USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 817 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 74 SER OG : rot 130:sc= -0.531 USER MOD Set 1.2: A 76 HIS : no HD1:sc= -0.842 K(o=-1.4,f=-3.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0014 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -9.17! C(o=-9.2!,f=-10!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -103:sc= -1.19 (180deg=-2.49!) USER MOD Single : A 48 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-5.3!) USER MOD Single : A 49 TYR OH : rot 150:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -4.62! C(o=-4.6!,f=-15!) USER MOD Single : A 52 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.1!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -18:sc= 0.226 USER MOD Single : A 61 GLN : amide:sc= -0.425 K(o=-0.42,f=-1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 167:sc= -4.26 (180deg=-4.69) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -4.13! C(o=-4.1!,f=-5.1!) USER MOD Single : A 93 THR OG1 : rot 48:sc= 0.668 USER MOD Single : A 94 ASN :FLIP amide:sc= 0.121 F(o=-1.6!,f=0.12) USER MOD Single : A 98 SER OG : rot 12:sc= 0.583 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.503 18.752 -24.779 1.00 0.00 N ATOM 2 CA GLY A 1 9.214 19.679 -23.919 1.00 0.00 C ATOM 3 C GLY A 1 8.294 20.703 -23.285 1.00 0.00 C ATOM 4 O GLY A 1 8.514 21.908 -23.410 1.00 0.00 O ATOM 0 H1 GLY A 1 9.176 18.072 -25.188 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.789 18.240 -24.222 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.034 19.278 -25.544 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.728 19.122 -23.135 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.980 20.193 -24.499 1.00 0.00 H new ATOM 8 N SER A 2 7.258 20.225 -22.602 1.00 0.00 N ATOM 9 CA SER A 2 6.298 21.107 -21.951 1.00 0.00 C ATOM 10 C SER A 2 6.400 20.996 -20.433 1.00 0.00 C ATOM 11 O SER A 2 6.906 20.005 -19.905 1.00 0.00 O ATOM 12 CB SER A 2 4.876 20.772 -22.403 1.00 0.00 C ATOM 13 OG SER A 2 4.723 20.974 -23.798 1.00 0.00 O ATOM 0 H SER A 2 7.063 19.231 -22.486 1.00 0.00 H new ATOM 0 HA SER A 2 6.531 22.132 -22.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.647 19.736 -22.155 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.163 21.394 -21.862 1.00 0.00 H new ATOM 0 HG SER A 2 3.806 20.751 -24.062 1.00 0.00 H new ATOM 19 N SER A 3 5.916 22.019 -19.736 1.00 0.00 N ATOM 20 CA SER A 3 5.956 22.039 -18.279 1.00 0.00 C ATOM 21 C SER A 3 5.657 20.656 -17.708 1.00 0.00 C ATOM 22 O SER A 3 6.394 20.148 -16.864 1.00 0.00 O ATOM 23 CB SER A 3 4.951 23.056 -17.734 1.00 0.00 C ATOM 24 OG SER A 3 5.325 23.499 -16.441 1.00 0.00 O ATOM 0 H SER A 3 5.491 22.845 -20.157 1.00 0.00 H new ATOM 0 HA SER A 3 6.960 22.331 -17.972 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.889 23.909 -18.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.959 22.607 -17.695 1.00 0.00 H new ATOM 0 HG SER A 3 4.668 24.149 -16.115 1.00 0.00 H new ATOM 30 N GLY A 4 4.570 20.052 -18.177 1.00 0.00 N ATOM 31 CA GLY A 4 4.191 18.733 -17.703 1.00 0.00 C ATOM 32 C GLY A 4 2.695 18.597 -17.500 1.00 0.00 C ATOM 33 O GLY A 4 1.929 19.491 -17.861 1.00 0.00 O ATOM 0 H GLY A 4 3.945 20.452 -18.877 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.527 17.983 -18.419 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.702 18.528 -16.762 1.00 0.00 H new ATOM 37 N SER A 5 2.277 17.476 -16.923 1.00 0.00 N ATOM 38 CA SER A 5 0.862 17.223 -16.678 1.00 0.00 C ATOM 39 C SER A 5 0.635 16.745 -15.247 1.00 0.00 C ATOM 40 O SER A 5 1.288 15.811 -14.782 1.00 0.00 O ATOM 41 CB SER A 5 0.329 16.183 -17.665 1.00 0.00 C ATOM 42 OG SER A 5 0.722 14.875 -17.289 1.00 0.00 O ATOM 0 H SER A 5 2.898 16.728 -16.616 1.00 0.00 H new ATOM 0 HA SER A 5 0.322 18.159 -16.820 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.759 16.241 -17.707 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.699 16.404 -18.666 1.00 0.00 H new ATOM 0 HG SER A 5 0.367 14.229 -17.935 1.00 0.00 H new ATOM 48 N SER A 6 -0.296 17.393 -14.554 1.00 0.00 N ATOM 49 CA SER A 6 -0.607 17.038 -13.174 1.00 0.00 C ATOM 50 C SER A 6 -1.563 15.851 -13.121 1.00 0.00 C ATOM 51 O SER A 6 -2.098 15.424 -14.144 1.00 0.00 O ATOM 52 CB SER A 6 -1.221 18.234 -12.444 1.00 0.00 C ATOM 53 OG SER A 6 -2.529 18.504 -12.917 1.00 0.00 O ATOM 0 H SER A 6 -0.848 18.166 -14.925 1.00 0.00 H new ATOM 0 HA SER A 6 0.322 16.757 -12.679 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.253 18.033 -11.373 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.591 19.112 -12.585 1.00 0.00 H new ATOM 0 HG SER A 6 -2.900 19.271 -12.433 1.00 0.00 H new ATOM 59 N GLY A 7 -1.773 15.320 -11.920 1.00 0.00 N ATOM 60 CA GLY A 7 -2.664 14.187 -11.755 1.00 0.00 C ATOM 61 C GLY A 7 -1.950 12.962 -11.216 1.00 0.00 C ATOM 62 O GLY A 7 -1.625 12.044 -11.969 1.00 0.00 O ATOM 0 H GLY A 7 -1.342 15.655 -11.058 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.473 14.460 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.121 13.945 -12.715 1.00 0.00 H new ATOM 66 N ASP A 8 -1.705 12.949 -9.911 1.00 0.00 N ATOM 67 CA ASP A 8 -1.024 11.829 -9.272 1.00 0.00 C ATOM 68 C ASP A 8 -1.900 11.208 -8.189 1.00 0.00 C ATOM 69 O ASP A 8 -2.933 11.764 -7.816 1.00 0.00 O ATOM 70 CB ASP A 8 0.305 12.288 -8.670 1.00 0.00 C ATOM 71 CG ASP A 8 1.082 13.192 -9.605 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.710 12.670 -10.550 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.064 14.423 -9.393 1.00 0.00 O ATOM 0 H ASP A 8 -1.968 13.701 -9.274 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.827 11.074 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.114 12.815 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.911 11.415 -8.426 1.00 0.00 H new ATOM 78 N VAL A 9 -1.482 10.050 -7.688 1.00 0.00 N ATOM 79 CA VAL A 9 -2.228 9.352 -6.647 1.00 0.00 C ATOM 80 C VAL A 9 -1.487 9.399 -5.315 1.00 0.00 C ATOM 81 O VAL A 9 -0.528 8.658 -5.100 1.00 0.00 O ATOM 82 CB VAL A 9 -2.483 7.882 -7.029 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.230 7.163 -5.916 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.252 7.798 -8.339 1.00 0.00 C ATOM 0 H VAL A 9 -0.630 9.575 -7.986 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.185 9.864 -6.545 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.521 7.388 -7.166 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.401 6.126 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.637 7.193 -5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.188 7.655 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.423 6.752 -8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.210 8.307 -8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.674 8.274 -9.131 1.00 0.00 H new ATOM 94 N ARG A 10 -1.940 10.274 -4.423 1.00 0.00 N ATOM 95 CA ARG A 10 -1.320 10.418 -3.112 1.00 0.00 C ATOM 96 C ARG A 10 -1.494 9.147 -2.285 1.00 0.00 C ATOM 97 O ARG A 10 -2.615 8.688 -2.063 1.00 0.00 O ATOM 98 CB ARG A 10 -1.923 11.611 -2.367 1.00 0.00 C ATOM 99 CG ARG A 10 -1.037 12.146 -1.254 1.00 0.00 C ATOM 100 CD ARG A 10 -1.764 13.181 -0.411 1.00 0.00 C ATOM 101 NE ARG A 10 -0.842 14.134 0.202 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.159 14.899 1.241 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.369 14.823 1.779 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.266 15.741 1.743 1.00 0.00 N ATOM 0 H ARG A 10 -2.734 10.894 -4.585 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.254 10.592 -3.259 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.120 12.412 -3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.884 11.317 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.711 11.322 -0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.140 12.591 -1.684 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.479 13.718 -1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.335 12.677 0.368 1.00 0.00 H new ATOM 0 HE ARG A 10 0.096 14.217 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.058 14.176 1.395 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.610 15.411 2.577 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.665 15.802 1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.510 16.328 2.541 1.00 0.00 H new ATOM 118 N VAL A 11 -0.379 8.584 -1.833 1.00 0.00 N ATOM 119 CA VAL A 11 -0.408 7.367 -1.031 1.00 0.00 C ATOM 120 C VAL A 11 0.310 7.567 0.299 1.00 0.00 C ATOM 121 O VAL A 11 1.535 7.688 0.344 1.00 0.00 O ATOM 122 CB VAL A 11 0.239 6.186 -1.779 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.258 4.944 -0.901 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.494 5.916 -3.084 1.00 0.00 C ATOM 0 H VAL A 11 0.556 8.951 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.457 7.137 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 11 1.270 6.449 -2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.719 4.120 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.832 5.146 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.763 4.674 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.023 5.079 -3.599 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.535 5.673 -2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.449 6.803 -3.717 1.00 0.00 H new ATOM 134 N LYS A 12 -0.459 7.601 1.381 1.00 0.00 N ATOM 135 CA LYS A 12 0.103 7.785 2.714 1.00 0.00 C ATOM 136 C LYS A 12 0.374 6.440 3.381 1.00 0.00 C ATOM 137 O LYS A 12 -0.540 5.641 3.583 1.00 0.00 O ATOM 138 CB LYS A 12 -0.849 8.613 3.581 1.00 0.00 C ATOM 139 CG LYS A 12 -0.209 9.139 4.855 1.00 0.00 C ATOM 140 CD LYS A 12 -1.246 9.722 5.800 1.00 0.00 C ATOM 141 CE LYS A 12 -1.843 11.007 5.247 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.030 11.449 6.031 1.00 0.00 N ATOM 0 H LYS A 12 -1.474 7.504 1.361 1.00 0.00 H new ATOM 0 HA LYS A 12 1.049 8.317 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.220 9.455 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.712 8.002 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.327 8.332 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.527 9.903 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.039 8.993 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.787 9.920 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.087 11.793 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.131 10.856 4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.408 12.328 5.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.761 10.710 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.751 11.618 7.018 1.00 0.00 H new ATOM 156 N PHE A 13 1.636 6.197 3.721 1.00 0.00 N ATOM 157 CA PHE A 13 2.027 4.949 4.365 1.00 0.00 C ATOM 158 C PHE A 13 1.916 5.062 5.883 1.00 0.00 C ATOM 159 O PHE A 13 1.891 6.163 6.433 1.00 0.00 O ATOM 160 CB PHE A 13 3.458 4.576 3.974 1.00 0.00 C ATOM 161 CG PHE A 13 3.578 4.047 2.573 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.779 3.000 2.143 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.489 4.597 1.686 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.888 2.511 0.855 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.602 4.113 0.396 1.00 0.00 C ATOM 166 CZ PHE A 13 3.799 3.069 -0.020 1.00 0.00 C ATOM 0 H PHE A 13 2.405 6.848 3.561 1.00 0.00 H new ATOM 0 HA PHE A 13 1.349 4.166 4.026 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.095 5.454 4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.833 3.826 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.063 2.561 2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.119 5.414 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.261 1.693 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.317 4.550 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.883 2.690 -1.028 1.00 0.00 H new ATOM 176 N GLU A 14 1.850 3.916 6.553 1.00 0.00 N ATOM 177 CA GLU A 14 1.740 3.887 8.006 1.00 0.00 C ATOM 178 C GLU A 14 2.367 2.616 8.574 1.00 0.00 C ATOM 179 O GLU A 14 1.900 1.508 8.308 1.00 0.00 O ATOM 180 CB GLU A 14 0.273 3.979 8.431 1.00 0.00 C ATOM 181 CG GLU A 14 -0.212 5.404 8.639 1.00 0.00 C ATOM 182 CD GLU A 14 -1.724 5.510 8.648 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.348 5.034 9.619 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.285 6.069 7.682 1.00 0.00 O ATOM 0 H GLU A 14 1.871 2.996 6.113 1.00 0.00 H new ATOM 0 HA GLU A 14 2.280 4.747 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.347 3.500 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.136 