USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 Single : A 1 GLY N :NH3+ -129:sc= 0.117 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= 0.2 F(o=-1.7,f=0.2) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 4:sc= 0.54 USER MOD Single : A 48 THR OG1 : rot 125:sc= 1.22 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 82:sc= 0.288 USER MOD Single : A 57 SER OG : rot 180:sc= 0.017 USER MOD Single : A 68 LYS NZ :NH3+ -144:sc= -0.308 (180deg=-1.29!) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.498 F(o=-1.6,f=-0.5) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 157:sc= 0.564 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 92 GLN : amide:sc= -3.13! C(o=-3.1!,f=-5!) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc=-0.00646 (180deg=-0.489) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.385 -15.434 23.857 1.00 0.00 N ATOM 2 CA GLY A 1 -25.637 -15.434 22.612 1.00 0.00 C ATOM 3 C GLY A 1 -24.414 -16.348 22.707 1.00 0.00 C ATOM 4 O GLY A 1 -24.291 -17.130 23.649 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.388 -15.625 23.659 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.010 -16.171 24.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.293 -14.506 24.317 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.281 -15.765 21.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.319 -14.419 22.375 1.00 0.00 H new ATOM 8 N SER A 2 -23.541 -16.221 21.718 1.00 0.00 N ATOM 9 CA SER A 2 -22.332 -17.026 21.679 1.00 0.00 C ATOM 10 C SER A 2 -21.718 -17.117 23.077 1.00 0.00 C ATOM 11 O SER A 2 -21.749 -16.151 23.837 1.00 0.00 O ATOM 12 CB SER A 2 -21.318 -16.449 20.690 1.00 0.00 C ATOM 13 OG SER A 2 -21.661 -16.744 19.339 1.00 0.00 O ATOM 0 H SER A 2 -23.647 -15.573 20.938 1.00 0.00 H new ATOM 0 HA SER A 2 -22.599 -18.027 21.341 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.259 -15.369 20.821 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.329 -16.852 20.909 1.00 0.00 H new ATOM 0 HG SER A 2 -20.990 -16.357 18.739 1.00 0.00 H new ATOM 19 N SER A 3 -21.174 -18.288 23.374 1.00 0.00 N ATOM 20 CA SER A 3 -20.554 -18.518 24.668 1.00 0.00 C ATOM 21 C SER A 3 -19.182 -19.170 24.482 1.00 0.00 C ATOM 22 O SER A 3 -18.918 -19.785 23.450 1.00 0.00 O ATOM 23 CB SER A 3 -21.440 -19.393 25.556 1.00 0.00 C ATOM 24 OG SER A 3 -22.504 -18.651 26.145 1.00 0.00 O ATOM 0 H SER A 3 -21.150 -19.087 22.741 1.00 0.00 H new ATOM 0 HA SER A 3 -20.428 -17.555 25.163 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.852 -20.210 24.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.834 -19.843 26.342 1.00 0.00 H new ATOM 0 HG SER A 3 -23.048 -19.245 26.703 1.00 0.00 H new ATOM 30 N GLY A 4 -18.345 -19.012 25.497 1.00 0.00 N ATOM 31 CA GLY A 4 -17.007 -19.577 25.458 1.00 0.00 C ATOM 32 C GLY A 4 -15.983 -18.531 25.012 1.00 0.00 C ATOM 33 O GLY A 4 -16.255 -17.733 24.117 1.00 0.00 O ATOM 0 H GLY A 4 -18.568 -18.501 26.351 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.739 -19.956 26.444 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.987 -20.426 24.774 1.00 0.00 H new ATOM 37 N SER A 5 -14.826 -18.570 25.657 1.00 0.00 N ATOM 38 CA SER A 5 -13.760 -17.636 25.338 1.00 0.00 C ATOM 39 C SER A 5 -14.278 -16.199 25.431 1.00 0.00 C ATOM 40 O SER A 5 -14.956 -15.720 24.524 1.00 0.00 O ATOM 41 CB SER A 5 -13.190 -17.905 23.944 1.00 0.00 C ATOM 42 OG SER A 5 -11.862 -17.408 23.804 1.00 0.00 O ATOM 0 H SER A 5 -14.604 -19.234 26.399 1.00 0.00 H new ATOM 0 HA SER A 5 -12.957 -17.774 26.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.198 -18.978 23.750 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.831 -17.441 23.195 1.00 0.00 H new ATOM 0 HG SER A 5 -11.534 -17.601 22.901 1.00 0.00 H new ATOM 48 N SER A 6 -13.938 -15.553 26.537 1.00 0.00 N ATOM 49 CA SER A 6 -14.360 -14.180 26.760 1.00 0.00 C ATOM 50 C SER A 6 -13.345 -13.214 26.146 1.00 0.00 C ATOM 51 O SER A 6 -12.202 -13.589 25.890 1.00 0.00 O ATOM 52 CB SER A 6 -14.530 -13.893 28.254 1.00 0.00 C ATOM 53 OG SER A 6 -15.690 -13.108 28.517 1.00 0.00 O ATOM 0 H SER A 6 -13.376 -15.954 27.288 1.00 0.00 H new ATOM 0 HA SER A 6 -15.326 -14.036 26.277 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.598 -14.835 28.