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.791 -1.519 2.938 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.367 -1.888 2.435 1.00 0.00 C ATOM 0 H VAL A 37 -4.752 -2.606 5.427 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.720 -4.561 3.471 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.960 -3.148 1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.809 -0.828 2.095 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.761 -2.009 3.027 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.577 -0.968 3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.468 -1.204 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.048 -1.332 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.624 -2.649 2.197 1.00 0.00 H new ATOM 584 N ASP A 38 -1.411 -4.265 4.323 1.00 0.00 N ATOM 585 CA ASP A 38 -0.148 -4.347 5.030 1.00 0.00 C ATOM 586 C ASP A 38 1.005 -4.296 4.046 1.00 0.00 C ATOM 587 O ASP A 38 0.895 -4.773 2.922 1.00 0.00 O ATOM 588 CB ASP A 38 -0.119 -5.621 5.895 1.00 0.00 C ATOM 589 CG ASP A 38 0.963 -6.621 5.534 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.140 -6.362 5.828 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.614 -7.700 5.011 1.00 0.00 O ATOM 0 H ASP A 38 -1.480 -4.889 3.519 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.041 -3.492 5.697 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.010 -5.330 6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.088 -6.115 5.819 1.00 0.00 H new ATOM 596 N LEU A 39 2.092 -3.673 4.459 1.00 0.00 N ATOM 597 CA LEU A 39 3.247 -3.513 3.595 1.00 0.00 C ATOM 598 C LEU A 39 4.281 -4.582 3.924 1.00 0.00 C ATOM 599 O LEU A 39 4.531 -4.867 5.092 1.00 0.00 O ATOM 600 CB LEU A 39 3.866 -2.124 3.770 1.00 0.00 C ATOM 601 CG LEU A 39 2.899 -0.937 3.700 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.660 0.370 3.883 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.129 -0.920 2.393 1.00 0.00 C ATOM 0 H LEU A 39 2.200 -3.269 5.389 1.00 0.00 H new ATOM 0 HA LEU A 39 2.925 -3.620 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.375 -2.095 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.629 -1.990 3.003 1.00 0.00 H new ATOM 0 HG LEU A 39 2.176 -1.047 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.963 1.207 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.156 0.370 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.406 0.470 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.454 -0.065 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.828 -0.844 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.552 -1.840 2.299 1.00 0.00 H new ATOM 615 N LEU A 40 4.893 -5.153 2.903 1.00 0.00 N ATOM 616 CA LEU A 40 5.825 -6.254 3.095 1.00 0.00 C ATOM 617 C LEU A 40 7.218 -5.879 2.688 1.00 0.00 C ATOM 618 O LEU A 40 7.454 -4.857 2.054 1.00 0.00 O ATOM 619 CB LEU A 40 5.465 -7.463 2.251 1.00 0.00 C ATOM 620 CG LEU A 40 3.994 -7.774 2.105 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.809 -8.781 0.980 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.417 -8.304 3.409 1.00 0.00 C ATOM 0 H LEU A 40 4.763 -4.874 1.931 1.00 0.00 H new ATOM 0 HA LEU A 40 5.768 -6.487 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.883 -7.319 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.957 -8.336 2.680 1.00 0.00 H new ATOM 0 HG LEU A 40 3.456 -6.858 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.749 -9.011 0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.189 -8.360 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.356 -9.694 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.357 -8.520 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.940 -9.217 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.540 -7.556 4.192 1.00 0.00 H new ATOM 634 N LYS A 41 8.130 -6.733 3.078 1.00 0.00 N ATOM 635 CA LYS A 41 9.482 -6.727 2.580 1.00 0.00 C ATOM 636 C LYS A 41 9.872 -8.130 2.205 1.00 0.00 C ATOM 637 O LYS A 41 10.019 -8.991 3.074 1.00 0.00 O ATOM 638 CB LYS A 41 10.456 -6.234 3.622 1.00 0.00 C ATOM 639 CG LYS A 41 10.132 -4.845 4.141 1.00 0.00 C ATOM 640 CD LYS A 41 11.325 -4.252 4.877 1.00 0.00 C ATOM 641 CE LYS A 41 12.543 -4.159 3.961 1.00 0.00 C ATOM 642 NZ LYS A 41 13.731 -3.580 4.642 1.00 0.00 N ATOM 0 H LYS A 41 7.950 -7.466 3.764 1.00 0.00 H new ATOM 0 HA LYS A 41 9.519 -6.059 1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.466 -6.933 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.460 -6.230 3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.853 -4.197 3.310 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.273 -4.893 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 41 11.070 -3.260 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.564 -4.867 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.791 -5.154 3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.294 -3.549 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.402 -3.227 3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.432 -2.795 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.192 -4.313 5.219 1.00 0.00 H new ATOM 656 N ASN A 42 9.997 -8.347 0.917 1.00 0.00 N ATOM 657 CA ASN A 42 10.347 -9.662 0.345 1.00 0.00 C ATOM 658 C ASN A 42 9.237 -10.695 0.544 1.00 0.00 C ATOM 659 O ASN A 42 9.096 -11.632 -0.240 1.00 0.00 O ATOM 660 CB ASN A 42 11.655 -10.190 0.944 1.00 0.00 C ATOM 661 CG ASN A 42 12.775 -10.249 -0.073 1.00 0.00 C ATOM 662 OD1 ASN A 42 12.929 -11.244 -0.781 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.579 -9.198 -0.136 1.00 0.00 N ATOM 0 H ASN A 42 9.861 -7.620 0.215 1.00 0.00 H new ATOM 0 HA ASN A 42 10.476 -9.510 -0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.955 -9.550 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.487 -11.186 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.362 -9.193 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.415 -8.394 0.469 1.00 0.00 H new ATOM 670 N GLY A 43 8.444 -10.502 1.582 1.00 0.00 N ATOM 671 CA GLY A 43 7.403 -11.441 1.921 1.00 0.00 C ATOM 672 C GLY A 43 6.950 -11.292 3.354 1.00 0.00 C ATOM 673 O GLY A 43 5.979 -11.924 3.771 1.00 0.00 O ATOM 0 H GLY A 43 8.506 -9.697 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.552 -11.295 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.764 -12.457 1.759 1.00 0.00 H new ATOM 677 N GLU A 44 7.640 -10.444 4.105 1.00 0.00 N ATOM 678 CA GLU A 44 7.405 -10.314 5.524 1.00 0.00 C ATOM 679 C GLU A 44 6.828 -8.944 5.850 1.00 0.00 C ATOM 680 O GLU A 44 7.255 -7.937 5.288 1.00 0.00 O ATOM 681 CB GLU A 44 8.741 -10.516 6.211 1.00 0.00 C ATOM 682 CG GLU A 44 9.458 -11.757 5.731 1.00 0.00 C ATOM 683 CD GLU A 44 8.876 -13.032 6.306 1.00 0.00 C ATOM 684 OE1 GLU A 44 7.938 -13.596 5.701 1.00 0.00 O ATOM 685 OE2 GLU A 44 9.353 -13.474 7.371 1.00 0.00 O ATOM 0 H GLU A 44 8.373 -9.833 3.744 1.00 0.00 H new ATOM 0 HA GLU A 44 6.680 -11.052 5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.372 -9.645 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.585 -10.584 7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.411 -11.800 4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.512 -11.690 6.002 1.00 0.00 H new ATOM 692 N ARG A 45 5.858 -8.929 6.754 1.00 0.00 N ATOM 693 CA ARG A 45 5.148 -7.712 7.130 1.00 0.00 C ATOM 694 C ARG A 45 6.083 -6.659 7.724 1.00 0.00 C ATOM 695 O ARG A 45 7.001 -6.977 8.484 1.00 0.00 O ATOM 696 CB ARG A 45 4.046 -8.061 8.142 1.00 0.00 C ATOM 697 CG ARG A 45 3.200 -6.866 8.590 1.00 0.00 C ATOM 698 CD ARG A 45 1.989 -7.281 9.430 1.00 0.00 C ATOM 699 NE ARG A 45 1.447 -6.161 10.209 1.00 0.00 N ATOM 700 CZ ARG A 45 0.248 -5.608 10.006 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.509 -6.005 8.992 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.188 -4.645 10.812 1.00 0.00 N ATOM 0 H ARG A 45 5.540 -9.762 7.249 1.00 0.00 H new ATOM 0 HA ARG A 45 4.712 -7.286 6.227 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.389 -8.811 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.506 -8.515 9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.821 -6.183 9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.857 -6.319 7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.212 -7.676 8.775 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.276 -8.087 10.106 1.00 0.00 H new ATOM 0 HE ARG A 45 2.026 -5.779 10.957 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.176 -6.736 8.363 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.424 -5.580 8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.393 -4.327 11.587 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.104 -4.224 10.655 1.00 0.00 H new ATOM 716 N ILE A 46 5.841 -5.408 7.361 1.00 0.00 N ATOM 717 CA ILE A 46 6.529 -4.276 7.942 1.00 0.00 C ATOM 718 C ILE A 46 5.717 -3.786 9.118 1.00 0.00 C ATOM 719 O ILE A 46 4.492 -3.709 9.039 1.00 0.00 O ATOM 720 CB ILE A 46 6.668 -3.107 6.946 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.422 -3.527 5.690 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.370 -1.927 7.612 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.364 -2.480 4.594 1.00 0.00 C ATOM 0 H ILE A 46 5.156 -5.153 6.650 1.00 0.00 H new ATOM 0 HA ILE A 46 7.528 -4.601 8.233 1.00 0.00 H new ATOM 0 HB ILE A 46 5.665 -2.805 6.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.464 -3.723 5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.004 -4.462 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.462 -1.108 6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.788 -1.595 8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.362 -2.233 7.942 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.918 -2.833 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.325 -2.302 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.807 -1.552 4.954 1.00 0.00 H new ATOM 735 N GLU A 47 6.372 -3.450 10.203 1.00 0.00 N ATOM 736 CA GLU A 47 5.663 -3.013 11.397 1.00 0.00 C ATOM 737 C GLU A 47 5.586 -1.496 11.478 1.00 0.00 C ATOM 738 O GLU A 47 4.606 -0.944 11.972 1.00 0.00 O ATOM 739 CB GLU A 47 6.334 -3.579 12.657 1.00 0.00 C ATOM 740 CG GLU A 47 7.760 -4.022 12.465 1.00 0.00 C ATOM 741 CD GLU A 47 8.737 -2.897 12.295 1.00 0.00 C ATOM 742 OE1 GLU A 47 9.003 -2.533 11.135 1.00 0.00 O ATOM 743 OE2 GLU A 47 9.258 -2.390 13.305 1.00 0.00 O ATOM 0 H GLU A 47 7.388 -3.468 10.291 1.00 0.00 H new ATOM 0 HA GLU A 47 4.644 -3.396 11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.306 -2.820 13.439 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.749 -4.427 13.014 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.061 -4.622 13.324 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.813 -4.669 11.589 1.00 0.00 H new ATOM 750 N LYS A 48 6.643 -0.826 11.034 1.00 0.00 N ATOM 751 CA LYS A 48 6.698 0.635 11.024 1.00 0.00 C ATOM 752 C LYS A 48 5.729 1.272 10.027 1.00 0.00 C ATOM 753 O LYS A 48 5.846 2.453 9.695 1.00 0.00 O ATOM 754 CB LYS A 48 8.116 1.075 10.729 1.00 0.00 C ATOM 755 CG LYS A 48 9.101 0.262 11.549 1.00 0.00 C ATOM 756 CD LYS A 48 10.525 0.823 11.569 1.00 0.00 C ATOM 757 CE LYS A 48 11.532 -0.224 12.030 1.00 0.00 C ATOM 758 NZ LYS A 48 11.470 -1.450 11.192 1.00 0.00 N ATOM 0 H LYS A 48 7.484 -1.276 10.672 1.00 0.00 H new ATOM 0 HA LYS A 48 6.386 0.978 12.011 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.328 0.953 9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.230 2.135 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.735 0.197 12.574 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.130 -0.754 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.793 1.173 10.572 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.567 1.687 12.232 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.538 0.195 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.337 -0.484 13.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.326 -2.020 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.631 -2.007 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.409 -1.182 10.189 1.00 0.00 H new ATOM 772 N VAL A 49 4.809 0.475 9.521 1.00 0.00 N ATOM 773 CA VAL A 49 3.735 0.980 8.684 1.00 0.00 C ATOM 774 C VAL A 49 2.716 1.752 9.514 1.00 0.00 C ATOM 775 O VAL A 49 2.293 1.297 10.579 1.00 0.00 O ATOM 776 CB VAL A 49 3.009 -0.159 7.953 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.920 0.396 7.047 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.996 -0.993 7.162 1.00 0.00 C ATOM 0 H VAL A 49 4.783 -0.533 9.676 1.00 0.00 H new ATOM 0 HA VAL A 49 4.192 1.643 7.950 1.00 0.00 H new ATOM 0 HB VAL A 49 2.536 -0.802 8.695 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.417 -0.426 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.196 0.950 7.645 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.366 1.062 6.