3.419 9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.181 5.783 9.582 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.188 6.039 7.849 1.00 0.00 H new ATOM 191 N HIS A 15 3.427 2.785 9.357 1.00 0.00 N ATOM 192 CA HIS A 15 4.119 1.652 9.962 1.00 0.00 C ATOM 193 C HIS A 15 4.656 2.018 11.343 1.00 0.00 C ATOM 194 O HIS A 15 5.297 3.056 11.514 1.00 0.00 O ATOM 195 CB HIS A 15 5.264 1.186 9.063 1.00 0.00 C ATOM 196 CG HIS A 15 5.548 -0.280 9.166 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.382 -0.999 10.331 1.00 0.00 N ATOM 198 CD2 HIS A 15 5.989 -1.164 8.240 1.00 0.00 C ATOM 199 CE1 HIS A 15 5.709 -2.261 10.118 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.080 -2.388 8.857 1.00 0.00 N ATOM 0 H HIS A 15 3.826 3.695 9.588 1.00 0.00 H new ATOM 0 HA HIS A 15 3.402 0.838 10.074 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.024 1.429 8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.166 1.741 9.320 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.225 -0.947 7.209 1.00 0.00 H new ATOM 0 HE1 HIS A 15 5.678 -3.054 10.851 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.385 -3.254 8.413 1.00 0.00 H new ATOM 209 N ARG A 16 4.391 1.161 12.322 1.00 0.00 N ATOM 210 CA ARG A 16 4.846 1.396 13.687 1.00 0.00 C ATOM 211 C ARG A 16 4.699 2.867 14.064 1.00 0.00 C ATOM 212 O ARG A 16 5.572 3.443 14.712 1.00 0.00 O ATOM 213 CB ARG A 16 6.305 0.962 13.842 1.00 0.00 C ATOM 214 CG ARG A 16 6.506 -0.542 13.756 1.00 0.00 C ATOM 215 CD ARG A 16 7.981 -0.903 13.679 1.00 0.00 C ATOM 216 NE ARG A 16 8.482 -0.871 12.308 1.00 0.00 N ATOM 217 CZ ARG A 16 9.767 -0.743 11.998 1.00 0.00 C ATOM 218 NH1 ARG A 16 10.677 -0.636 12.956 1.00 0.00 N ATOM 219 NH2 ARG A 16 10.145 -0.722 10.726 1.00 0.00 N ATOM 0 H ARG A 16 3.863 0.297 12.196 1.00 0.00 H new ATOM 0 HA ARG A 16 4.224 0.803 14.358 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.903 1.445 13.069 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.680 1.316 14.802 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.058 -1.020 14.627 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.989 -0.930 12.878 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.556 -0.209 14.291 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.133 -1.898 14.097 1.00 0.00 H new ATOM 0 HE ARG A 16 7.808 -0.951 11.547 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.391 -0.652 13.935 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.663 -0.538 12.714 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.448 -0.804 9.986 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.132 -0.624 10.489 1.00 0.00 H new ATOM 233 N GLY A 17 3.587 3.469 13.653 1.00 0.00 N ATOM 234 CA GLY A 17 3.346 4.868 13.956 1.00 0.00 C ATOM 235 C GLY A 17 3.878 5.794 12.881 1.00 0.00 C ATOM 236 O GLY A 17 3.278 6.829 12.592 1.00 0.00 O ATOM 0 H GLY A 17 2.849 3.013 13.116 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.275 5.032 14.075 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.814 5.116 14.909 1.00 0.00 H new ATOM 240 N GLU A 18 5.008 5.423 12.288 1.00 0.00 N ATOM 241 CA GLU A 18 5.621 6.231 11.240 1.00 0.00 C ATOM 242 C GLU A 18 4.714 6.315 10.016 1.00 0.00 C ATOM 243 O GLU A 18 3.850 5.462 9.810 1.00 0.00 O ATOM 244 CB GLU A 18 6.979 5.646 10.843 1.00 0.00 C ATOM 245 CG GLU A 18 7.945 5.507 12.007 1.00 0.00 C ATOM 246 CD GLU A 18 7.915 6.704 12.937 1.00 0.00 C ATOM 247 OE1 GLU A 18 8.218 7.823 12.471 1.00 0.00 O ATOM 248 OE2 GLU A 18 7.590 6.523 14.128 1.00 0.00 O ATOM 0 H GLU A 18 5.517 4.569 12.515 1.00 0.00 H new ATOM 0 HA GLU A 18 5.767 7.238 11.632 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.825 4.666 10.391 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.430 6.282 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.701 4.607 12.571 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.956 5.377 11.621 1.00 0.00 H new ATOM 255 N LYS A 19 4.916 7.349 9.207 1.00 0.00 N ATOM 256 CA LYS A 19 4.118 7.546 8.003 1.00 0.00 C ATOM 257 C LYS A 19 4.965 8.133 6.879 1.00 0.00 C ATOM 258 O LYS A 19 5.963 8.810 7.129 1.00 0.00 O ATOM 259 CB LYS A 19 2.933 8.469 8.297 1.00 0.00 C ATOM 260 CG LYS A 19 2.041 7.973 9.422 1.00 0.00 C ATOM 261 CD LYS A 19 1.343 9.123 10.129 1.00 0.00 C ATOM 262 CE LYS A 19 0.292 9.769 9.239 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.438 10.858 9.944 1.00 0.00 N ATOM 0 H LYS A 19 5.626 8.064 9.363 1.00 0.00 H new ATOM 0 HA LYS A 19 3.743 6.574 7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.309 9.460 8.553 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.335 8.579 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.296 7.286 9.021 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.638 7.412 10.141 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.873 8.758 11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.079 9.870 10.425 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.770 10.171 8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.418 9.012 8.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.145 11.273 9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.915 10.470 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.236 11.593 10.239 1.00 0.00 H new ATOM 277 N ARG A 20 4.562 7.870 5.640 1.00 0.00 N ATOM 278 CA ARG A 20 5.284 8.372 4.478 1.00 0.00 C ATOM 279 C ARG A 20 4.357 8.495 3.272 1.00 0.00 C ATOM 280 O ARG A 20 3.828 7.498 2.779 1.00 0.00 O ATOM 281 CB ARG A 20 6.456 7.448 4.141 1.00 0.00 C ATOM 282 CG ARG A 20 7.755 7.836 4.830 1.00 0.00 C ATOM 283 CD ARG A 20 8.322 9.128 4.262 1.00 0.00 C ATOM 284 NE ARG A 20 9.334 9.712 5.138 1.00 0.00 N ATOM 285 CZ ARG A 20 10.608 9.336 5.142 1.00 0.00 C ATOM 286 NH1 ARG A 20 11.024 8.382 4.321 1.00 0.00 N ATOM 287 NH2 ARG A 20 11.470 9.916 5.969 1.00 0.00 N ATOM 0 H ARG A 20 3.739 7.312 5.415 1.00 0.00 H new ATOM 0 HA ARG A 20 5.669 9.362 4.721 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.196 6.428 4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.612 7.451 3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.580 7.953 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.484 7.034 4.712 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.759 8.933 3.283 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.514 9.844 4.113 1.00 0.00 H new ATOM 0 HE ARG A 20 9.047 10.449 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.365 7.934 3.684 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.003 8.096 4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.154 10.651 6.602 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.448 9.627 5.971 1.00 0.00 H new ATOM 301 N ILE A 21 4.164 9.723 2.803 1.00 0.00 N ATOM 302 CA ILE A 21 3.301 9.975 1.656 1.00 0.00 C ATOM 303 C ILE A 21 4.087 9.904 0.351 1.00 0.00 C ATOM 304 O ILE A 21 5.198 10.427 0.253 1.00 0.00 O ATOM 305 CB ILE A 21 2.619 11.353 1.757 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.702 11.404 2.980 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.835 11.649 0.487 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.150 12.783 3.264 1.00 0.00 C ATOM 0 H ILE A 21 4.594 10.559 3.200 1.00 0.00 H new ATOM 0 HA ILE A 21 2.536 9.199 1.660 1.00 0.00 H new ATOM 0 HB ILE A 21 3.389 12.116 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.872 10.713 2.831 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.254 11.056 3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.359 12.626 0.573 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.512 11.649 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.072 10.884 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.509 12.744 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.973 13.474 3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.570 13.126 2.407 1.00 0.00 H new ATOM 320 N LEU A 22 3.503 9.254 -0.650 1.00 0.00 N ATOM 321 CA LEU A 22 4.148 9.115 -1.951 1.00 0.00 C ATOM 322 C LEU A 22 3.263 9.676 -3.059 1.00 0.00 C ATOM 323 O LEU A 22 2.104 10.020 -2.827 1.00 0.00 O ATOM 324 CB LEU A 22 4.465 7.645 -2.231 1.00 0.00 C ATOM 325 CG LEU A 22 5.753 7.106 -1.608 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.611 6.998 -0.098 1.00 0.00 C ATOM 327 CD2 LEU A 22 6.112 5.756 -2.210 1.00 0.00 C ATOM 0 H LEU A 22 2.584 8.815 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 22 5.078 9.683 -1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.632 7.040 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.521 7.505 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 22 6.560 7.805 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.537 6.613 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.402 7.983 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.792 6.321 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.031 5.388 -1.755 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.305 5.048 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.257 5.864 -3.285 1.00 0.00 H new ATOM 339 N GLN A 23 3.816 9.764 -4.264 1.00 0.00 N ATOM 340 CA GLN A 23 3.076 10.281 -5.409 1.00 0.00 C ATOM 341 C GLN A 23 3.335 9.437 -6.652 1.00 0.00 C ATOM 342 O GLN A 23 4.462 9.367 -7.144 1.00 0.00 O ATOM 343 CB GLN A 23 3.462 11.737 -5.677 1.00 0.00 C ATOM 344 CG GLN A 23 2.767 12.730 -4.759 1.00 0.00 C ATOM 345 CD GLN A 23 2.675 14.117 -5.364 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.604 14.918 -5.254 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.550 14.409 -6.006 1.00 0.00 N ATOM 0 H GLN A 23 4.774 9.484 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 23 2.013 10.231 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.541 11.845 -5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.223 11.983 -6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.764 12.369 -4.532 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.307 12.785 -3.814 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.806 13.715 -6.073 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.430 15.328 -6.432 1.00 0.00 H new ATOM 356 N PHE A 24 2.286 8.797 -7.156 1.00 0.00 N ATOM 357 CA PHE A 24 2.400 7.955 -8.342 1.00 0.00 C ATOM 358 C PHE A 24 1.418 8.400 -9.421 1.00 0.00 C ATOM 359 O PHE A 24 0.202 8.262 -9.285 1.00 0.00 O ATOM 360 CB PHE A 24 2.148 6.490 -7.980 1.00 0.00 C ATOM 361 CG PHE A 24 3.084 5.963 -6.929 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.823 6.170 -5.584 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.223 5.260 -7.287 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.683 5.686 -4.616 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.086 4.773 -6.323 1.00 0.00 C ATOM 366 CZ PHE A 24 4.815 4.986 -4.986 1.00 0.00 C ATOM 0 H PHE A 24 1.346 8.845 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 24 3.413 8.056 -8.733 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.122 6.382 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.243 5.880 -8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.939 6.715 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.439 5.090 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.470 5.855 -3.571 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.971 4.227 -6.615 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.487 4.606 -4.231 1.00 0.00 H new ATOM 376 N PRO A 25 1.956 8.948 -10.521 1.00 0.00 N ATOM 377 CA PRO A 25 1.146 9.425 -11.645 1.00 0.00 C ATOM 378 C PRO A 25 0.494 8.282 -12.416 1.00 0.00 C ATOM 379 O PRO A 25 1.180 7.453 -13.013 1.00 0.00 O ATOM 380 CB PRO A 25 2.161 10.155 -12.529 1.00 0.00 C ATOM 381 CG PRO A 25 3.470 9.523 -12.204 1.00 0.00 C ATOM 382 CD PRO A 25 3.397 9.144 -10.751 1.00 0.00 C ATOM 0 HA PRO A 25 0.319 10.053 -11.314 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.919 10.043 -13.586 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.174 11.224 -12.317 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.646 8.646 -12.828 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.293 10.214 -12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.964 8.236 -10.544 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.803 9.927 -10.111 1.00 0.00 H new ATOM 390 N ARG A 26 -0.835 8.244 -12.397 1.00 0.00 N ATOM 391 CA ARG A 26 -1.579 7.202 -13.094 1.00 0.00 C ATOM 392 C ARG A 26 -1.122 7.085 -14.545 1.00 0.00 C ATOM 393 O ARG A 26 -0.746 8.068 -15.184 1.00 0.00 O ATOM 394 CB ARG A 26 -3.079 7.497 -13.042 1.00 0.00 C ATOM 395 CG ARG A 26 -3.763 6.959 -11.796 1.00 0.00 C ATOM 396 CD ARG A 26 -5.243 7.309 -11.777 1.00 0.00 C ATOM 397 NE ARG A 26 -5.463 8.751 -11.711 1.00 0.00 N ATOM 398 CZ ARG A 26 -5.489 9.540 -12.780 1.00 0.00 C ATOM 399 NH1 ARG A 26 -5.310 9.030 -13.990 1.00 0.00 N ATOM 400 NH2 ARG A 26 -5.695 10.844 -12.638 1.00 0.00 N ATOM 0 H ARG A 26 -1.418 8.923 -11.907 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.384 6.254 -12.593 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.231 8.575 -13.092 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.556 7.067 -13.923 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.644 5.876 -11.753 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.280 7.369 -10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.721 6.910 -12.671 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.718 6.830 -10.921 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.604 9.176 -10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.152 8.029 -14.103 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.331 9.639 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.833 11.240 -11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.715 11.450 -13.459 1.00 0.00 H new ATOM 414 N PRO A 27 -1.155 5.855 -15.078 1.00 0.00 N ATOM 415 CA PRO A 27 -1.600 4.678 -14.327 1.00 0.00 C ATOM 416 C PRO A 27 -0.616 4.283 -13.231 1.00 0.00 C ATOM 417 O PRO A 27 0.596 4.268 -13.446 1.00 0.00 O ATOM 418 CB PRO A 27 -1.678 3.584 -15.394 1.00 0.00 C ATOM 419 CG PRO A 27 -0.719 4.015 -16.449 1.00 0.00 C ATOM 420 CD PRO A 27 -0.759 5.518 -16.456 1.00 0.00 C ATOM 0 HA PRO A 27 -2.543 4.857 -13.811 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.405 2.611 -14.984 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.688 3.490 -15.792 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.286 3.652 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.002 3.613 -17.422 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.211 5.945 -16.711 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.476 5.898 -17.184 1.00 0.00 H new ATOM 428 N VAL A 28 -1.145 3.963 -12.054 1.00 0.00 N ATOM 429 CA VAL A 28 -0.313 3.567 -10.924 1.00 0.00 C ATOM 430 C VAL A 28 0.071 2.094 -11.015 1.00 0.00 C ATOM 431 O VAL A 28 -0.733 1.255 -11.421 1.00 0.00 O ATOM 432 CB VAL A 28 -1.029 3.818 -9.584 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.125 3.449 -8.418 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.478 5.268 -9.484 1.00 0.00 C ATOM 0 H VAL A 28 -2.146 3.970 -11.858 1.00 0.00 H new ATOM 0 HA VAL A 28 0.589 4.178 -10.965 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.914 3.184 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.648 3.633 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.142 2.394 -8.484 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.780 4.055 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.982 5.428 -8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.609 5.923 -9.549 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.165 5.493 -10.300 1.00 0.00 H new ATOM 444 N LYS A 29 1.306 1.786 -10.633 1.00 0.00 N ATOM 445 CA LYS A 29 1.798 0.414 -10.669 1.00 0.00 C ATOM 446 C LYS A 29 2.014 -0.124 -9.258 1.00 0.00 C ATOM 447 O LYS A 29 2.611 0.545 -8.412 1.00 0.00 O ATOM 448 CB LYS A 29 3.106 0.340 -11.460 1.00 0.00 C ATOM 449 CG LYS A 29 2.989 0.865 -12.880 1.00 0.00 C ATOM 450 CD LYS A 29 2.328 -0.151 -13.797 1.00 0.00 C ATOM 451 CE LYS A 29 1.592 0.528 -14.942 1.00 0.00 C ATOM 452 NZ LYS A 29 2.533 1.087 -15.952 1.00 0.00 N ATOM 0 H LYS A 29 1.985 2.468 -10.295 1.00 0.00 H new ATOM 0 HA LYS A 29 1.046 -0.202 -11.163 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.872 0.909 -10.933 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.444 -0.696 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.410 1.788 -12.881 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.980 1.110 -13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.084 -0.826 -14.198 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.629 -0.760 -13.224 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.927 -0.190 -15.423 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.965 1.328 -14.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.993 1.541 -16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.151 1.791 -15.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.114 0.320 -16.347 1.00 0.00 H new ATOM 466 N LEU A 30 1.527 -1.334 -9.009 1.00 0.00 N ATOM 467 CA LEU A 30 1.668 -1.962 -7.700 1.00 0.00 C ATOM 468 C LEU A 30 3.137 -2.066 -7.302 1.00 0.00 C ATOM 469 O LEU A 30 3.506 -1.749 -6.172 1.00 0.00 O ATOM 470 CB LEU A 30 1.031 -3.353 -7.709 1.00 0.00 C ATOM 471 CG LEU A 30 1.236 -4.193 -6.447 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.588 -3.519 -5.247 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.675 -5.594 -6.642 1.00 0.00 C ATOM 0 H LEU A 30 1.031 -1.901 -9.697 1.00 0.00 H new ATOM 0 HA LEU A 30 1.155 -1.339 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.040 -3.239 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.429 -3.907 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 30 2.306 -4.275 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.744 -4.130 -4.358 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.036 -2.537 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.481 -3.406 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.830 -6.177 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.392 -5.532 -6.856 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.185 -6.077 -7.475 1.00 0.00 H new ATOM 485 N GLU A 31 3.969 -2.510 -8.238 1.00 0.00 N ATOM 486 CA GLU A 31 5.398 -2.653 -7.984 1.00 0.00 C ATOM 487 C GLU A 31 6.011 -1.322 -7.560 1.00 0.00 C ATOM 488 O GLU A 31 6.903 -1.279 -6.712 1.00 0.00 O ATOM 489 CB GLU A 31 6.110 -3.181 -9.231 1.00 0.00 C ATOM 490 CG GLU A 31 6.436 -2.101 -10.249 1.00 0.00 C ATOM 491 CD GLU A 31 7.351 -2.597 -11.352 1.00 0.00 C ATOM 492 OE1 GLU A 31 6.837 -3.152 -12.346 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.582 -2.429 -11.221 1.00 0.00 O ATOM 0 H GLU A 31 3.679 -2.777 -9.179 1.00 0.00 H new ATOM 0 HA GLU A 31 5.527 -3.368 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.034 -3.675 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.483 -3.937 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.510 -1.730 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.907 -1.259 -9.742 1.00 0.00 H new ATOM 500 N ASP A 32 5.528 -0.238 -8.157 1.00 0.00 N ATOM 501 CA ASP A 32 6.028 1.096 -7.842 1.00 0.00 C ATOM 502 C ASP A 32 5.777 1.438 -6.377 1.00 0.00 C ATOM 503 O ASP A 32 6.683 1.876 -5.667 1.00 0.00 O ATOM 504 CB ASP A 32 5.364 2.138 -8.743 1.00 0.00 C ATOM 505 CG ASP A 32 6.013 2.220 -10.111 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.092 1.177 -10.793 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.441 3.326 -10.498 1.00 0.00 O ATOM 0 H ASP A 32 4.791 -0.256 -8.862 1.00 0.00 H new ATOM 0 HA ASP A 32 7.103 1.106 -8.020 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.308 1.893 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.414 3.115 -8.262 1.00 0.00 H new ATOM 512 N LEU A 33 4.542 1.236 -5.931 1.00 0.00 N ATOM 513 CA LEU A 33 4.171 1.524 -4.549 1.00 0.00 C ATOM 514 C LEU A 33 5.096 0.801 -3.575 1.00 0.00 C ATOM 515 O LEU A 33 5.576 1.390 -2.607 1.00 0.00 O ATOM 516 CB LEU A 33 2.721 1.112 -4.294 1.00 0.00 C ATOM 517 CG LEU A 33 1.651 2.107 -4.745 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.359 1.383 -5.089 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.407 3.154 -3.668 1.00 0.00 C ATOM 0 H LEU A 33 3.781 0.874 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 33 4.271 2.597 -4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.540 0.162 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.597 0.935 -3.226 1.00 0.00 H new ATOM 0 HG LEU A 33 2.009 2.614 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.390 2.108 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.543 0.673 -5.895 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.004 0.849 -4.211 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.643 3.853 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.071 2.664 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.332 3.695 -3.471 1.00 0.00 H new ATOM 531 N ARG A 34 5.343 -0.477 -3.840 1.00 0.00 N ATOM 532 CA ARG A 34 6.212 -1.280 -2.987 1.00 0.00 C ATOM 533 C ARG A 34 7.661 -0.814 -3.094 1.00 0.00 C ATOM 534 O ARG A 34 8.301 -0.511 -2.087 1.00 0.00 O ATOM 535 CB ARG A 34 6.111 -2.758 -3.369 1.00 0.00 C ATOM 536 CG ARG A 34 4.684 -3.276 -3.429 1.00 0.00 C ATOM 537 CD ARG A 34 4.645 -4.775 -3.682 1.00 0.00 C ATOM 538 NE ARG A 34 5.269 -5.529 -2.598 1.00 0.00 N ATOM 539 CZ ARG A 34 6.571 -5.785 -2.534 1.00 0.00 C ATOM 540 NH1 ARG A 34 7.383 -5.348 -3.488 1.00 0.00 N ATOM 541 NH2 ARG A 34 7.063 -6.478 -1.516 1.00 0.00 N ATOM 0 H ARG A 34 4.954 -0.979 -4.638 1.00 0.00 H new ATOM 0 HA ARG A 34 5.884 -1.154 -1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.583 -2.906 -4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.673 -3.350 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.174 -3.051 -2.492 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.141 -2.758 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.610 -5.096 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.155 -4.998 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 34 4.672 -5.878 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.008 -4.814 -4.272 1.00 0.00 H new ATOM 0 HH12 ARG A 34 8.382 -5.546 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.442 -6.815 -0.781 1.00 0.00 H new ATOM 0 HH22 ARG A 34 8.063 -6.674 -1.468 1.00 0.00 H new ATOM 555 N SER A 35 8.170 -0.758 -4.320 1.00 0.00 N ATOM 556 CA SER A 35 9.545 -0.333 -4.558 1.00 0.00 C ATOM 557 C SER A 35 9.888 0.891 -3.714 1.00 0.00 C ATOM 558 O SER A 35 10.827 0.868 -2.919 1.00 0.00 O ATOM 559 CB SER A 35 9.755 -0.020 -6.041 1.00 0.00 C ATOM 560 OG SER A 35 11.112 -0.191 -6.411 1.00 0.00 O ATOM 0 H SER A 35 7.652 -1.001 -5.164 1.00 0.00 H new ATOM 0 HA SER A 35 10.207 -1.149 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.125 -0.672 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.445 1.004 -6.247 1.00 0.00 H new ATOM 0 HG SER A 35 11.220 0.013 -7.363 1.00 0.00 H new ATOM 566 N LYS A 36 9.120 1.960 -3.895 1.00 0.00 N ATOM 567 CA LYS A 36 9.340 3.195 -3.151 1.00 0.00 C ATOM 568 C LYS A 36 9.364 2.928 -1.649 1.00 0.00 C ATOM 569 O LYS A 36 10.387 3.121 -0.991 1.00 0.00 O ATOM 570 CB LYS A 36 8.248 4.215 -3.481 1.00 0.00 C ATOM 571 CG LYS A 36 8.191 4.590 -4.952 1.00 0.00 C ATOM 572 CD LYS A 36 9.352 5.489 -5.343 1.00 0.00 C ATOM 573 CE LYS A 36 9.179 6.895 -4.789 1.00 0.00 C ATOM 574 NZ LYS A 36 9.971 7.895 -5.558 1.00 0.00 N ATOM 0 H LYS A 36 8.339 1.996 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 36 10.308 3.600 -3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.282 3.810 -3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.414 5.116 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.209 3.686 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.250 5.097 -5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.284 5.063 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.431 5.532 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.124 7.169 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.487 6.914 -3.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.827 8.841 -5.