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.648 -13.372 28.626 1.00 0.00 H new ATOM 0 HG SER A 6 -15.765 -12.948 29.481 1.00 0.00 H new ATOM 59 N GLY A 7 -13.800 -11.989 25.928 1.00 0.00 N ATOM 60 CA GLY A 7 -12.946 -10.966 25.349 1.00 0.00 C ATOM 61 C GLY A 7 -13.768 -9.755 24.901 1.00 0.00 C ATOM 62 O GLY A 7 -13.889 -9.490 23.706 1.00 0.00 O ATOM 0 H GLY A 7 -14.749 -11.682 26.142 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.200 -10.654 26.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.405 -11.378 24.497 1.00 0.00 H new ATOM 66 N PHE A 8 -14.310 -9.052 25.885 1.00 0.00 N ATOM 67 CA PHE A 8 -15.116 -7.875 25.608 1.00 0.00 C ATOM 68 C PHE A 8 -14.348 -6.594 25.938 1.00 0.00 C ATOM 69 O PHE A 8 -13.764 -6.476 27.014 1.00 0.00 O ATOM 70 CB PHE A 8 -16.354 -7.960 26.504 1.00 0.00 C ATOM 71 CG PHE A 8 -17.235 -6.710 26.467 1.00 0.00 C ATOM 72 CD1 PHE A 8 -18.239 -6.613 25.555 1.00 0.00 C ATOM 73 CD2 PHE A 8 -17.014 -5.695 27.345 1.00 0.00 C ATOM 74 CE1 PHE A 8 -19.058 -5.453 25.520 1.00 0.00 C ATOM 75 CE2 PHE A 8 -17.833 -4.535 27.311 1.00 0.00 C ATOM 76 CZ PHE A 8 -18.837 -4.438 26.399 1.00 0.00 C ATOM 0 H PHE A 8 -14.207 -9.275 26.875 1.00 0.00 H new ATOM 0 HA PHE A 8 -15.380 -7.845 24.551 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -16.950 -8.821 26.202 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -16.035 -8.137 27.531 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -18.414 -7.418 24.857 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -16.216 -5.771 28.068 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -19.856 -5.377 24.796 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -17.658 -3.730 28.009 1.00 0.00 H new ATOM 0 HZ PHE A 8 -19.459 -3.555 26.372 1.00 0.00 H new ATOM 86 N PHE A 9 -14.374 -5.666 24.992 1.00 0.00 N ATOM 87 CA PHE A 9 -13.687 -4.398 25.170 1.00 0.00 C ATOM 88 C PHE A 9 -14.069 -3.409 24.067 1.00 0.00 C ATOM 89 O PHE A 9 -14.067 -3.758 22.887 1.00 0.00 O ATOM 90 CB PHE A 9 -12.187 -4.686 25.083 1.00 0.00 C ATOM 91 CG PHE A 9 -11.355 -3.980 26.156 1.00 0.00 C ATOM 92 CD1 PHE A 9 -11.268 -2.623 26.165 1.00 0.00 C ATOM 93 CD2 PHE A 9 -10.702 -4.710 27.099 1.00 0.00 C ATOM 94 CE1 PHE A 9 -10.496 -1.968 27.161 1.00 0.00 C ATOM 95 CE2 PHE A 9 -9.930 -4.055 28.095 1.00 0.00 C ATOM 96 CZ PHE A 9 -9.843 -2.698 28.104 1.00 0.00 C ATOM 0 H PHE A 9 -14.860 -5.767 24.101 1.00 0.00 H new ATOM 0 HA PHE A 9 -13.962 -3.957 26.128 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -12.029 -5.761 25.164 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.826 -4.384 24.100 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -11.786 -2.044 25.415 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -10.770 -5.788 27.091 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -10.428 -0.890 27.169 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.412 -4.634 28.845 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.255 -2.200 28.861 1.00 0.00 H new ATOM 106 N LYS A 10 -14.388 -2.194 24.490 1.00 0.00 N ATOM 107 CA LYS A 10 -14.772 -1.152 23.552 1.00 0.00 C ATOM 108 C LYS A 10 -13.874 -1.229 22.316 1.00 0.00 C ATOM 109 O LYS A 10 -12.670 -1.451 22.432 1.00 0.00 O ATOM 110 CB LYS A 10 -14.760 0.215 24.238 1.00 0.00 C ATOM 111 CG LYS A 10 -13.557 0.349 25.174 1.00 0.00 C ATOM 112 CD LYS A 10 -12.982 1.766 25.130 1.00 0.00 C ATOM 113 CE LYS A 10 -12.995 2.407 26.519 1.00 0.00 C ATOM 114 NZ LYS A 10 -11.636 2.399 27.106 1.00 0.00 N ATOM 0 H LYS A 10 -14.388 -1.908 25.469 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.796 -1.303 23.211 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.729 1.003 23.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.682 0.350 24.804 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.856 0.106 26.194 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.788 -0.368 24.888 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.961 1.736 24.749 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.563 2.377 24.438 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.362 3.431 26.450 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -13.682 1.866 27.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.662 2.838 28.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.300 1.418 27.