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.466 -1.796 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.498 -0.363 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.736 -1.421 7.839 1.00 0.00 H new ATOM 788 N GLU A 50 2.333 2.920 9.026 1.00 0.00 N ATOM 789 CA GLU A 50 1.324 3.727 9.678 1.00 0.00 C ATOM 790 C GLU A 50 0.309 4.202 8.650 1.00 0.00 C ATOM 791 O GLU A 50 0.656 4.508 7.508 1.00 0.00 O ATOM 792 CB GLU A 50 1.956 4.927 10.383 1.00 0.00 C ATOM 793 CG GLU A 50 3.072 4.549 11.341 1.00 0.00 C ATOM 794 CD GLU A 50 3.758 5.757 11.939 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.794 6.197 11.395 1.00 0.00 O ATOM 796 OE2 GLU A 50 3.264 6.283 12.954 1.00 0.00 O ATOM 0 H GLU A 50 2.712 3.330 8.172 1.00 0.00 H new ATOM 0 HA GLU A 50 0.823 3.117 10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.349 5.613 9.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.183 5.464 10.932 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.665 3.933 12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.808 3.941 10.814 1.00 0.00 H new ATOM 803 N HIS A 51 -0.937 4.239 9.059 1.00 0.00 N ATOM 804 CA HIS A 51 -2.025 4.669 8.186 1.00 0.00 C ATOM 805 C HIS A 51 -2.565 6.031 8.598 1.00 0.00 C ATOM 806 O HIS A 51 -2.625 6.358 9.785 1.00 0.00 O ATOM 807 CB HIS A 51 -3.166 3.640 8.188 1.00 0.00 C ATOM 808 CG HIS A 51 -3.638 3.225 9.556 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.063 2.389 10.462 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -4.825 3.684 10.066 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -3.908 2.334 11.542 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -4.950 3.126 11.257 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.233 3.975 9.999 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.617 4.749 7.178 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.011 4.054 7.637 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.837 2.752 7.647 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.517 4.363 9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -3.761 1.763 12.447 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -5.742 3.279 11.882 1.00 0.00 H new ATOM 820 N SER A 52 -2.923 6.832 7.603 1.00 0.00 N ATOM 821 CA SER A 52 -3.674 8.054 7.843 1.00 0.00 C ATOM 822 C SER A 52 -5.088 7.678 8.291 1.00 0.00 C ATOM 823 O SER A 52 -5.549 6.568 8.018 1.00 0.00 O ATOM 824 CB SER A 52 -3.733 8.890 6.552 1.00 0.00 C ATOM 825 OG SER A 52 -2.431 9.243 6.110 1.00 0.00 O ATOM 0 H SER A 52 -2.705 6.656 6.622 1.00 0.00 H new ATOM 0 HA SER A 52 -3.188 8.646 8.618 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.244 8.325 5.772 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.318 9.793 6.727 1.00 0.00 H new ATOM 0 HG SER A 52 -2.497 9.772 5.288 1.00 0.00 H new ATOM 973 N PHE A 62 -14.086 5.944 -1.154 1.00 0.00 N ATOM 974 CA PHE A 62 -13.354 6.370 0.024 1.00 0.00 C ATOM 975 C PHE A 62 -11.896 5.980 -0.132 1.00 0.00 C ATOM 976 O PHE A 62 -11.579 4.985 -0.789 1.00 0.00 O ATOM 977 CB PHE A 62 -13.936 5.710 1.279 1.00 0.00 C ATOM 978 CG PHE A 62 -15.427 5.497 1.228 1.00 0.00 C ATOM 979 CD1 PHE A 62 -15.951 4.340 0.667 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.302 6.438 1.753 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.317 4.128 0.625 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.671 6.230 1.712 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.177 5.072 1.151 1.00 0.00 C ATOM 0 HA PHE A 62 -13.439 7.452 0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.447 4.747 1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.698 6.328 2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.283 3.596 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.912 7.341 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.711 3.225 0.181 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.343 6.972 2.118 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.244 4.906 1.124 1.00 0.00 H new ATOM 993 N TYR A 63 -11.008 6.759 0.455 1.00 0.00 N ATOM 994 CA TYR A 63 -9.589 6.501 0.318 1.00 0.00 C ATOM 995 C TYR A 63 -9.003 6.048 1.650 1.00 0.00 C ATOM 996 O TYR A 63 -9.458 6.468 2.712 1.00 0.00 O ATOM 997 CB TYR A 63 -8.869 7.766 -0.169 1.00 0.00 C ATOM 998 CG TYR A 63 -9.553 8.455 -1.333 1.00 0.00 C ATOM 999 CD1 TYR A 63 -9.960 9.779 -1.234 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.796 7.782 -2.525 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.586 10.416 -2.289 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.423 8.411 -3.585 1.00 0.00 C ATOM 1003 CZ TYR A 63 -10.815 9.728 -3.460 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.436 10.359 -4.513 1.00 0.00 O ATOM 0 H TYR A 63 -11.242 7.570 1.027 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.447 5.707 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.790 8.469 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.853 7.503 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.784 10.321 -0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.490 6.751 -2.625 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.894 11.447 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.605 7.875 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.521 9.735 -5.264 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.012 5.175 1.582 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.262 4.779 2.760 1.00 0.00 C ATOM 1016 C LEU A 64 -5.811 4.547 2.373 1.00 0.00 C ATOM 1017 O LEU A 64 -5.516 3.861 1.392 1.00 0.00 O ATOM 1018 CB LEU A 64 -7.918 3.540 3.394 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.116 2.799 4.466 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.032 2.418 5.617 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.482 1.556 3.863 1.00 0.00 C ATOM 0 H LEU A 64 -7.708 4.726 0.718 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.276 5.567 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.867 3.847 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.150 2.834 2.596 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.327 3.449 4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.458 1.890 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.467 3.319 6.049 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.828 1.771 5.249 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.912 1.030 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.262 0.900 3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.817 1.845 3.049 1.00 0.00 H new ATOM 1033 N LEU A 65 -4.912 5.143 3.138 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.504 5.157 2.791 1.00 0.00 C ATOM 1035 C LEU A 65 -2.669 4.433 3.851 1.00 0.00 C ATOM 1036 O LEU A 65 -2.777 4.719 5.043 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.041 6.613 2.649 1.00 0.00 C ATOM 1038 CG LEU A 65 -1.918 6.879 1.638 