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.980 7.648 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.660 7.895 -6.550 1.00 0.00 H new ATOM 588 N ALA A 37 8.233 2.483 -1.113 1.00 0.00 N ATOM 589 CA ALA A 37 8.126 2.187 0.310 1.00 0.00 C ATOM 590 C ALA A 37 9.353 1.431 0.807 1.00 0.00 C ATOM 591 O ALA A 37 9.788 1.612 1.944 1.00 0.00 O ATOM 592 CB ALA A 37 6.862 1.387 0.589 1.00 0.00 C ATOM 0 H ALA A 37 7.377 2.319 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 37 8.071 3.133 0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.795 1.173 1.656 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.991 1.964 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.894 0.450 0.032 1.00 0.00 H new ATOM 598 N LYS A 38 9.908 0.583 -0.052 1.00 0.00 N ATOM 599 CA LYS A 38 11.086 -0.201 0.299 1.00 0.00 C ATOM 600 C LYS A 38 12.331 0.679 0.344 1.00 0.00 C ATOM 601 O LYS A 38 13.218 0.474 1.174 1.00 0.00 O ATOM 602 CB LYS A 38 11.288 -1.336 -0.708 1.00 0.00 C ATOM 603 CG LYS A 38 12.383 -2.311 -0.314 1.00 0.00 C ATOM 604 CD LYS A 38 12.688 -3.290 -1.436 1.00 0.00 C ATOM 605 CE LYS A 38 14.125 -3.784 -1.369 1.00 0.00 C ATOM 606 NZ LYS A 38 14.308 -5.058 -2.117 1.00 0.00 N ATOM 0 H LYS A 38 9.560 0.421 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 38 10.926 -0.626 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.351 -1.881 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.527 -0.908 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.287 -1.759 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.079 -2.860 0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.007 -4.139 -1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.512 -2.809 -2.398 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.790 -3.024 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.411 -3.930 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.300 -5.362 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 13.692 -5.791 -1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.060 -4.913 -3.116 1.00 0.00 H new ATOM 620 N ILE A 39 12.391 1.659 -0.551 1.00 0.00 N ATOM 621 CA ILE A 39 13.526 2.571 -0.610 1.00 0.00 C ATOM 622 C ILE A 39 13.458 3.607 0.508 1.00 0.00 C ATOM 623 O ILE A 39 14.481 3.993 1.073 1.00 0.00 O ATOM 624 CB ILE A 39 13.593 3.300 -1.965 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.763 2.291 -3.103 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.733 4.307 -1.969 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.152 2.746 -4.410 1.00 0.00 C ATOM 0 H ILE A 39 11.667 1.842 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 39 14.424 1.965 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 39 12.658 3.839 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.826 2.102 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.309 1.344 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.767 4.814 -2.933 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.573 5.041 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.677 3.789 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.310 1.982 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.083 2.908 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.622 3.677 -4.727 1.00 0.00 H new ATOM 639 N ALA A 40 12.246 4.050 0.823 1.00 0.00 N ATOM 640 CA ALA A 40 12.044 5.038 1.876 1.00 0.00 C ATOM 641 C ALA A 40 12.457 4.484 3.235 1.00 0.00 C ATOM 642 O ALA A 40 13.197 5.127 3.980 1.00 0.00 O ATOM 643 CB ALA A 40 10.590 5.486 1.907 1.00 0.00 C ATOM 0 H ALA A 40 11.389 3.741 0.364 1.00 0.00 H new ATOM 0 HA ALA A 40 12.674 5.900 1.657 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.453 6.224 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.325 5.930 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.948 4.626 2.098 1.00 0.00 H new ATOM 649 N PHE A 41 11.975 3.286 3.552 1.00 0.00 N ATOM 650 CA PHE A 41 12.294 2.646 4.823 1.00 0.00 C ATOM 651 C PHE A 41 13.571 1.819 4.711 1.00 0.00 C ATOM 652 O PHE A 41 14.394 1.800 5.625 1.00 0.00 O ATOM 653 CB PHE A 41 11.135 1.755 5.275 1.00 0.00 C ATOM 654 CG PHE A 41 9.954 2.525 5.792 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.148 3.248 4.928 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.649 2.526 7.144 1.00 0.00 C ATOM 657 CE1 PHE A 41 8.060 3.957 5.401 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.563 3.233 7.623 1.00 0.00 C ATOM 659 CZ PHE A 41 7.768 3.951 6.751 1.00 0.00 C ATOM 0 H PHE A 41 11.363 2.740 2.946 1.00 0.00 H new ATOM 0 HA PHE A 41 12.453 3.429 5.565 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.816 1.135 4.437 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.488 1.080 6.055 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.373 3.258 3.872 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.267 1.968 7.831 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.439 4.515 4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.336 3.224 8.679 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.920 4.506 7.124 1.00 0.00 H new ATOM 669 N GLY A 42 13.730 1.136 3.581 1.00 0.00 N ATOM 670 CA GLY A 42 14.908 0.316 3.369 1.00 0.00 C ATOM 671 C GLY A 42 14.684 -1.132 3.755 1.00 0.00 C ATOM 672 O GLY A 42 15.626 -1.838 4.113 1.00 0.00 O ATOM 0 H GLY A 42 13.064 1.136 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.199 0.368 2.320 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.737 0.720 3.950 1.00 0.00 H new ATOM 676 N GLN A 43 13.433 -1.575 3.685 1.00 0.00 N ATOM 677 CA GLN A 43 13.088 -2.948 4.033 1.00 0.00 C ATOM 678 C GLN A 43 11.882 -3.427 3.232 1.00 0.00 C ATOM 679 O GLN A 43 11.022 -2.632 2.851 1.00 0.00 O ATOM 680 CB GLN A 43 12.797 -3.059 5.531 1.00 0.00 C ATOM 681 CG GLN A 43 14.028 -3.366 6.368 1.00 0.00 C ATOM 682 CD GLN A 43 13.699 -3.577 7.833 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.055 -2.762 8.685 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.016 -4.674 8.135 1.00 0.00 N ATOM 0 H GLN A 43 12.642 -1.003 3.390 1.00 0.00 H new ATOM 0 HA GLN A 43 13.939 -3.583 3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.356 -2.124 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.054 -3.841 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.516 -4.259 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.741 -2.547 6.274 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.741 -5.323 7.398 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.766 -4.868 9.105 1.00 0.00 H new ATOM 693 N SER A 44 11.826 -4.731 2.979 1.00 0.00 N ATOM 694 CA SER A 44 10.727 -5.315 2.219 1.00 0.00 C ATOM 695 C SER A 44 9.491 -5.487 3.096 1.00 0.00 C ATOM 696 O SER A 44 9.456 -6.347 3.976 1.00 0.00 O ATOM 697 CB SER A 44 11.144 -6.665 1.634 1.00 0.00 C ATOM 698 OG SER A 44 11.724 -6.509 0.351 1.00 0.00 O ATOM 0 H SER A 44 12.528 -5.403 3.289 1.00 0.00 H new ATOM 0 HA SER A 44 10.480 -4.635 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.856 -7.149 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.275 -7.319 1.566 1.00 0.00 H new ATOM 0 HG SER A 44 11.983 -7.387 0.000 1.00 0.00 H new ATOM 704 N MET A 45 8.478 -4.663 2.850 1.00 0.00 N ATOM 705 CA MET A 45 7.239 -4.725 3.617 1.00 0.00 C ATOM 706 C MET A 45 6.029 -4.795 2.690 1.00 0.00 C ATOM 707 O MET A 45 6.077 -4.322 1.554 1.00 0.00 O ATOM 708 CB MET A 45 7.122 -3.508 4.536 1.00 0.00 C ATOM 709 CG MET A 45 7.422 -2.190 3.841 1.00 0.00 C ATOM 710 SD MET A 45 7.860 -0.878 4.998 1.00 0.00 S ATOM 711 CE MET A 45 9.248 -1.627 5.848 1.00 0.00 C ATOM 0 H MET A 45 8.490 -3.945 2.126 1.00 0.00 H new ATOM 0 HA MET A 45 7.262 -5.629 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.114 -3.470 4.949 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.806 -3.630 5.376 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.240 -2.334 3.135 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.551 -1.883 3.262 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.927 -1.979 6.829 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.621 -2.469 5.265 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.042 -0.890 5.969 1.00 0.00 H new ATOM 721 N ASP A 46 4.946 -5.387 3.182 1.00 0.00 N ATOM 722 CA ASP A 46 3.724 -5.518 2.398 1.00 0.00 C ATOM 723 C ASP A 46 2.909 -4.229 2.443 1.00 0.00 C ATOM 724 O ASP A 46 3.132 -3.370 3.297 1.00 0.00 O ATOM 725 CB ASP A 46 2.883 -6.686 2.915 1.00 0.00 C ATOM 726 CG ASP A 46 3.454 -8.032 2.515 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.541 -8.389 3.015 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.813 -8.729 1.701 1.00 0.00 O ATOM 0 H ASP A 46 4.890 -5.784 4.120 1.00 0.00 H new ATOM 0 HA ASP A 46 4.005 -5.713 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.818 -6.630 4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.867 -6.597 2.530 1.00 0.00 H new ATOM 733 N LEU A 47 1.963 -4.100 1.519 1.00 0.00 N ATOM 734 CA LEU A 47 1.115 -2.916 1.452 1.00 0.00 C ATOM 735 C LEU A 47 -0.352 -3.284 1.654 1.00 0.00 C ATOM 736 O LEU A 47 -0.985 -3.864 0.771 1.00 0.00 O ATOM 737 CB LEU A 47 1.294 -2.211 0.106 1.00 0.00 C ATOM 738 CG LEU A 47 2.402 -1.159 0.043 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.767 -1.811 0.194 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.323 -0.379 -1.262 1.00 0.00 C ATOM 0 H LEU A 47 1.764 -4.802 0.806 1.00 0.00 H new ATOM 0 HA LEU A 47 1.415 -2.240 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.494 -2.967 -0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.351 -1.733 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 47 2.262 -0.462 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.543 -1.047 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.821 -2.324 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.917 -2.531 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.119 0.365 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.437 -1.064 -2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.357 0.121 -1.329 1.00 0.00 H new ATOM 752 N HIS A 48 -0.887 -2.942 2.822 1.00 0.00 N ATOM 753 CA HIS A 48 -2.280 -3.235 3.139 1.00 0.00 C ATOM 754 C HIS A 48 -3.095 -1.949 3.244 1.00 0.00 C ATOM 755 O HIS A 48 -2.922 -1.168 4.180 1.00 0.00 O ATOM 756 CB HIS A 48 -2.374 -4.020 4.448 1.00 0.00 C ATOM 757 CG HIS A 48 -1.844 -5.417 4.347 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.716 -5.745 3.626 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.295 -6.575 4.884 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.497 -7.044 3.721 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.440 -7.571 4.480 1.00 0.00 N ATOM 0 H HIS A 48 -0.377 -2.462 3.564 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.691 -3.841 2.331 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.823 -3.486 5.223 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.416 -4.057 4.766 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.165 -6.694 5.513 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.315 -7.583 3.257 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.520 -8.558 4.726 1.00 0.00 H new ATOM 770 N TYR A 49 -3.981 -1.736 2.278 1.00 0.00 N ATOM 771 CA TYR A 49 -4.820 -0.543 2.260 1.00 0.00 C ATOM 772 C TYR A 49 -6.232 -0.863 2.742 1.00 0.00 C ATOM 773 O TYR A 49 -6.828 -1.862 2.339 1.00 0.00 O ATOM 774 CB TYR A 49 -4.873 0.048 0.850 1.00 0.00 C ATOM 775 CG TYR A 49 -6.080 -0.392 0.054 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.070 -1.585 -0.659 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.231 0.385 0.013 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.170 -1.991 -1.389 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.337 -0.013 -0.713 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.301 -1.202 -1.412 1.00 0.00 C ATOM 781 OH TYR A 49 -9.400 -1.602 -2.138 1.00 0.00 O ATOM 0 H TYR A 49 -4.137 -2.373 1.497 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.381 0.189 2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.872 1.136 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.969 -0.237 0.311 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.186 -2.206 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.262 1.317 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.145 -2.920 -1.938 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.224 0.603 -0.733 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.214 -1.259 -1.714 1.00 0.00 H new ATOM 791 N THR A 50 -6.763 -0.006 3.609 1.00 0.00 N ATOM 792 CA THR A 50 -8.103 -0.196 4.148 1.00 0.00 C ATOM 793 C THR A 50 -9.098 0.757 3.495 1.00 0.00 C ATOM 794 O THR A 50 -8.808 1.937 3.304 1.00 0.00 O ATOM 795 CB THR A 50 -8.131 0.018 5.673 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.827 1.383 5.983 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.135 -0.899 6.367 1.00 0.00 C ATOM 0 H THR A 50 -6.285 0.827 3.953 1.00 0.00 H new ATOM 0 HA THR A 50 -8.389 -1.224 3.927 1.00 0.00 H new ATOM 0 HB THR A 50 -9.132 -0.221 6.032 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.849 1.510 6.954 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.173 -0.730 7.443 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.387 -1.938 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.130 -0.688 6.002 1.00 0.00 H new ATOM 805 N ASN A 51 -10.273 0.236 3.154 1.00 0.00 N ATOM 806 CA ASN A 51 -11.311 1.042 2.522 1.00 0.00 C ATOM 807 C ASN A 51 -12.204 1.699 3.570 1.00 0.00 C ATOM 808 O ASN A 51 -12.253 2.923 3.679 1.00 0.00 O ATOM 809 CB ASN A 51 -12.157 0.177 1.585 