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.990 2.935 26.493 1.00 0.00 H new ATOM 128 N GLY A 11 -14.494 -1.039 21.161 1.00 0.00 N ATOM 129 CA GLY A 11 -13.766 -1.084 19.904 1.00 0.00 C ATOM 130 C GLY A 11 -14.687 -1.488 18.751 1.00 0.00 C ATOM 131 O GLY A 11 -14.970 -2.670 18.563 1.00 0.00 O ATOM 0 H GLY A 11 -15.493 -0.853 21.069 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.327 -0.108 19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.942 -1.794 19.982 1.00 0.00 H new ATOM 135 N ALA A 12 -15.129 -0.483 18.009 1.00 0.00 N ATOM 136 CA ALA A 12 -16.012 -0.719 16.879 1.00 0.00 C ATOM 137 C ALA A 12 -15.230 -0.532 15.578 1.00 0.00 C ATOM 138 O ALA A 12 -14.900 0.592 15.204 1.00 0.00 O ATOM 139 CB ALA A 12 -17.221 0.214 16.972 1.00 0.00 C ATOM 0 H ALA A 12 -14.892 0.496 18.168 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.388 -1.742 16.893 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.883 0.037 16.125 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -17.759 0.021 17.900 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -16.883 1.250 16.958 1.00 0.00 H new ATOM 145 N ALA A 13 -14.955 -1.651 14.924 1.00 0.00 N ATOM 146 CA ALA A 13 -14.218 -1.624 13.672 1.00 0.00 C ATOM 147 C ALA A 13 -12.795 -1.127 13.934 1.00 0.00 C ATOM 148 O ALA A 13 -12.502 0.053 13.750 1.00 0.00 O ATOM 149 CB ALA A 13 -14.963 -0.752 12.659 1.00 0.00 C ATOM 0 H ALA A 13 -15.229 -2.582 15.238 1.00 0.00 H new ATOM 0 HA ALA A 13 -14.145 -2.626 13.248 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.410 -0.732 11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.957 -1.164 12.486 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.053 0.262 13.049 1.00 0.00 H new ATOM 155 N SER A 14 -11.948 -2.053 14.360 1.00 0.00 N ATOM 156 CA SER A 14 -10.563 -1.724 14.649 1.00 0.00 C ATOM 157 C SER A 14 -9.633 -2.744 13.989 1.00 0.00 C ATOM 158 O SER A 14 -10.096 -3.691 13.353 1.00 0.00 O ATOM 159 CB SER A 14 -10.311 -1.675 16.157 1.00 0.00 C ATOM 160 OG SER A 14 -10.545 -2.937 16.778 1.00 0.00 O ATOM 0 H SER A 14 -12.195 -3.031 14.512 1.00 0.00 H new ATOM 0 HA SER A 14 -10.355 -0.735 14.241 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.283 -1.364 16.343 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.958 -0.923 16.609 1.00 0.00 H new ATOM 0 HG SER A 14 -10.372 -2.865 17.740 1.00 0.00 H new ATOM 166 N SER A 15 -8.339 -2.517 14.161 1.00 0.00 N ATOM 167 CA SER A 15 -7.341 -3.405 13.590 1.00 0.00 C ATOM 168 C SER A 15 -7.442 -3.392 12.063 1.00 0.00 C ATOM 169 O SER A 15 -8.422 -3.875 11.498 1.00 0.00 O ATOM 170 CB SER A 15 -7.504 -4.831 14.120 1.00 0.00 C ATOM 171 OG SER A 15 -7.288 -4.905 15.527 1.00 0.00 O ATOM 0 H SER A 15 -7.959 -1.731 14.688 1.00 0.00 H new ATOM 0 HA SER A 15 -6.355 -3.047 13.886 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.506 -5.192 13.887 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.801 -5.490 13.610 1.00 0.00 H new ATOM 0 HG SER A 15 -7.403 -5.831 15.827 1.00 0.00 H new ATOM 177 N VAL A 16 -6.415 -2.834 11.439 1.00 0.00 N ATOM 178 CA VAL A 16 -6.375 -2.752 9.989 1.00 0.00 C ATOM 179 C VAL A 16 -7.587 -1.960 9.494 1.00 0.00 C ATOM 180 O VAL A 16 -8.626 -1.934 10.151 1.00 0.00 O ATOM 181 CB VAL A 16 -6.292 -4.157 9.387 1.00 0.00 C ATOM 182 CG1 VAL A 16 -6.537 -4.122 7.877 1.00 0.00 C ATOM 183 CG2 VAL A 16 -4.949 -4.813 9.710 1.00 0.00 C ATOM 0 H VAL A 16 -5.604 -2.434 11.911 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.482 -2.219 9.661 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.077 -4.762 9.839 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.472 -5.133 7.474 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.529 -3.715 7.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.785 -3.493 7.401 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.916 -5.810 9.271 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.141 -4.208 9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.832 -4.889 10.791 1.00 0.00 H new ATOM 193 N LEU A 17 -7.413 -1.335 8.339 1.00 0.00 N ATOM 194 CA LEU A 17 -8.480 -0.544 7.749 1.00 0.00 C ATOM 195 C LEU A 17 -9.359 -1.448 6.882 1.00 0.00 C ATOM 196 O LEU A 17 -8.920 -2.509 6.441 1.00 0.00 O ATOM 197 CB LEU A 17 -7.903 0.657 6.997 1.00 0.00 C ATOM 198 CG LEU A 17 -7.318 1.773 7.864 1.00 0.00 C ATOM 199 CD1 LEU A 17 -6.316 2.615 7.072 1.00 0.00 C ATOM 200 CD2 LEU A 17 -8.427 2.629 8.479 1.00 0.00 C ATOM 0 H LEU A 17 -6.550 -1.360 7.796 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.120 -0.127 8.526 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.123 