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.625 8.373 1.544 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.654 6.124 2.004 1.00 0.00 C ATOM 0 H LEU A 65 -5.136 5.626 4.008 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.364 4.632 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.903 7.219 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.710 6.962 3.627 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.258 6.522 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.826 8.542 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.523 8.900 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.317 8.745 2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.122 6.334 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.314 6.441 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.860 5.054 2.018 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.841 3.504 3.396 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.897 2.802 4.263 1.00 0.00 C ATOM 1054 C TYR A 66 0.527 3.057 3.788 1.00 0.00 C ATOM 1055 O TYR A 66 0.902 2.672 2.683 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.192 1.298 4.297 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.113 0.852 5.419 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -3.482 0.714 5.221 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -1.600 0.530 6.673 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -4.308 0.278 6.237 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -2.426 0.095 7.694 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.775 -0.030 7.470 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.594 -0.455 8.488 1.00 0.00 O ATOM 0 H TYR A 66 -1.802 3.214 2.419 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.008 3.185 5.277 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.637 1.008 3.345 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.248 0.759 4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.906 0.952 4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.539 0.621 6.852 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.370 0.178 6.066 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.012 -0.145 8.662 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.810 -1.402 8.360 1.00 0.00 H new ATOM 1073 N TYR A 67 1.313 3.725 4.619 1.00 0.00 N ATOM 1074 CA TYR A 67 2.665 4.115 4.240 1.00 0.00 C ATOM 1075 C TYR A 67 3.665 3.794 5.338 1.00 0.00 C ATOM 1076 O TYR A 67 3.289 3.507 6.474 1.00 0.00 O ATOM 1077 CB TYR A 67 2.713 5.615 3.904 1.00 0.00 C ATOM 1078 CG TYR A 67 2.308 6.535 5.041 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.249 7.004 5.951 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.989 6.947 5.195 1.00 0.00 C ATOM 1081 CE1 TYR A 67 2.887 7.853 6.980 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.619 7.797 6.221 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.572 8.245 7.111 1.00 0.00 C ATOM 1084 OH TYR A 67 1.211 9.093 8.133 1.00 0.00 O ATOM 0 H TYR A 67 1.039 4.009 5.560 1.00 0.00 H new ATOM 0 HA TYR A 67 2.941 3.541 3.356 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.725 5.871 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.059 5.803 3.052 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.281 6.700 5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.240 6.597 4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.631 8.208 7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.410 8.108 6.325 1.00 0.00 H new ATOM 0 HH TYR A 67 0.249 9.273 8.084 1.00 0.00 H new ATOM 1094 N THR A 68 4.941 3.836 4.986 1.00 0.00 N ATOM 1095 CA THR A 68 6.006 3.606 5.944 1.00 0.00 C ATOM 1096 C THR A 68 7.288 4.289 5.478 1.00 0.00 C ATOM 1097 O THR A 68 7.556 4.392 4.275 1.00 0.00 O ATOM 1098 CB THR A 68 6.256 2.092 6.163 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.168 1.894 7.249 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.806 1.423 4.906 1.00 0.00 C ATOM 0 H THR A 68 5.263 4.029 4.038 1.00 0.00 H new ATOM 0 HA THR A 68 5.697 4.034 6.897 1.00 0.00 H new ATOM 0 HB THR A 68 5.296 1.633 6.400 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.078 0.979 7.589 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.968 0.363 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.092 1.538 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.751 1.890 4.629 1.00 0.00 H new ATOM 1108 N GLU A 69 8.044 4.798 6.439 1.00 0.00 N ATOM 1109 CA GLU A 69 9.337 5.394 6.165 1.00 0.00 C ATOM 1110 C GLU A 69 10.383 4.291 6.072 1.00 0.00 C ATOM 1111 O GLU A 69 10.500 3.461 6.974 1.00 0.00 O ATOM 1112 CB GLU A 69 9.703 6.383 7.273 1.00 0.00 C ATOM 1113 CG GLU A 69 10.927 7.231 6.969 1.00 0.00 C ATOM 1114 CD GLU A 69 11.402 8.002 8.177 1.00 0.00 C ATOM 1115 OE1 GLU A 69 12.247 7.472 8.924 1.00 0.00 O ATOM 1116 OE2 GLU A 69 10.929 9.133 8.395 1.00 0.00 O ATOM 0 H GLU A 69 7.778 4.808 7.424 1.00 0.00 H new ATOM 0 HA GLU A 69 9.299 5.936 5.220 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.853 7.042 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.878 5.830 8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.732 6.589 6.611 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.693 7.928 6.164 1.00 0.00 H new ATOM 1123 N PHE A 70 11.137 4.288 4.992 1.00 0.00 N ATOM 1124 CA PHE A 70 12.065 3.203 4.710 1.00 0.00 C ATOM 1125 C PHE A 70 13.320 3.758 4.055 1.00 0.00 C ATOM 1126 O PHE A 70 13.313 4.878 3.545 1.00 0.00 O ATOM 1127 CB PHE A 70 11.406 2.118 3.833 1.00 0.00 C ATOM 1128 CG PHE A 70 10.981 2.560 2.453 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.595 3.862 2.200 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.957 1.651 1.411 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.197 4.250 0.940 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.557 2.026 0.144 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.176 3.333 -0.095 1.00 0.00 C ATOM 0 H PHE A 70 11.128 5.027 4.289 1.00 0.00 H new ATOM 0 HA PHE A 70 12.344 2.728 5.650 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.104 1.287 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.531 1.735 4.358 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.605 4.586 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.257 0.629 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 70 9.901 5.273 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.542 1.301 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.864 3.636 -1.084 1.00 0.00 H new ATOM 1143 N THR A 71 14.390 2.994 4.091 1.00 0.00 N ATOM 1144 