1.00 0.00 C ATOM 810 CG ASN A 51 -13.523 0.779 1.318 1.00 0.00 C ATOM 811 OD1 ASN A 51 -14.291 1.039 2.244 1.00 0.00 O ATOM 812 ND2 ASN A 51 -13.831 1.004 0.046 1.00 0.00 N ATOM 0 H ASN A 51 -10.529 -0.740 3.305 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.824 1.826 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.629 0.047 0.640 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.279 -0.814 2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -14.736 1.408 -0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.163 0.773 -0.689 1.00 0.00 H new ATOM 819 N ASN A 52 -12.909 0.875 4.340 1.00 0.00 N ATOM 820 CA ASN A 52 -13.800 1.376 5.380 1.00 0.00 C ATOM 821 C ASN A 52 -13.534 0.675 6.708 1.00 0.00 C ATOM 822 O ASN A 52 -12.937 1.252 7.617 1.00 0.00 O ATOM 823 CB ASN A 52 -15.260 1.176 4.969 1.00 0.00 C ATOM 824 CG ASN A 52 -15.796 2.339 4.156 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.108 3.341 3.957 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.030 2.211 3.683 1.00 0.00 N ATOM 0 H ASN A 52 -12.880 -0.142 4.263 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.607 2.441 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.349 0.258 4.388 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.872 1.048 5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.444 2.961 3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.563 1.363 3.873 1.00 0.00 H new ATOM 833 N GLU A 53 -13.980 -0.573 6.813 1.00 0.00 N ATOM 834 CA GLU A 53 -13.790 -1.352 8.030 1.00 0.00 C ATOM 835 C GLU A 53 -13.130 -2.693 7.721 1.00 0.00 C ATOM 836 O GLU A 53 -13.333 -3.677 8.433 1.00 0.00 O ATOM 837 CB GLU A 53 -15.132 -1.582 8.730 1.00 0.00 C ATOM 838 CG GLU A 53 -15.879 -0.298 9.049 1.00 0.00 C ATOM 839 CD GLU A 53 -16.808 -0.444 10.239 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.314 -0.412 11.386 1.00 0.00 O ATOM 841 OE2 GLU A 53 -18.029 -0.591 10.023 1.00 0.00 O ATOM 0 H GLU A 53 -14.475 -1.066 6.070 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.134 -0.787 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.759 -2.210 8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.960 -2.132 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.160 0.496 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.457 0.008 8.177 1.00 0.00 H new ATOM 848 N LEU A 54 -12.339 -2.723 6.654 1.00 0.00 N ATOM 849 CA LEU A 54 -11.648 -3.942 6.249 1.00 0.00 C ATOM 850 C LEU A 54 -10.232 -3.633 5.773 1.00 0.00 C ATOM 851 O LEU A 54 -9.861 -2.471 5.607 1.00 0.00 O ATOM 852 CB LEU A 54 -12.428 -4.649 5.139 1.00 0.00 C ATOM 853 CG LEU A 54 -13.856 -5.073 5.487 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.553 -5.652 4.266 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.850 -6.080 6.628 1.00 0.00 C ATOM 0 H LEU A 54 -12.160 -1.918 6.054 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.585 -4.599 7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.467 -3.989 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.870 -5.536 4.839 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.408 -4.191 5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.568 -5.948 4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.590 -4.900 3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.002 -6.523 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.874 -6.371 6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.281 -6.962 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.390 -5.630 7.508 1.00 0.00 H new ATOM 867 N VAL A 55 -9.445 -4.682 5.553 1.00 0.00 N ATOM 868 CA VAL A 55 -8.071 -4.523 5.093 1.00 0.00 C ATOM 869 C VAL A 55 -7.813 -5.348 3.837 1.00 0.00 C ATOM 870 O VAL A 55 -8.035 -6.559 3.822 1.00 0.00 O ATOM 871 CB VAL A 55 -7.063 -4.937 6.182 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.637 -4.691 5.712 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.342 -4.190 7.477 1.00 0.00 C ATOM 0 H VAL A 55 -9.736 -5.651 5.686 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.934 -3.466 4.864 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.178 -6.004 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.939 -4.989 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.445 -5.275 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.504 -3.632 5.492 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.621 -4.495 8.235 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.256 -3.117 7.304 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.350 -4.422 7.821 1.00 0.00 H new ATOM 883 N ILE A 56 -7.342 -4.684 2.786 1.00 0.00 N ATOM 884 CA ILE A 56 -7.053 -5.357 1.526 1.00 0.00 C ATOM 885 C ILE A 56 -5.556 -5.355 1.234 1.00 0.00 C ATOM 886 O ILE A 56 -4.972 -4.337 0.861 1.00 0.00 O ATOM 887 CB ILE A 56 -7.795 -4.694 0.351 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.272 -4.497 0.698 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.648 -5.534 -0.909 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.561 -3.180 1.383 1.00 0.00 C ATOM 0 H ILE A 56 -7.153 -3.682 2.783 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.400 -6.385 1.630 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.352 -3.716 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.863 -4.559 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.597 -5.312 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.178 -5.053 -1.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.592 -5.627 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.069 -6.525 -0.737 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.627 -3.109 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.997 -3.123 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.267 -2.358 0.730 1.00 0.00 H new ATOM 902 N PRO A 57 -4.918 -6.523 1.404 1.00 0.00 N ATOM 903 CA PRO A 57 -3.482 -6.683 1.162 1.00 0.00 C ATOM 904 C PRO A 57 -3.130 -6.595 -0.320 1.00 0.00 C ATOM 905 O PRO A 57 -3.278 -7.567 -1.062 1.00 0.00 O ATOM 906 CB PRO A 57 -3.185 -8.085 1.699 1.00 0.00 C ATOM 907 CG PRO A 57 -4.484 -8.809 1.607 1.00 0.00 C ATOM 908 CD PRO A 57 -5.551 -7.777 1.846 1.00 0.00 C ATOM 0 HA PRO A 57 -2.899 -5.896 1.640 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.413 -8.580 1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.825 -8.047 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.603 -9.274 0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.540 -9.607 2.348 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.454 -7.994 1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.840 -7.733 2.896 1.00 0.00 H new ATOM 916 N LEU A 58 -2.664 -5.426 -0.744 1.00 0.00 N ATOM 917 CA LEU A 58 -2.291 -5.212 -2.138 1.00 0.00 C ATOM 918 C LEU A 58 -1.170 -6.159 -2.554 1.00 0.00 C ATOM 919 O LEU A 58 0.000 -5.926 -2.249 1.00 0.00 O ATOM 920 CB LEU A 58 -1.854 -3.761 -2.353 1.00 0.00 C ATOM 921 CG LEU A 58 -2.976 -2.725 -2.416 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.491 -1.380 -1.896 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.499 -2.591 -3.839 1.00 0.00 C ATOM 0 H LEU A 58 -2.535 -4.612 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.164 -5.418 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.175 -3.484 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.285 -3.708 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.793 -3.064 -1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.303 -0.655 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.166 -1.486 -0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.656 -1.034 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.297 -1.849 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.689 -2.275 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.886 -3.552 -4.176 1.00 0.00 H new ATOM 935 N THR A 59 -1.536 -7.229 -3.253 1.00 0.00 N ATOM 936 CA THR A 59 -0.562 -8.211 -3.712 1.00 0.00 C ATOM 937 C THR A 59 -0.504 -8.259 -5.234 1.00 0.00 C ATOM 938 O THR A 59 0.568 -8.406 -5.822 1.00 0.00 O ATOM 939 CB THR A 59 -0.888 -9.618 -3.177 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.256 -9.942 -3.452 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.634 -9.701 -1.680 1.00 0.00 C ATOM 0 H THR A 59 -2.500 -7.437 -3.513 1.00 0.00 H new ATOM 0 HA THR A 59 0.408 -7.899 -3.324 1.00 0.00 H new ATOM 0 HB THR A 59 -0.237 -10.333 -3.680 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.455 -10.839 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.872 -10.704 -1.326 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.414 -9.483 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.263 -8.976 -1.164 1.00 0.00 H new ATOM 949 N THR A 60 -1.665 -8.134 -5.870 1.00 0.00 N ATOM 950 CA THR A 60 -1.747 -8.163 -7.325 1.00 0.00 C ATOM 951 C THR A 60 -2.295 -6.850 -7.872 1.00 0.00 C ATOM 952 O THR A 60 -2.981 -6.112 -7.165 1.00 0.00 O ATOM 953 CB THR A 60 -2.637 -9.321 -7.814 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.964 -9.172 -7.296 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.066 -10.663 -7.381 1.00 0.00 C ATOM 0 H THR A 60 -2.562 -8.012 -5.400 1.00 0.00 H new ATOM 0 HA THR A 60 -0.733 -8.312 -7.695 1.00 0.00 H new ATOM 0 HB THR A 60 -2.667 -9.291 -8.903 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.951 -8.556 -6.534 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.712 -11.465 -7.738 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.068 -10.786 -7.801 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.009 -10.700 -6.293 1.00 0.00 H new ATOM 963 N GLN A 61 -1.988 -6.566 -9.133 1.00 0.00 N ATOM 964 CA GLN A 61 -2.451 -5.341 -9.774 1.00 0.00 C ATOM 965 C GLN A 61 -3.959 -5.178 -9.612 1.00 0.00 C ATOM 966 O GLN A 61 -4.440 -4.116 -9.217 1.00 0.00 O ATOM 967 CB GLN A 61 -2.083 -5.346 -11.258 1.00 0.00 C ATOM 968 CG GLN A 61 -2.482 -4.074 -11.989 1.00 0.00 C ATOM 969 CD GLN A 61 -1.522 -2.928 -11.734 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.316 -3.133 -11.595 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.054 -1.713 -11.671 1.00 0.00 N ATOM 0 H GLN A 61 -1.421 -7.167 -9.731 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.959 -4.499 -9.288 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.007 -5.489 -11.356 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.563 -6.198 -11.740 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.527 -4.274 -13.060 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.484 -3.780 -11.677 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.059 -1.590 -11.792 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.457 -0.903 -11.502 1.00 0.00 H new ATOM 980 N ASP A 62 -4.700 -6.237 -9.921 1.00 0.00 N ATOM 981 CA ASP A 62 -6.153 -6.212 -9.810 1.00 0.00 C ATOM 982 C ASP A 62 -6.590 -5.432 -8.574 1.00 0.00 C ATOM 983 O ASP A 62 -7.537 -4.646 -8.626 1.00 0.00 O ATOM 984 CB ASP A 62 -6.706 -7.637 -9.750 1.00 0.00 C ATOM 985 CG ASP A 62 -7.010 -8.198 -11.126 1.00 0.00 C ATOM 986 OD1 ASP A 62 -7.728 -7.525 -11.895 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.531 -9.310 -11.433 1.00 0.00 O ATOM 0 H ASP A 62 -4.318 -7.123 -10.250 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.552 -5.713 -10.693 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.985 -8.283 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.615 -7.646 -9.148 1.00 0.00 H new ATOM 992 N ASP A 63 -5.896 -5.655 -7.463 1.00 0.00 N ATOM 993 CA ASP A 63 -6.212 -4.973 -6.214 1.00 0.00 C ATOM 994 C ASP A 63 -5.953 -3.474 -6.332 1.00 0.00 C ATOM 995 O ASP A 63 -6.834 -2.658 -6.059 1.00 0.00 O ATOM 996 CB ASP A 63 -5.386 -5.557 -5.066 1.00 0.00 C ATOM 997 CG ASP A 63 -5.747 -6.999 -4.769 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.937 -7.270 -4.499 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.841 -7.857 -4.806 1.00 0.00 O ATOM 0 H ASP A 63 -5.111 -6.303 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.271 -5.125 -6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.327 -5.495 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.538 -4.955 -4.170 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.739 -3.119 -6.739 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.363 -1.718 -6.892 1.00 0.00 C ATOM 1006 C LEU A 64 -5.373 -0.976 -7.762 1.00 0.00 C ATOM 1007 O LEU A 64 -5.916 0.053 -7.360 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.966 -1.609 -7.505 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.542 -0.214 -7.965 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.566 0.762 -6.799 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.158 -0.258 -8.597 1.00 0.00 C ATOM 0 H LEU A 64 -3.999 -3.782 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.356 -1.258 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.241 -1.964 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.912 -2.283 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.252 0.131 -8.717 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.261 1.750 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.575 0.816 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.879 0.421 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.873 0.744 -8.