0.299 6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.690 1.083 6.374 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.772 1.314 8.688 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.915 3.401 7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.501 1.980 6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.816 3.065 6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.983 3.415 9.090 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.022 3.080 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.067 2.003 9.101 1.00 0.00 H new ATOM 212 N GLU A 18 -10.584 -0.994 6.662 1.00 0.00 N ATOM 213 CA GLU A 18 -11.528 -1.749 5.856 1.00 0.00 C ATOM 214 C GLU A 18 -11.679 -1.107 4.475 1.00 0.00 C ATOM 215 O GLU A 18 -12.128 0.033 4.362 1.00 0.00 O ATOM 216 CB GLU A 18 -12.883 -1.861 6.558 1.00 0.00 C ATOM 217 CG GLU A 18 -12.781 -2.739 7.807 1.00 0.00 C ATOM 218 CD GLU A 18 -14.000 -2.548 8.712 1.00 0.00 C ATOM 219 OE1 GLU A 18 -15.123 -2.573 8.165 1.00 0.00 O ATOM 220 OE2 GLU A 18 -13.780 -2.382 9.932 1.00 0.00 O ATOM 0 H GLU A 18 -10.945 -0.113 7.028 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.138 -2.759 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -13.237 -0.868 6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.619 -2.282 5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.701 -3.786 7.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -11.873 -2.492 8.357 1.00 0.00 H new ATOM 227 N LEU A 19 -11.294 -1.866 3.459 1.00 0.00 N ATOM 228 CA LEU A 19 -11.381 -1.386 2.091 1.00 0.00 C ATOM 229 C LEU A 19 -12.843 -1.089 1.750 1.00 0.00 C ATOM 230 O LEU A 19 -13.709 -1.136 2.623 1.00 0.00 O ATOM 231 CB LEU A 19 -10.714 -2.375 1.133 1.00 0.00 C ATOM 232 CG LEU A 19 -9.184 -2.391 1.142 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.619 -1.075 0.604 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.648 -2.717 2.538 1.00 0.00 C ATOM 0 H LEU A 19 -10.921 -2.810 3.557 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.832 -0.451 1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.069 -3.377 1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -11.049 -2.151 0.120 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.846 -3.183 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.530 -1.113 0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.961 -0.924 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.963 -0.250 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.558 -2.722 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.994 -1.964 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.010 -3.698 2.847 1.00 0.00 H new ATOM 246 N THR A 20 -13.072 -0.791 0.480 1.00 0.00 N ATOM 247 CA THR A 20 -14.414 -0.488 0.013 1.00 0.00 C ATOM 248 C THR A 20 -14.584 -0.925 -1.443 1.00 0.00 C ATOM 249 O THR A 20 -13.601 -1.150 -2.146 1.00 0.00 O ATOM 250 CB THR A 20 -14.664 1.006 0.233 1.00 0.00 C ATOM 251 OG1 THR A 20 -13.905 1.639 -0.793 1.00 0.00 O ATOM 252 CG2 THR A 20 -14.039 1.520 1.531 1.00 0.00 C ATOM 0 H THR A 20 -12.351 -0.753 -0.240 1.00 0.00 H new ATOM 0 HA THR A 20 -15.164 -1.045 0.575 1.00 0.00 H new ATOM 0 HB THR A 20 -15.737 1.196 0.248 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.011 2.611 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.246 2.585 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.464 0.981 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.961 1.361 1.504 1.00 0.00 H new ATOM 260 N GLU A 21 -15.840 -1.032 -1.852 1.00 0.00 N ATOM 261 CA GLU A 21 -16.152 -1.438 -3.212 1.00 0.00 C ATOM 262 C GLU A 21 -15.199 -0.761 -4.200 1.00 0.00 C ATOM 263 O GLU A 21 -14.854 -1.338 -5.230 1.00 0.00 O ATOM 264 CB GLU A 21 -17.610 -1.128 -3.556 1.00 0.00 C ATOM 265 CG GLU A 21 -18.201 -2.210 -4.463 1.00 0.00 C ATOM 266 CD GLU A 21 -19.160 -1.602 -5.488 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.026 -0.811 -5.056 1.00 0.00 O ATOM 268 OE2 GLU A 21 -19.005 -1.942 -6.681 1.00 0.00 O ATOM 0 H GLU A 21 -16.653 -0.845 -1.266 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.017 -2.517 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.196 -1.056 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.673 -0.159 -4.051 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.398 -2.736 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.729 -2.948 -3.859 1.00 0.00 H new ATOM 275 N ALA A 22 -14.803 0.454 -3.851 1.00 0.00 N ATOM 276 CA ALA A 22 -13.897 1.216 -4.694 1.00 0.00 C ATOM 277 C ALA A 22 -12.455 0.942 -4.265 1.00 0.00 C ATOM 278 O ALA A 22 -11.654 0.438 -5.051 1.00 0.00 O ATOM 279 CB ALA A 22 -14.256 2.702 -4.618 1.00 0.00 C ATOM 0 H ALA A 22 -15.093 0.930 -2.996 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.994 0.910 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.576 3.273 -5.250 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.280 2.847 -4.962 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.168 3.045 -3.587 1.00 0.00 H new ATOM 285 N GLU A 23 -12.167 1.286 -3.018 1.00 0.00 N ATOM 286 CA GLU A 23 -10.835 1.083 -2.474 1.00 0.00 C ATOM 287 C GLU A 23 -10.312 -0.304 -2.854 1.00 0.00 C ATOM 288 O GLU A 23 -9.161 -0.446 -3.264 1.00 0.00 O ATOM 289 CB GLU A 23 -10.827 1.276 -0.956 1.00 0.00 C ATOM 290 CG GLU A 23 -10.465 2.716 -0.588 1.00 0.00 C ATOM 291 CD GLU A 23 -10.965 3.066 0.815 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.593 2.325 1.751 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.708 4.065 0.919 1.00 0.00 O ATOM 0 H GLU A 23 -12.834 1.704 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.170 1.831 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.808 1.029 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.111 0.590 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.384 2.846 -0.636 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.901 3.401 -1.315 1.00 0.00 H new ATOM 300 N LEU A 24 -11.183 -1.291 -2.703 1.00 0.00 N ATOM 301 CA LEU A 24 -10.823 -2.662 -3.025 1.00 0.00 C ATOM 302 C LEU A 24 -10.194 -2.705 -4.418 1.00 0.00 C ATOM 303 O LEU A 24 -9.123 -3.283 -4.602 1.00 0.00 O ATOM 304 CB LEU A 24 -12.034 -3.584 -2.867 1.00 0.00 C ATOM 305 CG LEU A 24 -12.208 -4.234 -1.493 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.472 -5.095 -1.450 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.960 -5.026 -1.099 1.00 0.00 C ATOM 0 H LEU A 24 -12.137 -1.169 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.074 -3.035 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.934 -3.011 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.964 -4.374 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.333 -3.443 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.572 -5.545 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.343 -4.473 -1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.403 -5.881 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -11.110 -5.478 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.778 -5.809 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.101 -4.356 -1.062 1.00 0.00 H new ATOM 319 N VAL A 25 -10.885 -2.087 -5.365 1.00 0.00 N ATOM 320 CA VAL A 25 -10.407 -2.049 -6.736 1.00 0.00 C ATOM 321 C VAL A 25 -9.010 -1.424 -6.767 1.00 0.00 C ATOM 322 O VAL A 25 -8.089 -1.985 -7.358 1.00 0.00 O ATOM 323 CB VAL A 25 -11.413 -1.309 -7.620 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.861 -1.116 -9.035 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.757 -2.039 -7.651 1.00 0.00 C ATOM 0 H VAL A 25 -11.772 -1.609 -5.209 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.321 -3.058 -7.139 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.578 -0.323 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.595 -0.588 -9.643 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.941 -0.534 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.654 -2.089 -9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.454 -1.492 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.616 -3.044 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.160 -2.102 -6.640 1.00 0.00 H new ATOM 335 N THR A 26 -8.898 -0.271 -6.124 1.00 0.00 N ATOM 336 CA THR A 26 -7.630 0.436 -6.071 1.00 0.00 C ATOM 337 C THR A 26 -6.544 -0.461 -5.473 1.00 0.00 C ATOM 338 O THR A 26 -5.432 -0.527 -5.994 1.00 0.00 O ATOM 339 CB THR A 26 -7.845 1.734 -5.290 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.326 2.652 -6.268 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.530 2.354 -4.812 1.00 0.00 C ATOM 0 H THR A 26 -9.665 0.191 -5.635 1.00 0.00 H new ATOM 0 HA THR A 26 -7.279 0.695 -7.070 1.00 0.00 H new ATOM 0 HB THR A 26 -8.488 1.539 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.494 