CA THR A 71 15.622 3.366 3.424 1.00 0.00 C ATOM 1145 C THR A 71 15.990 2.287 2.401 1.00 0.00 C ATOM 1146 O THR A 71 16.754 1.368 2.707 1.00 0.00 O ATOM 1147 CB THR A 71 16.762 3.557 4.449 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.345 4.495 5.457 1.00 0.00 O ATOM 1149 CG2 THR A 71 18.038 4.064 3.784 1.00 0.00 C ATOM 0 H THR A 71 14.432 2.100 4.581 1.00 0.00 H new ATOM 0 HA THR A 71 15.477 4.315 2.908 1.00 0.00 H new ATOM 0 HB THR A 71 16.978 2.588 4.898 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.066 4.616 6.109 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.817 4.186 4.537 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.368 3.345 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.842 5.024 3.306 1.00 0.00 H new ATOM 1157 N PRO A 72 15.402 2.370 1.185 1.00 0.00 N ATOM 1158 CA PRO A 72 15.605 1.382 0.116 1.00 0.00 C ATOM 1159 C PRO A 72 17.067 1.102 -0.176 1.00 0.00 C ATOM 1160 O PRO A 72 17.926 1.978 -0.038 1.00 0.00 O ATOM 1161 CB PRO A 72 14.944 2.022 -1.119 1.00 0.00 C ATOM 1162 CG PRO A 72 14.643 3.433 -0.728 1.00 0.00 C ATOM 1163 CD PRO A 72 14.473 3.425 0.761 1.00 0.00 C ATOM 0 HA PRO A 72 15.182 0.419 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.609 1.988 -1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 72 14.034 1.490 -1.397 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.452 4.100 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.739 3.790 -1.221 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.726 4.389 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.446 3.201 1.050 1.00 0.00 H new ATOM 1171 N THR A 73 17.327 -0.126 -0.598 1.00 0.00 N ATOM 1172 CA THR A 73 18.660 -0.571 -0.937 1.00 0.00 C ATOM 1173 C THR A 73 18.602 -1.402 -2.214 1.00 0.00 C ATOM 1174 O THR A 73 17.517 -1.684 -2.721 1.00 0.00 O ATOM 1175 CB THR A 73 19.289 -1.424 0.192 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.590 -2.666 0.316 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.241 -0.696 1.530 1.00 0.00 C ATOM 0 H THR A 73 16.611 -0.843 -0.714 1.00 0.00 H new ATOM 0 HA THR A 73 19.282 0.313 -1.078 1.00 0.00 H new ATOM 0 HB THR A 73 20.331 -1.604 -0.073 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.644 -2.532 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.690 -1.322 2.301 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.794 0.240 1.455 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.204 -0.485 1.792 1.00 0.00 H new ATOM 1185 N GLU A 74 19.750 -1.772 -2.746 1.00 0.00 N ATOM 1186 CA GLU A 74 19.801 -2.677 -3.887 1.00 0.00 C ATOM 1187 C GLU A 74 19.142 -4.013 -3.532 1.00 0.00 C ATOM 1188 O GLU A 74 18.318 -4.538 -4.278 1.00 0.00 O ATOM 1189 CB GLU A 74 21.261 -2.919 -4.275 1.00 0.00 C ATOM 1190 CG GLU A 74 21.492 -3.289 -5.736 1.00 0.00 C ATOM 1191 CD GLU A 74 20.616 -4.422 -6.250 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.909 -5.598 -5.954 1.00 0.00 O ATOM 1193 OE2 GLU A 74 19.632 -4.137 -6.967 1.00 0.00 O ATOM 0 H GLU A 74 20.662 -1.463 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 74 19.264 -2.228 -4.722 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.834 -2.019 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.660 -3.716 -3.648 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.320 -2.406 -6.352 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.538 -3.569 -5.865 1.00 0.00 H new ATOM 1200 N LYS A 75 19.486 -4.518 -2.360 1.00 0.00 N ATOM 1201 CA LYS A 75 19.241 -5.896 -2.005 1.00 0.00 C ATOM 1202 C LYS A 75 17.848 -6.126 -1.440 1.00 0.00 C ATOM 1203 O LYS A 75 17.296 -7.214 -1.592 1.00 0.00 O ATOM 1204 CB LYS A 75 20.283 -6.339 -0.981 1.00 0.00 C ATOM 1205 CG LYS A 75 21.722 -6.276 -1.490 1.00 0.00 C ATOM 1206 CD LYS A 75 22.558 -5.267 -0.710 1.00 0.00 C ATOM 1207 CE LYS A 75 23.994 -5.222 -1.218 1.00 0.00 C ATOM 1208 NZ LYS A 75 24.689 -6.514 -0.989 1.00 0.00 N ATOM 0 H LYS A 75 19.945 -3.977 -1.627 1.00 0.00 H new ATOM 0 HA LYS A 75 19.314 -6.485 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.195 -5.712 -0.094 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.062 -7.361 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.178 -7.263 -1.412 1.00 0.00 H new ATOM 0 HG3 LYS A 75 21.722 -6.008 -2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.109 -4.277 -0.795 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.553 -5.529 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.998 -4.988 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 75 24.535 -4.421 -0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 25.709 -6.394 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 24.531 -6.824 -0.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.315 -7.230 -1.644 1.00 0.00 H new ATOM 1222 N ASP A 76 17.265 -5.130 -0.788 1.00 0.00 N ATOM 1223 CA ASP A 76 15.992 -5.366 -0.122 1.00 0.00 C ATOM 1224 C ASP A 76 14.814 -4.925 -0.992 1.00 0.00 C ATOM 1225 O ASP A 76 14.982 -4.198 -1.973 1.00 0.00 O ATOM 1226 CB ASP A 76 15.951 -4.718 1.277 1.00 0.00 C ATOM 1227 CG ASP A 76 15.696 -3.225 1.312 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.050 -2.511 0.353 1.00 0.00 O ATOM 1229 OD2 ASP A 76 15.155 -2.762 2.344 1.00 0.00 O ATOM 0 H ASP A 76 17.636 -4.183 -0.706 1.00 0.00 H new ATOM 0 HA ASP A 76 15.896 -6.442 0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.175 -5.212 1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 76 16.900 -4.916 1.775 1.00 0.00 H new ATOM 1234 N GLU A 77 13.625 -5.389 -0.638 1.00 0.00 N ATOM 1235 CA GLU A 77 12.460 -5.227 -1.497 1.00 0.00 C ATOM 1236 C GLU A 77 11.212 -5.117 -0.651 1.00 0.00 C ATOM 1237 O GLU A 77 11.113 -5.761 0.389 1.00 0.00 O ATOM 1238 CB GLU A 77 12.365 -6.426 -2.454 1.00 0.00 C ATOM 1239 CG GLU A 77 11.041 -6.570 -3.217 1.00 0.00 C ATOM 1240 CD GLU A 77 11.230 -7.223 -4.571 1.00 0.00 C ATOM 1241 OE1 GLU A 77 11.713 -8.373 -4.617 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.865 -6.606 -5.590 1.00 0.00 O ATOM 0 H GLU A 77 13.441 -5.880 0.237 1.00 0.00 H new ATOM 0 HA GLU A 77 12.558 -4.314 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.175 -6.352 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.533 -7.338 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.344 -7.162 -2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.591 -5.586 -3.349 1.00 0.00 H new ATOM 1249 N TYR A 78 10.261 -4.303 -1.080 1.00 0.00 N ATOM 1250 CA TYR A 78 9.052 -4.099 -0.314 1.00 0.00 C ATOM 1251 C TYR A 78 7.831 -4.336 -1.184 1.00 0.00 C ATOM 1252 O TYR A 78 7.871 -4.151 -2.400 1.00 0.00 O ATOM 1253 CB TYR A 78 9.002 -2.689 0.323 1.00 0.00 C ATOM 1254 CG TYR A 78 10.342 -2.128 0.778 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.584 -1.874 2.123 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.356 -1.836 -0.131 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.792 -1.352 2.547 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.566 -1.320 0.289 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.777 -1.081 1.626 1.00 0.00 C ATOM 1260 OH TYR A 78 13.971 -0.549 2.046 1.00 0.00 O ATOM 0 H TYR A 78 10.307 -3.776 -1.952 1.00 0.00 H new ATOM 0 HA TYR A 78 9.053 -4.822 0.501 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.565 -1.999 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.331 -2.721 1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.815 -2.088 2.850 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.193 -2.016 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.961 -1.158 3.596 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.343 -1.105 -0.430 1.00 0.00 H new ATOM 0 HH TYR A 78 14.485 -1.234 2.522 1.00 0.00 H new ATOM 1270 N ALA A 79 6.757 -4.772 -0.552 1.00 0.00 N ATOM 1271 CA ALA A 79 5.545 -5.160 -1.265 1.00 0.00 C ATOM 1272 C ALA A 79 4.296 -4.642 -0.557 1.00 0.00 C ATOM 1273 O ALA A 79 4.364 -4.212 0.584 1.00 0.00 O ATOM 1274 CB ALA A 79 5.495 -6.674 -1.406 1.00 0.00 C ATOM 0 H ALA A 79 6.696 -4.868 0.462 1.00 0.00 H new ATOM 0 HA ALA A 79 5.568 -4.710 -2.258 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.588 -6.960 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.367 -7.017 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.494 -7.132 -0.417 1.00 0.00 H new ATOM 1280 N CYS A 80 3.177 -4.630 -1.258 1.00 0.00 N ATOM 1281 CA CYS A 80 1.902 -4.228 -0.673 1.00 0.00 C ATOM 1282 C CYS A 80 0.931 -5.412 -0.631 1.00 0.00 C ATOM 1283 O CYS A 80 0.761 -6.116 -1.626 1.00 0.00 O ATOM 1284 CB CYS A 80 1.291 -3.086 -1.486 1.00 0.00 C ATOM 1285 SG CYS A 80 1.701 -1.423 -0.872 1.00 0.00 S ATOM 0 H CYS A 80 3.121 -4.896 -2.241 1.00 0.00 H new ATOM 0 HA CYS A 80 2.082 -3.888 0.347 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.627 -3.172 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.207 -3.201 -1.493 1.00 0.00 H new ATOM 1290 N ARG A 81 0.308 -5.624 0.523 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.668 -6.700 0.709 1.00 0.00 C ATOM 1292 C ARG A 81 -2.019 -6.116 1.101 1.00 0.00 C ATOM 1293 O ARG A 81 -2.081 -5.214 1.926 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.213 -7.625 1.837 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.988 -8.941 1.944 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.614 -9.708 3.215 1.00 0.00 C ATOM 1297 NE ARG A 81 -1.766 -10.297 3.889 1.00 0.00 N ATOM 1298 CZ ARG A 81 -1.913 -10.287 5.211 1.00 0.00 C ATOM 1299 NH1 ARG A 81 -1.072 -9.592 5.970 1.00 0.00 N ATOM 1300 NH2 ARG A 81 -2.919 -10.937 5.774 1.00 0.00 N ATOM 0 H ARG A 81 0.463 -5.057 1.357 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.751 -7.253 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.844 -7.853 1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.301 -7.091 2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.058 -8.736 1.943 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.781 -9.559 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.093 -10.498 2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.104 -9.033 3.903 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.491 -10.736 3.321 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.312 -9.065 5.539 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.186 -9.585 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -3.585 -11.448 5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -3.029 -10.927 6.788 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.098 -6.618 0.521 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.435 -6.219 0.965 1.00 0.00 C ATOM 1316 C VAL A 82 -5.330 -7.433 1.120 1.00 0.00 C ATOM 1317 O VAL A 82 -5.213 -8.415 0.384 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.121 -5.197 0.031 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.119 -4.205 -0.488 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.863 -5.870 -1.108 1.00 0.00 C ATOM 0 H VAL A 82 -3.082 -7.291 -0.245 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.290 -5.727 1.927 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.866 -4.664 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.619 -3.492 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.667 -3.672 0.349 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.343 -4.729 -1.046 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.329 -5.112 -1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.162 -6.455 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.632 -6.528 -0.703 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.186 -7.366 2.112 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.135 -8.433 2.389 1.00 0.00 C ATOM 1332 C ASN A 83 -8.563 -7.929 2.241 1.00 0.00 C ATOM 1333 O ASN A 83 -8.964 -7.001 2.943 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.941 -8.953 3.824 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.502 -9.325 4.142 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.131 -10.494 4.116 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.674 -8.329 4.427 1.00 0.00 N ATOM 0 H ASN A 83 -6.249 -6.574 2.752 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.958 -9.237 1.675 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.275 -8.190 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.576 -9.826 3.975 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.694 -8.524 4.634 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.017 -7.368 4.440 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.329 -8.508 1.321 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.741 -8.211 1.222 1.00 0.00 C ATOM 1346 C HIS A 84 -11.470 -9.481 0.808 1.00 0.00 C ATOM 1347 O HIS A 84 -10.859 -10.398 0.252 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.981 -7.105 0.195 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.279 -6.374 0.380 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.358 -6.632 -0.428 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.612 -5.399 1.270 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.317 -5.818 -0.021 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.913 -5.054 1.003 1.00 0.00 N ATOM 0 H HIS A 84 -8.989 -9.184 0.637 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.115 -7.863 2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.161 -6.389 0.249 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.959 -7.540 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.977 -4.979 2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.303 -5.774 -0.459 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.467 -4.350 1.491 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.765 -9.529 1.071 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.569 -10.711 0.772 1.00 0.00 C ATOM 1363 C VAL A 85 -13.653 -10.958 -0.730 1.00 0.00 C ATOM 1364 O VAL A 85 -13.913 -12.075 -1.170 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.003 -10.593 1.343 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.970 -10.423 2.853 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.762 -9.445 0.691 1.00 0.00 C ATOM 0 H VAL A 85 -13.288 -8.761 1.493 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.068 -11.552 1.251 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.530 -11.519 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.989 -10.342 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.482 -11.286 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.416 -9.519 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.766 -9.387 1.112 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.236 -8.509 0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.829 -9.617 -0.383 1.00 0.00 H new ATOM 1377 N THR A 86 -13.435 -9.909 -1.512 1.00 0.00 N ATOM 1378 CA THR A 86 -13.568 -9.990 -2.955 1.00 0.00 C ATOM 1379 C THR A 86 -12.440 -10.795 -3.584 1.00 0.00 C ATOM 1380 O THR A 86 -12.666 -11.637 -4.455 1.00 0.00 O ATOM 1381 CB THR A 86 -13.556 -8.582 -3.561 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.412 -7.869 -3.078 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.806 -7.807 -3.199 1.00 0.00 C ATOM 0 H THR A 86 -13.164 -8.989 -1.166 1.00 0.00 H new ATOM 0 HA THR A 86 -14.513 -10.491 -3.164 1.00 0.00 H new ATOM 0 HB THR A 86 -13.518 -8.684 -4.646 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.641 -7.412 -2.242 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.761 -6.814 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.683 -8.335 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.875 -7.714 -2.115 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.227 -10.517 -3.138 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.044 -11.141 -3.704 1.00 0.00 C ATOM 1393 C LEU A 87 -10.016 -12.626 -3.386 1.00 0.00 C ATOM 1394 O LEU A 87 -9.370 -13.400 -4.087 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.773 -10.462 -3.178 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.585 -9.006 -3.615 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.260 -8.457 -3.109 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.663 -8.896 -5.128 1.00 0.00 C ATOM 0 H LEU A 87 -11.035 -9.860 -2.382 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.081 -11.020 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.784 -10.499 -2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.909 -11.038 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.388 -8.411 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.148 -7.422 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.239 -8.502 -2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.441 -9.053 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.528 -7.856 -5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.880 -9.506 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.637 -9.247 -5.469 1.00 0.00 H new ATOM 1410 N SER A 88 -10.726 -12.993 -2.313 1.00 0.00 N ATOM 1411 CA SER A 88 -10.801 -14.363 -1.781 1.00 0.00 C ATOM 1412 C SER A 88 -9.449 -14.829 -1.236 1.00 0.00 C ATOM 1413 O SER A 88 -9.388 -15.682 -0.351 1.00 0.00 O ATOM 1414 CB SER A 88 -11.371 -15.366 -2.808 1.00 0.00 C ATOM 1415 OG SER A 88 -10.456 -15.671 -3.851 1.00 0.00 O ATOM 0 H SER A 88 -11.281 -12.328 -1.774 1.00 0.00 H new ATOM 0 HA SER A 88 -11.504 -14.335 -0.948 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.648 -16.286 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.283 -14.956 -3.241 1.00 0.00 H new ATOM 0 HG SER A 88 -9.841 -14.919 -3.977 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.378 -14.224 -1.732 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.024 -14.527 -1.323 1.00 0.00 C ATOM 1423 C GLN A 89 -6.296 -13.193 -1.336 1.00 0.00 C ATOM 1424 O GLN A 89 -6.324 -12.507 -2.359 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.322 -15.477 -2.311 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.237 -16.472 -3.016 1.00 0.00 C ATOM 1427 CD GLN A 89 -7.800 -17.544 -2.100 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -7.171 -17.946 -1.122 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -9.000 -18.011 -2.415 1.00 0.00 N ATOM 0 H GLN A 89 -8.433 -13.495 -2.444 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.023 -15.018 -0.350 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.812 -14.878 -3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.554 -16.032 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.063 -15.929 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.683 -16.951 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.488 -17.651 -3.235 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.435 -18.731 -1.838 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.694 -12.768 -0.216 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.003 -11.471 -0.138 1.00 0.00 C ATOM 1440 C PRO A 90 -4.081 -11.219 -1.320 1.00 0.00 C ATOM 1441 O PRO A 90 -3.467 -12.144 -1.858 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.203 -11.587 1.149 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.048 -12.458 2.005 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.642 -13.492 1.073 1.00 0.00 C ATOM 0 HA PRO A 90 -5.703 -10.636 -0.155 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.222 -12.027 0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.037 -10.612 1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.456 -12.931 2.789 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.830 -11.882 2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.022 -14.387 1.011 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.632 -13.812 1.399 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.949 -9.959 -1.681 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.267 -9.594 -2.899 1.00 0.00 C ATOM 1454 C LYS A 91 -1.938 -8.957 -2.570 1.00 0.00 C ATOM 1455 O LYS A 91 -1.871 -8.060 -1.729 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.098 -8.616 -3.719 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.490 -8.337 -5.075 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.493 -9.587 -5.930 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.888 -9.923 -6.439 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.934 -11.250 -7.110 1.00 0.00 N ATOM 0 H LYS A 91 -4.308 -9.170 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.113 -10.500 -3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.102 -9.018 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.199 -7.680 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.051 -7.547 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.469 -7.976 -4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.821 -9.449 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.107 -10.425 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.590 -9.914 -5.605 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.214 -9.152 -7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.902 -11.438 -7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.284 -11.251 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.648 -11.989 -6.437 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.888 -9.430 -3.205 1.00 0.00 N ATOM 1475 CA ILE A 92 0.422 -8.831 -3.037 1.00 0.00 C ATOM 1476 C ILE A 92 0.895 -8.221 -4.341 1.00 0.00 C ATOM 1477 O ILE A 92 0.892 -8.869 -5.388 1.00 0.00 O ATOM 1478 CB ILE A 92 1.498 -9.829 -2.552 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.165 -10.377 -1.160 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.873 -9.171 -2.540 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.172 -11.516 -1.163 1.00 0.00 C ATOM 0 H ILE A 92 -0.913 -10.226 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 92 0.300 -8.069 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 92 1.511 -10.665 -3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.086 -10.714 -0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.769 -9.566 -0.548 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.617 -9.889 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.127 -8.840 -3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.860 -8.312 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.008 -11.845 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.765 -11.180 -1.606 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.572 -12.346 -1.745 1.00 0.00 H new ATOM 1493 N VAL A 93 1.290 -6.972 -4.265 1.00 0.00 N ATOM 1494 CA VAL A 93 1.912 -6.294 -5.379 1.00 0.00 C ATOM 1495 C VAL A 93 3.230 -5.703 -4.913 1.00 0.00 C ATOM 1496 O VAL A 93 3.282 -4.981 -3.919 1.00 0.00 O ATOM 1497 CB VAL A 93 1.004 -5.194 -5.975 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.726 -4.426 -7.074 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.276 -5.810 -6.517 1.00 0.00 C ATOM 0 H VAL A 93 1.189 -6.396 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 93 2.084 -7.019 -6.174 1.00 0.00 H new ATOM 0 HB VAL A 93 0.752 -4.492 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.065 -3.658 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.620 -3.956 -6.663 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.011 -5.113 -7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.908 -5.027 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.031 -6.532 -7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.808 -6.314 -5.710 1.00 0.00 H new ATOM 1509 N LYS A 94 4.289 -6.031 -5.622 1.00 0.00 N ATOM 1510 CA LYS A 94 5.620 -5.607 -5.226 1.00 0.00 C ATOM 1511 C LYS A 94 5.905 -4.198 -5.713 1.00 0.00 C ATOM 1512 O LYS A 94 5.448 -3.795 -6.782 1.00 0.00 O ATOM 1513 CB LYS A 94 6.685 -6.562 -5.744 1.00 0.00 C ATOM 1514 CG LYS A 94 6.838 -7.833 -4.921 1.00 0.00 C ATOM 1515 CD LYS A 94 8.097 -8.584 -5.334 1.00 0.00 C ATOM 1516 CE LYS A 94 8.607 -9.525 -4.247 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.836 -10.235 -4.679 1.00 0.00 N ATOM 0 H LYS A 94 4.257 -6.589 -6.475 1.00 0.00 H new ATOM 0 HA LYS A 94 5.654 -5.617 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.443 -6.835 -6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.642 -6.042 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.887 -7.584 -3.861 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.965 -8.471 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.892 -9.158 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.878 -7.866 -5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.813 -8.957 -3.339 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.833 -10.252 -4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.932 -11.121 -4.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.774 -10.450 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.665 -9.633 -4.503 1.00 0.00 H new ATOM 1531 N TRP A 95 6.650 -3.451 -4.916 1.00 0.00 N ATOM 1532 CA TRP A 95 6.991 -2.083 -5.247 1.00 0.00 C ATOM 1533 C TRP A 95 8.128 -2.061 -6.260 1.00 0.00 C ATOM 1534 O TRP A 95 9.193 -2.638 -6.031 1.00 0.00 O ATOM 1535 CB TRP A 95 7.389 -1.313 -3.980 1.00 0.00 C ATOM 1536 CG TRP A 95 7.785 0.101 -4.255 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.967 1.119 -4.643 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.101 0.651 -4.168 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.695 2.268 -4.810 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.008 2.008 -4.522 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.351 0.126 -3.824 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.113 2.848 -4.544 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.451 0.960 -3.845 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.324 2.312 -4.203 1.00 0.00 C ATOM 0 H TRP A 95 7.032 -3.775 -4.028 1.00 0.00 H new ATOM 0 HA TRP A 95 6.119 -1.598 -5.687 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.554 -1.321 -3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.217 -1.828 -3.494 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.901 1.033 -4.796 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.320 3.170 -5.102 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.454 -0.913 -3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.020 3.888 -4.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.422 0.567 -3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.201 2.942 -4.209 1.00 0.00 H new