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.436 -0.624 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.173 -0.925 -9.459 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.620 -1.505 -8.955 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.566 -0.895 -9.881 1.00 0.00 C ATOM 1025 C ASP A 65 -7.906 -0.637 -9.198 1.00 0.00 C ATOM 1026 O ASP A 65 -8.519 0.414 -9.386 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.767 -1.792 -11.104 1.00 0.00 C ATOM 1028 CG ASP A 65 -7.103 -1.001 -12.353 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.266 -0.177 -12.775 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -8.203 -1.207 -12.908 1.00 0.00 O ATOM 0 H ASP A 65 -5.178 -2.356 -9.304 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.154 0.061 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.861 -2.373 -11.278 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.568 -2.503 -10.902 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.355 -1.604 -8.405 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.622 -1.483 -7.693 1.00 0.00 C ATOM 1037 C LYS A 66 -9.478 -0.571 -6.479 1.00 0.00 C ATOM 1038 O LYS A 66 -10.468 -0.064 -5.951 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.116 -2.862 -7.252 1.00 0.00 C ATOM 1040 CG LYS A 66 -11.002 -3.547 -8.278 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.836 -4.650 -7.648 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.590 -5.449 -8.699 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.905 -6.827 -8.229 1.00 0.00 N ATOM 0 H LYS A 66 -7.860 -2.480 -8.239 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.352 -1.043 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.255 -3.498 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.668 -2.759 -6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.660 -2.811 -8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.384 -3.966 -9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.189 -5.317 -7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.544 -4.214 -6.943 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.515 -4.932 -8.954 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.994 -5.504 -9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.419 -7.339 -8.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.021 -7.330 -8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.495 -6.776 -7.374 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.240 -0.365 -6.042 1.00 0.00 N ATOM 1058 CA ALA A 67 -7.968 0.489 -4.892 1.00 0.00 C ATOM 1059 C ALA A 67 -7.814 1.946 -5.315 1.00 0.00 C ATOM 1060 O ALA A 67 -8.130 2.860 -4.553 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.718 0.014 -4.166 1.00 0.00 C ATOM 0 H ALA A 67 -7.410 -0.778 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.817 0.423 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.527 0.661 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.864 -1.010 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.867 0.051 -4.846 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.327 2.156 -6.534 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.132 3.502 -7.058 1.00 0.00 C ATOM 1069 C VAL A 68 -8.432 4.066 -7.622 1.00 0.00 C ATOM 1070 O VAL A 68 -8.709 5.258 -7.496 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.055 3.525 -8.159 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.859 4.939 -8.684 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.746 2.956 -7.634 1.00 0.00 C ATOM 0 H VAL A 68 -7.060 1.411 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.802 4.122 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.391 2.900 -8.986 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.095 4.936 -9.461 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.797 5.306 -9.100 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.544 5.590 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.996 2.980 -8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.402 3.553 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.900 1.926 -7.311 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.226 3.200 -8.244 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.497 3.612 -8.828 1.00 0.00 C ATOM 1085 C GLU A 69 -11.501 3.982 -7.740 1.00 0.00 C ATOM 1086 O GLU A 69 -12.279 4.924 -7.892 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.067 2.495 -9.705 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.601 1.313 -8.914 1.00 0.00 C ATOM 1089 CD GLU A 69 -13.077 1.444 -8.593 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.721 2.368 -9.133 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -13.588 0.624 -7.802 1.00 0.00 O ATOM 0 H GLU A 69 -9.012 2.209 -8.356 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.316 4.492 -9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.869 2.902 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.290 2.145 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.436 0.397 -9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.038 1.218 -7.985 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.477 3.234 -6.642 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.385 3.481 -5.528 1.00 0.00 C ATOM 1100 C LEU A 70 -12.077 4.818 -4.861 1.00 0.00 C ATOM 1101 O LEU A 70 -12.984 5.573 -4.510 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.284 2.351 -4.501 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.248 2.542 -3.393 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -11.786 3.467 -2.313 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -10.851 1.199 -2.798 1.00 0.00 C ATOM 0 H LEU A 70 -10.838 2.451 -6.500 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.401 3.517 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.262 2.219 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.055 1.426 -5.030 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.360 3.002 -3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.035 3.591 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.020 4.438 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.689 3.036 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.113 1.354 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.732 0.712 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.424 0.568 -3.577 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.791 5.106 -4.690 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.362 6.353 -4.067 1.00 0.00 C ATOM 1119 C LEU A 71 -10.852 7.557 -4.866 1.00 0.00 C ATOM 1120 O LEU A 71 -11.307 8.549 -4.296 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.837 6.390 -3.952 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.217 7.763 -3.690 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.716 8.332 -2.371 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.698 7.672 -3.694 1.00 0.00 C ATOM 0 H LEU A 71 -10.027 4.492 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.797 6.401 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.537 5.719 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.413 5.992 -4.874 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.522 8.437 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.264 9.309 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.801 8.435 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.442 7.660 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.274 8.658 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.373 6.983 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.358 7.310 -4.664 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.758 7.462 -6.187 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.195 8.542 -7.065 1.00 0.00 C ATOM 1138 C ASP A 72 -12.702 8.749 -6.963 1.00 0.00 C ATOM 1139 O ASP A 72 -13.168 9.841 -6.637 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.806 8.240 -8.513 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.586 9.499 -9.328 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.366 10.459 -9.157 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.636 9.524 -10.138 1.00 0.00 O ATOM 0 H ASP A 72 -10.383 6.648 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.698 9.459 -6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.896 7.640 -8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.588 7.641 -8.979 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.460 7.693 -7.244 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.915 7.760 -7.186 1.00 0.00 C ATOM 1150 C ARG A 73 -15.387 8.123 -5.781 1.00 0.00 C ATOM 1151 O ARG A 73 -16.400 8.801 -5.612 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.526 6.423 -7.611 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.306 5.306 -6.604 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.792 3.969 -7.141 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.191 3.720 -6.805 1.00 0.00 N ATOM 1156 CZ ARG A 73 -17.587 3.190 -5.653 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -16.695 2.856 -4.732 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -18.879 2.994 -5.421 1.00 0.00 N ATOM 0 H ARG A 73 -13.090 6.782 -7.514 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.245 8.538 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.597 6.555 -7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.099 6.126 -8.569 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.246 5.238 -6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.831 5.540 -5.678 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.670 3.947 -8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.174 3.169 -6.734 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.903 3.966 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -15.701 3.006 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.002 2.449 -3.848 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.569 3.250 -6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.182 2.587 -4.536 1.00 0.00 H new ATOM 1172 N SER A 74 -14.646 7.666 -4.777 1.00 0.00 N ATOM 1173 CA SER A 74 -14.991 7.939 -3.386 1.00 0.00 C ATOM 1174 C SER A 74 -15.041 9.441 -3.124 1.00 0.00 C ATOM 1175 O SER A 74 -14.179 10.192 -3.583 1.00 0.00 O ATOM 1176 CB SER A 74 -13.977 7.280 -2.449 1.00 0.00 C ATOM 1177 OG SER A 74 -14.328 7.487 -1.092 1.00 0.00 O ATOM 0 H SER A 74 -13.803 7.105 -4.900 1.00 0.00 H new ATOM 0 HA SER A 74 -15.979 7.521 -3.193 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.927 6.211 -2.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.984 7.688 -2.638 1.00 0.00 H new ATOM 0 HG SER A 74 -14.313 6.631 -0.616 1.00 0.00 H new ATOM 1183 N ILE A 75 -16.055 9.872 -2.382 1.00 0.00 N ATOM 1184 CA ILE A 75 -16.218 11.284 -2.057 1.00 0.00 C ATOM 1185 C ILE A 75 -15.631 11.603 -0.686 1.00 0.00 C ATOM 1186 O ILE A 75 -14.800 12.502 -0.549 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.701 11.699 -2.077 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -18.299 11.467 -3.467 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.848 13.157 -1.668 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -17.437 11.997 -4.591 1.00 0.00 C ATOM 0 H ILE A 75 -16.776 9.264 -1.994 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.681 11.848 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.245 11.084 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -18.455 10.398 -3.613 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -19.279 11.942 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.902 13.436 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -17.454 13.294 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -17.293 13.788 -2.363 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.922 11.798 -5.547 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.301 13.072 -4.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -16.465 11.504 -4.568 1.00 0.00 H new ATOM 1202 N HIS A 76 -16.068 10.861 0.326 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.584 11.063 1.687 1.00 0.00 C ATOM 1204 C HIS A 76 -14.076 10.841 1.767 1.00 0.00 C ATOM 1205 O HIS A 76 -13.343 11.675 2.296 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.302 10.119 2.652 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.504 8.741 2.102 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -15.515 7.779 2.099 1.00 0.00 N ATOM 1209 CD2 HIS A 76 -17.590 8.163 1.537 1.00 0.00 C ATOM 1210 CE1 HIS A 76 -15.984 6.671 1.553 1.00 0.00 C ATOM 1211 NE2 HIS A 76 -17.241 6.878 1.205 1.00 0.00 N ATOM 0 H HIS A 76 -16.756 10.114 0.230 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.797 12.093 1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.728 10.052 3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -17.272 10.544 2.909 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.552 8.627 1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.433 5.752 1.415 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.853 6.194 0.761 1.00 0.00 H new ATOM 1220 N MET A 77 -13.621 9.710 1.237 1.00 0.00 N ATOM 1221 CA MET A 77 -12.201 9.378 1.248 1.00 0.00 C ATOM 1222 C MET A 77 -11.380 10.485 0.594 1.00 0.00 C ATOM 1223 O MET A 77 -11.858 11.180 -0.303 1.00 0.00 O ATOM 1224 CB MET A 77 -11.959 8.052 0.525 1.00 0.00 C ATOM 1225 CG MET A 77 -10.648 7.383 0.904 1.00 0.00 C ATOM 1226 SD MET A 77 -10.688 5.596 0.672 1.00 0.00 S ATOM 1227 CE MET A 77 -9.375 5.381 -0.528 1.00 0.00 C ATOM 0 H MET A 77 -14.215 9.008 0.795 1.00 0.00 H new ATOM 0 HA MET A 77 -11.884 9.279 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.782 7.372 0.746 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.970 8.227 -0.551 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.842 7.805 0.304 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.419 7.605 1.946 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.119 4.324 -0.602 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.708 5.743 -1.501 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.497 5.945 -0.212 1.00 0.00 H new ATOM 1237 N LYS A 78 -10.141 10.644 1.049 1.00 0.00 N ATOM 1238 CA LYS A 78 -9.252 11.665 0.508 1.00 0.00 C ATOM 1239 C LYS A 78 -8.069 11.029 -0.215 1.00 0.00 C ATOM 1240 O LYS A 78 -7.769 11.376 -1.357 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.748 12.577 1.629 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.785 13.575 2.114 1.00 0.00 C ATOM 1243 CD LYS A 78 -10.692 12.968 3.171 1.00 0.00 C ATOM 1244 CE LYS A 78 -11.872 13.877 3.482 1.00 0.00 C ATOM 1245 NZ LYS A 78 -11.546 14.862 4.550 1.00 0.00 N ATOM 0 H LYS A 78 -9.730 10.078 1.792 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.817 12.260 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.427 11.962 2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.870 13.120 1.278 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.284 14.452 2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.385 13.916 1.271 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.057 12.001 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.121 12.787 4.082 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.170 14.407 2.578 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.724 13.273 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.375 15.463 4.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.286 14.356 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.749 15.456 4.243 1.00 0.00 H new ATOM 1259 N SER A 79 -7.402 10.097 0.457 1.00 0.00 N ATOM 1260 CA SER A 79 -6.251 9.414 -0.121 1.00 0.00 C ATOM 1261 C SER A 79 -6.334 7.910 0.120 1.00 0.00 C ATOM 1262 O SER A 79 -7.232 7.428 0.812 1.00 0.00 O ATOM 1263 CB SER A 79 -4.953 9.966 0.472 1.00 0.00 C ATOM 1264 OG SER A 79 -4.968 9.893 1.888 1.00 0.00 O ATOM 0 H SER A 79 -7.639 9.797 1.403 1.00 0.00 H new ATOM 0 HA SER A 79 -6.256 9.593 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.104 9.403 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.818 11.001 0.159 1.00 0.00 H new ATOM 0 HG SER A 79 -4.127 10.250 2.243 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.392 7.172 -0.457 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.356 5.721 -0.306 1.00 0.00 C ATOM 1272 C LEU A 80 -4.509 5.319 0.896 1.00 0.00 C ATOM 1273 O LEU A 80 -3.285 5.224 0.803 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.804 5.070 -1.575 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.854 3.543 -1.623 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.282 3.062 -1.827 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.948 3.013 -2.725 1.00 0.00 C ATOM 0 H LEU A 80 -4.643 7.554 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.375 5.372 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.359 5.459 -2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.767 5.384 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.495 3.157 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.298 1.973 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.904 3.410 -1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.669 3.458 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.997 1.924 -2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.276 3.408 -3.687 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.922 3.327 -2.535 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.167 5.082 2.025 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.476 4.686 3.247 1.00 0.00 C ATOM 1291 C LYS A 81 -3.766 3.349 3.061 1.00 0.00 C ATOM 1292 O LYS A 81 -4.382 2.358 2.670 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.466 4.593 4.410 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.800 4.389 5.760 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.728 4.768 6.902 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.126 4.408 8.252 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.010 4.813 9.379 1.00 0.00 N ATOM 0 H LYS A 81 -6.180 5.157 2.120 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.728 5.446 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.062 5.505 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.154 3.768 4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.499 3.346 5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.892 4.989 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.932 5.838 6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.683 4.258 6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.950 3.333 8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.156 4.894 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.564 4.550 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.157 5.842 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.927 4.330 9.292 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.468 3.329 3.345 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.676 2.113 3.212 1.00 0.00 C ATOM 1313 C ILE A 82 -0.982 1.762 4.523 1.00 0.00 C ATOM 1314 O ILE A 82 -0.444 2.634 5.206 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.615 2.251 2.104 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.251 2.796 0.823 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.053 0.909 1.840 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.398 1.953 0.312 1.00 0.00 C ATOM 0 H ILE A 82 -1.943 4.141 3.669 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.368 1.314 2.945 1.00 0.00 H new ATOM 0 HB ILE A 82 0.147 2.955 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.609 3.809 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.487 2.864 0.048 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.800 1.023 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.536 0.557 2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.698 0.185 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.800 2.399 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.041 0.946 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.180 1.906 1.069 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.997 0.479 4.869 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.368 0.011 6.099 1.00 0.00 C ATOM 1332 C LEU A 83 0.796 -0.926 5.793 1.00 0.00 C ATOM 1333 O LEU A 83 0.595 -2.081 5.415 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.394 -0.703 6.981 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.446 0.188 7.642 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.818 1.030 8.741 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.121 1.075 6.606 1.00 0.00 C ATOM 0 H LEU A 83 -1.438 -0.255 4.315 1.00 0.00 H new ATOM 0 HA LEU A 83 0.019 0.879 6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.908 -1.449 6.375 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.859 -1.241 7.763 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.205 -0.451 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.582 1.658 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.383 0.376 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.038 1.661 8.315 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.867 1.702 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.374 1.707 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.607 0.452 5.855 1.00 0.00 H new ATOM 1349 N LEU A 84 2.014 -0.422 5.960 1.00 0.00 N ATOM 1350 CA LEU A 84 3.212 -1.214 5.703 1.00 0.00 C ATOM 1351 C LEU A 84 3.441 -2.231 6.817 1.00 0.00 C ATOM 1352 O LEU A 84 3.494 -1.876 7.995 1.00 0.00 O ATOM 1353 CB LEU A 84 4.432 -0.302 5.570 1.00 0.00 C ATOM 1354 CG LEU A 84 4.335 0.800 4.514 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.464 1.804 4.685 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.358 0.201 3.115 1.00 0.00 C ATOM 0 H LEU A 84 2.198 0.531 6.272 1.00 0.00 H new ATOM 0 HA LEU A 84 3.067 -1.754 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.619 0.165 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.300 -0.921 5.342 1.00 0.00 H new ATOM 0 HG LEU A 84 3.388 1.323 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.379 2.581 3.925 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.402 2.256 5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.422 1.296 4.578 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.288 0.999 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.288 -0.348 2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.514 -0.478 2.996 1.00 0.00 H new ATOM 1368 N VAL A 85 3.579 -3.497 6.437 1.00 0.00 N ATOM 1369 CA VAL A 85 3.806 -4.565 7.403 1.00 0.00 C ATOM 1370 C VAL A 85 5.143 -5.255 7.154 1.00 0.00 C ATOM 1371 O VAL A 85 5.422 -5.708 6.044 1.00 0.00 O ATOM 1372 CB VAL A 85 2.681 -5.616 7.353 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.961 -6.744 8.334 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.335 -4.968 7.642 1.00 0.00 C ATOM 0 H VAL A 85 3.538 -3.808 5.467 1.00 0.00 H new ATOM 0 HA VAL A 85 3.817 -4.103 8.390 1.00 0.00 H new ATOM 0 HB VAL A 85 2.646 -6.040 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.156 -7.477 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.905 -7.224 8.077 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.023 -6.340 9.345 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.551 -5.724 7.603 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.354 -4.516 8.634 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.134 -4.198 6.897 1.00 0.00 H new ATOM 1384 N ILE A 86 5.965 -5.332 8.195 1.00 0.00 N ATOM 1385 CA ILE A 86 7.272 -5.969 8.091 1.00 0.00 C ATOM 1386 C ILE A 86 7.144 -7.409 7.605 1.00 0.00 C ATOM 1387 O ILE A 86 6.302 -8.165 8.088 1.00 0.00 O ATOM 1388 CB ILE A 86 8.013 -5.958 9.440 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.191 -4.522 9.938 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.363 -6.649 9.309 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.005 -3.655 9.003 1.00 0.00 C ATOM 0 H ILE A 86 5.749 -4.961 9.120 1.00 0.00 H new ATOM 0 HA ILE A 86 7.847 -5.393 7.366 1.00 0.00 H new ATOM 0 HB ILE A 86 7.415 -6.505 10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.209 -4.070 10.077 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.674 -4.542 10.915 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.875 -6.633 10.271 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.214 -7.682 8.994 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.968 -6.128 8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.090 -2.651 9.419 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.000 -4.084 8.883 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.512 -3.604 8.032 1.00 0.00 H new ATOM 1403 N ASN A 87 7.988 -7.782 6.649 1.00 0.00 N ATOM 1404 CA ASN A 87 7.971 -9.133 6.099 1.00 0.00 C ATOM 1405 C ASN A 87 9.153 -9.946 6.616 1.00 0.00 C ATOM 1406 O ASN A 87 8.982 -11.044 7.144 1.00 0.00 O ATOM 1407 CB ASN A 87 8.001 -9.084 4.570 1.00 0.00 C ATOM 1408 CG ASN A 87 7.677 -10.426 3.942 1.00 0.00 C ATOM 1409 OD1 ASN A 87 7.392 -11.398 4.641 1.00 0.00 O ATOM 1410 ND2 ASN A 87 7.721 -10.484 2.616 1.00 0.00 N ATOM 0 H ASN A 87 8.692 -7.168 6.239 1.00 0.00 H new ATOM 0 HA ASN A 87 7.050 -9.618 6.422 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.286 -8.340 4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.988 -8.760 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.514 -11.360 2.137 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.962 -9.652 2.077 1.00 0.00 H new ATOM 1417 N GLY A 88 10.355 -9.398 6.462 1.00 0.00 N ATOM 1418 CA GLY A 88 11.548 -10.085 6.918 1.00 0.00 C ATOM 1419 C GLY A 88 12.776 -9.197 6.891 1.00 0.00 C ATOM 1420 O GLY A 88 12.676 -7.996 6.638 1.00 0.00 O ATOM 0 H GLY A 88 10.523 -8.490 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.388 -10.448 7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.722 -10.959 6.291 1.00 0.00 H new ATOM 1424 N SER A 89 13.938 -9.787 7.153 1.00 0.00 N ATOM 1425 CA SER A 89 15.190 -9.039 7.162 1.00 0.00 C ATOM 1426 C SER A 89 16.060 -9.421 5.969 1.00 0.00 C ATOM 1427 O SER A 89 16.816 -10.393 6.022 1.00 0.00 O ATOM 1428 CB SER A 89 15.950 -9.293 8.465 1.00 0.00 C ATOM 1429 OG SER A 89 16.908 -8.276 8.704 1.00 0.00 O ATOM 0 H SER A 89 14.039 -10.780 7.362 1.00 0.00 H new ATOM 0 HA SER A 89 14.952 -7.978 7.090 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.247 -9.337 9.297 1.00 0.00 H new ATOM 0 HB3 SER A 89 16.448 -10.261 8.416 1.00 0.00 H new ATOM 0 HG SER A 89 17.379 -8.461 9.543 1.00 0.00 H new ATOM 1435 N THR A 90 15.949 -8.650 4.892 1.00 0.00 N ATOM 1436 CA THR A 90 16.723 -8.907 3.685 1.00 0.00 C ATOM 1437 C THR A 90 16.577 -7.767 2.684 1.00 0.00 C ATOM 1438 O THR A 90 15.470 -7.294 2.427 1.00 0.00 O ATOM 1439 CB THR A 90 16.294 -10.225 3.012 1.00 0.00 C ATOM 1440 OG1 THR A 90 17.191 -10.543 1.941 1.00 0.00 O ATOM 1441 CG2 THR A 90 14.874 -10.121 2.476 1.00 0.00 C ATOM 0 H THR A 90 15.330 -7.842 4.831 1.00 0.00 H new ATOM 0 HA THR A 90 17.766 -8.987 3.990 1.00 0.00 H new ATOM 0 HB THR A 90 16.327 -11.017 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.913 -11.383 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.593 -11.063 2.005 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.190 -9.907 3.297 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.820 -9.318 1.741 1.00 0.00 H new ATOM 1449 N GLN A 91 17.699 -7.331 2.121 1.00 0.00 N ATOM 1450 CA GLN A 91 17.694 -6.246 1.148 1.00 0.00 C ATOM 1451 C GLN A 91 18.915 -6.324 0.238 1.00 0.00 C ATOM 1452 O GLN A 91 19.978 -6.789 0.648 1.00 0.00 O ATOM 1453 CB GLN A 91 17.661 -4.893 1.861 1.00 0.00 C ATOM 1454 CG GLN A 91 18.979 -4.522 2.522 1.00 0.00 C ATOM 1455 CD GLN A 91 20.030 -4.084 1.522 1.00 0.00 C ATOM 1456 OE1 GLN A 91 21.084 -4.710 1.399 1.00 0.00 O ATOM 1457 NE2 GLN A 91 19.750 -3.005 0.801 1.00 0.00 N ATOM 0 H GLN A 91 18.623 -7.713 2.322 1.00 0.00 H new ATOM 0 HA GLN A 91 16.799 -6.348 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 91 17.394 -4.119 1.142 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.876 -4.909 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.808 -3.719 3.239 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.352 -5.378 3.085 1.00 0.00 H new ATOM 0 HE21 GLN A 91 18.864 -2.517 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 91 20.420 -2.664 0.112 1.00 0.00 H new ATOM 1466 N ALA A 92 18.755 -5.868 -1.000 1.00 0.00 N ATOM 1467 CA ALA A 92 19.845 -5.885 -1.968 1.00 0.00 C ATOM 1468 C ALA A 92 19.562 -4.939 -3.130 1.00 0.00 C ATOM 1469 O ALA A 92 18.472 -4.949 -3.702 1.00 0.00 O ATOM 1470 CB ALA A 92 20.073 -7.299 -2.480 1.00 0.00 C ATOM 0 H ALA A 92 17.881 -5.482 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 92 20.750 -5.541 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 92 20.890 -7.297 -3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 92 20.328 -7.952 -1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 92 19.165 -7.663 -2.960 1.00 0.00 H new ATOM 1476 N THR A 93 20.551 -4.120 -3.474 1.00 0.00 N ATOM 1477 CA THR A 93 20.408 -3.166 -4.567 1.00 0.00 C ATOM 1478 C THR A 93 21.662 -3.130 -5.433 1.00 0.00 C ATOM 1479 O THR A 93 22.692 -2.592 -5.029 1.00 0.00 O ATOM 1480 CB THR A 93 20.122 -1.747 -4.040 1.00 0.00 C ATOM 1481 OG1 THR A 93 21.168 -1.333 -3.154 1.00 0.00 O ATOM 1482 CG2 THR A 93 18.786 -1.699 -3.313 1.00 0.00 C ATOM 0 H THR A 93 21.460 -4.098 -3.011 1.00 0.00 H new ATOM 0 HA THR A 93 19.563 -3.500 -5.169 1.00 0.00 H new ATOM 0 HB THR A 93 20.079 -1.069 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 93 22.038 -1.517 -3.566 1.00 0.00 H new ATOM 0 HG21 THR A 93 18.606 -0.687 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 93 17.988 -1.986 -3.998 1.00 0.00 H new ATOM 0 HG23 THR A 93 18.806 -2.389 -2.470 1.00 0.00 H new ATOM 1490 N ASN A 94 21.568 -3.707 -6.627 1.00 0.00 N ATOM 1491 CA ASN A 94 22.696 -3.740 -7.550 1.00 0.00 C ATOM 1492 C ASN A 94 22.751 -2.466 -8.388 1.00 0.00 C ATOM 1493 O ASN A 94 21.868 -2.210 -9.208 1.00 0.00 O ATOM 1494 CB ASN A 94 22.596 -4.962 -8.466 1.00 0.00 C ATOM 1495 CG ASN A 94 21.188 -5.181 -8.986 1.00 0.00 C ATOM 1496 OD1 ASN A 94 20.341 -5.789 -8.163 1.00 0.00 O flip ATOM 1497 ND2 ASN A 94 20.866 -4.808 -10.114 1.00 0.00 N flip ATOM 0 H ASN A 94 20.723 -4.158 -6.977 1.00 0.00 H new ATOM 0 HA ASN A 94 23.612 -3.807 -6.963 1.00 0.00 H new ATOM 0 HB2 ASN A 94 23.276 -4.838 -9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.921 -5.848 -7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 94 21.550 -4.345 -10.713 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.915 -4.962 -10.450 1.00 0.00 H new ATOM 1504 N LEU A 95 23.794 -1.671 -8.177 1.00 0.00 N ATOM 1505 CA LEU A 95 23.966 -0.423 -8.913 1.00 0.00 C ATOM 1506 C LEU A 95 25.163 -0.507 -9.854 1.00 0.00 C ATOM 1507 O LEU A 95 26.298 -0.687 -9.415 1.00 0.00 O ATOM 1508 CB LEU A 95 24.147 0.744 -7.941 1.00 0.00 C ATOM 1509 CG LEU A 95 25.187 0.544 -6.838 1.00 0.00 C ATOM 1510 CD1 LEU A 95 25.669 1.885 -6.308 1.00 0.00 C ATOM 1511 CD2 LEU A 95 24.612 -0.301 -5.710 1.00 0.00 C ATOM 0 H LEU A 95 24.533 -1.868 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 95 23.070 -0.255 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 95 24.421 1.629 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 95 23.185 0.953 -7.472 1.00 0.00 H new ATOM 0 HG LEU A 95 26.041 0.016 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 95 26.408 1.722 -5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 95 26.120 2.456 -7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 95 24.824 2.440 -5.900 1.00 0.00 H new ATOM 0 HD21 LEU A 95 25.366 -0.433 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.741 0.200 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 95 24.317 -1.276 -6.099 1.00 0.00 H new ATOM 1523 N GLU A 96 24.901 -0.372 -11.150 1.00 0.00 N ATOM 1524 CA GLU A 96 25.958 -0.430 -12.153 1.00 0.00 C ATOM 1525 C GLU A 96 25.534 0.284 -13.433 1.00 0.00 C ATOM 1526 O GLU A 96 24.557 -0.084 -14.085 1.00 0.00 O ATOM 1527 CB GLU A 96 26.317 -1.885 -12.463 1.00 0.00 C ATOM 1528 CG GLU A 96 26.888 -2.638 -11.273 1.00 0.00 C ATOM 1529 CD GLU A 96 27.551 -3.943 -11.671 1.00 0.00 C ATOM 1530 OE1 GLU A 96 28.388 -3.925 -12.597 1.00 0.00 O ATOM 1531 OE2 GLU A 96 27.231 -4.981 -11.056 1.00 0.00 O ATOM 0 H GLU A 96 23.966 -0.222 -11.530 1.00 0.00 H new ATOM 0 HA GLU A 96 26.835 0.076 -11.749 1.00 0.00 H new ATOM 0 HB2 GLU A 96 25.425 -2.403 -12.816 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.041 -1.906 -13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 96 27.615 -2.006 -10.763 1.00 0.00 H new ATOM 0 HG3 GLU A 96 26.089 -2.843 -10.560 1.00 0.00 H new ATOM 1538 N PRO A 97 26.286 1.332 -13.802 1.00 0.00 N ATOM 1539 CA PRO A 97 26.009 2.120 -15.006 1.00 0.00 C ATOM 1540 C PRO A 97 26.291 1.342 -16.287 1.00 0.00 C ATOM 1541 O PRO A 97 25.452 1.282 -17.186 1.00 0.00 O ATOM 1542 CB PRO A 97 26.966 3.308 -14.881 1.00 0.00 C ATOM 1543 CG PRO A 97 28.083 2.807 -14.032 1.00 0.00 C ATOM 1544 CD PRO A 97 27.466 1.827 -13.073 1.00 0.00 C ATOM 0 HA PRO A 97 24.959 2.406 -15.073 1.00 0.00 H new ATOM 0 HB2 PRO A 97 27.326 3.631 -15.858 1.00 0.00 H new ATOM 0 HB3 PRO A 97 26.474 4.166 -14.422 1.00 0.00 H new ATOM 0 HG2 PRO A 97 28.851 2.328 -14.640 1.00 0.00 H new ATOM 0 HG3 PRO A 97 28.565 3.626 -13.497 1.00 0.00 H new ATOM 0 HD2 PRO A 97 28.154 1.019 -12.827 1.00 0.00 H new ATOM 0 HD3 PRO A 97 27.187 2.305 -12.134 1.00 0.00 H new ATOM 1552 N SER A 98 27.476 0.746 -16.363 1.00 0.00 N ATOM 1553 CA SER A 98 27.870 -0.026 -17.536 1.00 0.00 C ATOM 1554 C SER A 98 27.477 0.698 -18.820 1.00 0.00 C ATOM 1555 O SER A 98 27.002 0.082 -19.773 1.00 0.00 O ATOM 1556 CB SER A 98 27.223 -1.412 -17.500 1.00 0.00 C ATOM 1557 OG SER A 98 25.813 -1.319 -17.604 1.00 0.00 O ATOM 0 H SER A 98 28.180 0.783 -15.626 1.00 0.00 H new ATOM 0 HA SER A 98 28.954 -0.138 -17.520 1.00 0.00 H new ATOM 0 HB2 SER A 98 27.612 -2.020 -18.317 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.490 -1.917 -16.572 1.00 0.00 H new ATOM 0 HG SER A 98 25.564 -0.408 -17.864 1.00 0.00 H new ATOM 1563 N GLY A 99 27.680 2.012 -18.837 1.00 0.00 N ATOM 1564 CA GLY A 99 27.343 2.800 -20.008 1.00 0.00 C ATOM 1565 C GLY A 99 28.275 3.979 -20.202 1.00 0.00 C ATOM 1566 O GLY A 99 27.988 5.101 -19.783 1.00 0.00 O ATOM 0 H GLY A 99 28.072 2.545 -18.060 1.00 0.00 H new ATOM 0 HA2 GLY A 99 27.378 2.164 -20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 99 26.319 3.162 -19.916 1.00 0.00 H new ATOM 1570 N PRO A 100 29.423 3.731 -20.850 1.00 0.00 N ATOM 1571 CA PRO A 100 30.424 4.768 -21.113 1.00 0.00 C ATOM 1572 C PRO A 100 29.949 5.786 -22.144 1.00 0.00 C ATOM 1573 O PRO A 100 28.895 5.616 -22.757 1.00 0.00 O ATOM 1574 CB PRO A 100 31.620 3.979 -21.653 1.00 0.00 C ATOM 1575 CG PRO A 100 31.026 2.740 -22.231 1.00 0.00 C ATOM 1576 CD PRO A 100 29.830 2.417 -21.378 1.00 0.00 C ATOM 0 HA PRO A 100 30.649 5.352 -20.220 1.00 0.00 H new ATOM 0 HB2 PRO A 100 32.161 4.548 -22.409 1.00 0.00 H new ATOM 0 HB3 PRO A 100 32.331 3.745 -20.860 1.00 0.00 H new ATOM 0 HG2 PRO A 100 30.734 2.895 -23.270 1.00 0.00 H new ATOM 0 HG3 PRO A 100 31.745 1.921 -22.221 1.00 0.00 H new ATOM 0 HD2 PRO A 100 29.034 1.954 -21.961 1.00 0.00 H new ATOM 0 HD3 PRO A 100 30.083 1.723 -20.577 1.00 0.00 H new ATOM 1584 N SER A 101 30.732 6.843 -22.330 1.00 0.00 N ATOM 1585 CA SER A 101 30.388 7.890 -23.285 1.00 0.00 C ATOM 1586 C SER A 101 31.398 7.936 -24.428 1.00 0.00 C ATOM 1587 O SER A 101 32.439 7.281 -24.377 1.00 0.00 O ATOM 1588 CB SER A 101 30.332 9.250 -22.585 1.00 0.00 C ATOM 1589 OG SER A 101 31.545 9.525 -21.907 1.00 0.00 O ATOM 0 H SER A 101 31.609 6.997 -21.832 1.00 0.00 H new ATOM 0 HA SER A 101 29.406 7.661 -23.699 1.00 0.00 H new ATOM 0 HB2 SER A 101 30.136 10.032 -23.318 1.00 0.00 H new ATOM 0 HB3 SER A 101 29.504 9.264 -21.876 1.00 0.00 H new ATOM 0 HG SER A 101 31.484 10.400 -21.470 1.00 0.00 H new ATOM 1595 N SER A 102 31.082 8.715 -25.458 1.00 0.00 N ATOM 1596 CA SER A 102 31.958 8.844 -26.616 1.00 0.00 C ATOM 1597 C SER A 102 32.281 10.309 -26.892 1.00 0.00 C ATOM 1598 O SER A 102 31.466 11.195 -26.639 1.00 0.00 O ATOM 1599 CB SER A 102 31.307 8.213 -27.848 1.00 0.00 C ATOM 1600 OG SER A 102 30.250 9.020 -28.336 1.00 0.00 O ATOM 0 H SER A 102 30.226 9.266 -25.514 1.00 0.00 H new ATOM 0 HA SER A 102 32.888 8.320 -26.397 1.00 0.00 H new ATOM 0 HB2 SER A 102 32.055 8.077 -28.629 1.00 0.00 H new ATOM 0 HB3 SER A 102 30.926 7.223 -27.595 1.00 0.00 H new ATOM 0 HG SER A 102 29.852 8.596 -29.124 1.00 0.00 H new ATOM 1606 N GLY A 103 33.479 10.557 -27.413 1.00 0.00 N ATOM 1607 CA GLY A 103 33.890 11.915 -27.716 1.00 0.00 C ATOM 1608 C GLY A 103 33.965 12.787 -26.478 1.00 0.00 C ATOM 1609 O GLY A 103 34.989 13.417 -26.215 1.00 0.00 O ATOM 0 H GLY A 103 34.172 9.841 -27.631 1.00 0.00 H new ATOM 0 HA2 GLY A 103 34.865 11.896 -28.203 1.00 0.00 H new ATOM 0 HA3 GLY A 103 33.188 12.355 -28.424 1.00 0.00 H new TER 1613 GLY A 103