3.521 -5.847 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.739 3.273 -4.264 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.013 1.651 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.901 2.581 -5.673 1.00 0.00 H new ATOM 349 N ALA A 27 -6.905 -1.128 -4.387 1.00 0.00 N ATOM 350 CA ALA A 27 -5.976 -2.018 -3.712 1.00 0.00 C ATOM 351 C ALA A 27 -5.494 -3.087 -4.696 1.00 0.00 C ATOM 352 O ALA A 27 -4.366 -3.566 -4.594 1.00 0.00 O ATOM 353 CB ALA A 27 -6.651 -2.623 -2.480 1.00 0.00 C ATOM 0 H ALA A 27 -7.828 -1.070 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.101 -1.468 -3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.954 -3.291 -1.974 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.948 -1.825 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.533 -3.185 -2.787 1.00 0.00 H new ATOM 359 N GLU A 28 -6.373 -3.429 -5.626 1.00 0.00 N ATOM 360 CA GLU A 28 -6.052 -4.431 -6.628 1.00 0.00 C ATOM 361 C GLU A 28 -5.145 -3.833 -7.706 1.00 0.00 C ATOM 362 O GLU A 28 -4.306 -4.531 -8.273 1.00 0.00 O ATOM 363 CB GLU A 28 -7.323 -5.018 -7.244 1.00 0.00 C ATOM 364 CG GLU A 28 -7.869 -6.163 -6.388 1.00 0.00 C ATOM 365 CD GLU A 28 -7.851 -7.483 -7.163 1.00 0.00 C ATOM 366 OE1 GLU A 28 -8.662 -7.597 -8.107 1.00 0.00 O ATOM 367 OE2 GLU A 28 -7.027 -8.347 -6.793 1.00 0.00 O ATOM 0 H GLU A 28 -7.308 -3.030 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.515 -5.245 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.079 -4.238 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.110 -5.381 -8.250 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.272 -6.261 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.888 -5.934 -6.075 1.00 0.00 H new ATOM 374 N ALA A 29 -5.345 -2.548 -7.955 1.00 0.00 N ATOM 375 CA ALA A 29 -4.556 -1.848 -8.955 1.00 0.00 C ATOM 376 C ALA A 29 -3.101 -1.772 -8.489 1.00 0.00 C ATOM 377 O ALA A 29 -2.180 -1.945 -9.286 1.00 0.00 O ATOM 378 CB ALA A 29 -5.161 -0.465 -9.206 1.00 0.00 C ATOM 0 H ALA A 29 -6.042 -1.973 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.571 -2.387 -9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.569 0.060 -9.956 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.185 -0.575 -9.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.160 0.106 -8.278 1.00 0.00 H new ATOM 384 N VAL A 30 -2.939 -1.514 -7.199 1.00 0.00 N ATOM 385 CA VAL A 30 -1.611 -1.413 -6.618 1.00 0.00 C ATOM 386 C VAL A 30 -0.931 -2.783 -6.670 1.00 0.00 C ATOM 387 O VAL A 30 0.271 -2.874 -6.916 1.00 0.00 O ATOM 388 CB VAL A 30 -1.703 -0.845 -5.200 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.440 -1.167 -4.398 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.966 0.662 -5.229 1.00 0.00 C ATOM 0 H VAL A 30 -3.705 -1.372 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.994 -0.722 -7.192 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.547 -1.322 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.531 -0.752 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.315 -2.248 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.427 -0.730 -4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.027 1.040 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.153 1.163 -5.754 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.906 0.857 -5.745 1.00 0.00 H new ATOM 400 N ARG A 31 -1.729 -3.814 -6.435 1.00 0.00 N ATOM 401 CA ARG A 31 -1.219 -5.174 -6.452 1.00 0.00 C ATOM 402 C ARG A 31 -0.556 -5.476 -7.798 1.00 0.00 C ATOM 403 O ARG A 31 0.515 -6.079 -7.845 1.00 0.00 O ATOM 404 CB ARG A 31 -2.340 -6.186 -6.205 1.00 0.00 C ATOM 405 CG ARG A 31 -1.769 -7.562 -5.854 1.00 0.00 C ATOM 406 CD ARG A 31 -2.559 -8.208 -4.715 1.00 0.00 C ATOM 407 NE ARG A 31 -3.539 -9.173 -5.262 1.00 0.00 N ATOM 408 CZ ARG A 31 -4.040 -10.207 -4.574 1.00 0.00 C ATOM 409 NH1 ARG A 31 -3.656 -10.419 -3.308 1.00 0.00 N ATOM 410 NH2 ARG A 31 -4.925 -11.031 -5.152 1.00 0.00 N ATOM 0 H ARG A 31 -2.725 -3.735 -6.232 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.483 -5.262 -5.653 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.979 -5.836 -5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.967 -6.264 -7.093 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.797 -8.207 -6.733 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.723 -7.463 -5.565 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.878 -8.716 -4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.075 -7.440 -4.138 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.853 -9.042 -6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.982 -9.793 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.038 -11.207 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.217 -10.871 -6.116 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.306 -11.818 -4.628 1.00 0.00 H new ATOM 424 N SER A 32 -1.221 -5.042 -8.859 1.00 0.00 N ATOM 425 CA SER A 32 -0.710 -5.258 -10.202 1.00 0.00 C ATOM 426 C SER A 32 0.688 -4.650 -10.334 1.00 0.00 C ATOM 427 O SER A 32 1.540 -5.191 -11.037 1.00 0.00 O ATOM 428 CB SER A 32 -1.650 -4.660 -11.251 1.00 0.00 C ATOM 429 OG SER A 32 -1.345 -5.121 -12.565 1.00 0.00 O ATOM 0 H SER A 32 -2.109 -4.542 -8.816 1.00 0.00 H new ATOM 0 HA SER A 32 -0.650 -6.332 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.680 -4.920 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.580 -3.573 -11.223 1.00 0.00 H new ATOM 0 HG SER A 32 -1.968 -4.718 -13.206 1.00 0.00 H new ATOM 435 N VAL A 33 0.880 -3.534 -9.646 1.00 0.00 N ATOM 436 CA VAL A 33 2.160 -2.847 -9.678 1.00 0.00 C ATOM 437 C VAL A 33 3.248 -3.779 -9.138 1.00 0.00 C ATOM 438 O VAL A 33 4.251 -4.021 -9.807 1.00 0.00 O ATOM 439 CB VAL A 33 2.066 -1.529 -8.908 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.369 -0.734 -9.019 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.874 -0.698 -9.388 1.00 0.00 C ATOM 0 H VAL A 33 0.171 -3.089 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 33 2.430 -2.591 -10.702 1.00 0.00 H new ATOM 0 HB VAL A 33 1.908 -1.766 -7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.275 0.199 -8.463 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.190 -1.321 -8.607 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.572 -0.512 -10.067 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.830 0.234 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.989 -0.476 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.047 -1.260 -9.233 1.00 0.00 H new ATOM 451 N TRP A 34 3.011 -4.275 -7.932 1.00 0.00 N ATOM 452 CA TRP A 34 3.958 -5.174 -7.294 1.00 0.00 C ATOM 453 C TRP A 34 4.223 -6.338 -8.252 1.00 0.00 C ATOM 454 O TRP A 34 5.364 -6.576 -8.644 1.00 0.00 O ATOM 455 CB TRP A 34 3.445 -5.630 -5.927 1.00 0.00 C ATOM 456 CG TRP A 34 3.414 -4.521 -4.873 1.00 0.00 C ATOM 457 CD1 TRP A 34 3.060 -3.238 -5.035 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.765 -4.649 -3.479 1.00 0.00 C ATOM 459 NE1 TRP A 34 3.158 -2.533 -3.853 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.600 -3.419 -2.877 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.209 -5.768 -2.752 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.855 -3.189 -1.519 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.459 -5.522 -1.397 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.298 -4.289 -0.775 1.00 0.00 C ATOM 0 H TRP A 34 2.178 -4.071 -7.380 1.00 0.00 H new ATOM 0 HA TRP A 34 4.901 -4.664 -7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.440 -6.034 -6.044 1.00 0.00 H new ATOM 0 HB3 TRP A 34 4.075 -6.443 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.738 -2.810 -5.973 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.945 -1.544 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.346 -6.740 -3.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.717 -2.216 -1.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.801 -6.348 -0.792 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.514 -4.180 0.278 1.00 0.00 H new ATOM 475 N GLN A 35 3.149 -7.032 -8.600 1.00 0.00 N ATOM 476 CA GLN A 35 3.251 -8.165 -9.504 1.00 0.00 C ATOM 477 C GLN A 35 4.073 -7.787 -10.738 1.00 0.00 C ATOM 478 O GLN A 35 5.117 -8.382 -10.999 1.00 0.00 O ATOM 479 CB GLN A 35 1.865 -8.675 -9.903 1.00 0.00 C ATOM 480 CG GLN A 35 1.244 -9.508 -8.780 1.00 0.00 C ATOM 481 CD GLN A 35 1.343 -11.004 -9.088 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.590 -11.464 -9.140 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 0.353 -11.694 -9.267 1.00 0.00 N flip ATOM 0 H GLN A 35 2.204 -6.831 -8.272 1.00 0.00 H new ATOM 0 HA GLN A 35 3.764 -8.975 -8.984 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.216 -7.831 -10.136 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.942 -9.278 -10.808 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.751 -9.292 -7.839 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.199 -9.228 -8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.576 -11.277 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.454 -12.688 -9.471 1.00 0.00 H new ATOM 492 N ARG A 36 3.569 -6.800 -11.465 1.00 0.00 N ATOM 493 CA ARG A 36 4.243 -6.335 -12.665 1.00 0.00 C ATOM 494 C ARG A 36 5.733 -6.122 -12.389 1.00 0.00 C ATOM 495 O ARG A 36 6.581 -6.563 -13.164 1.00 0.00 O ATOM 496 CB ARG A 36 3.633 -5.026 -13.168 1.00 0.00 C ATOM 497 CG ARG A 36 2.369 -5.290 -13.989 1.00 0.00 C ATOM 498 CD ARG A 36 2.290 -4.349 -15.193 1.00 0.00 C ATOM 499 NE ARG A 36 2.447 -5.119 -16.448 1.00 0.00 N ATOM 500 CZ ARG A 36 2.827 -4.582 -17.615 1.00 0.00 C ATOM 501 NH1 ARG A 36 3.092 -3.271 -17.696 1.00 0.00 N ATOM 502 NH2 ARG A 36 2.943 -5.357 -18.702 1.00 0.00 N ATOM 0 H ARG A 36 2.702 -6.310 -11.246 1.00 0.00 H new ATOM 0 HA ARG A 36 4.117 -7.099 -13.432 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.393 -4.383 -12.321 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.362 -4.492 -13.777 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.363 -6.325 -14.331 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.488 -5.157 -13.360 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.333 -3.826 -15.194 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.068 -3.589 -15.123 1.00 0.00 H new ATOM 0 HE ARG A 36 2.254 -6.120 -16.422 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.004 -2.681 -16.869 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.381 -2.863 -18.585 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.742 -6.355 -18.641 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.232 -4.949 -19.591 1.00 0.00 H new ATOM 516 N ILE A 37 6.007 -5.447 -11.282 1.00 0.00 N ATOM 517 CA ILE A 37 7.379 -5.171 -10.894 1.00 0.00 C ATOM 518 C ILE A 37 8.089 -6.487 -10.574 1.00 0.00 C ATOM 519 O ILE A 37 8.922 -6.952 -11.351 1.00 0.00 O ATOM 520 CB ILE A 37 7.418 -4.157 -9.749 1.00 0.00 C ATOM 521 CG1 ILE A 37 6.975 -2.772 -10.227 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.801 -4.122 -9.095 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.093 -1.741 -9.103 1.00 0.00 C ATOM 0 H ILE A 37 5.301 -5.083 -10.642 1.00 0.00 H new ATOM 0 HA ILE A 37 7.922 -4.708 -11.718 1.00 0.00 H new ATOM 0 HB ILE A 37 6.708 -4.476 -8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.587 -2.463 -11.075 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.944 -2.817 -10.578 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.802 -3.393 -8.284 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.040 -5.108 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.547 -3.840 -9.837 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.772 -0.766 -9.469 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.461 -2.041 -8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.130 -1.681 -8.772 1.00 0.00 H new ATOM 535 N LEU A 38 7.734 -7.051 -9.429 1.00 0.00 N ATOM 536 CA LEU A 38 8.327 -8.305 -8.997 1.00 0.00 C ATOM 537 C LEU A 38 8.006 -9.396 -10.021 1.00 0.00 C ATOM 538 O LEU A 38 6.855 -9.811 -10.151 1.00 0.00 O ATOM 539 CB LEU A 38 7.881 -8.647 -7.574 1.00 0.00 C ATOM 540 CG LEU A 38 8.143 -7.575 -6.513 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.162 -7.707 -5.347 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.599 -7.612 -6.045 1.00 0.00 C ATOM 0 H LEU A 38 7.043 -6.662 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 38 9.413 -8.217 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.812 -8.860 -7.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.384 -9.564 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 38 7.975 -6.598 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.370 -6.934 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.142 -7.593 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.274 -8.689 -4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.759 -6.841 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.818 -8.590 -5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.259 -7.432 -6.894 1.00 0.00 H new ATOM 554 N PRO A 39 9.071 -9.841 -10.739 1.00 0.00 N ATOM 555 CA PRO A 39 8.914 -10.876 -11.748 1.00 0.00 C ATOM 556 C PRO A 39 8.733 -12.250 -11.099 1.00 0.00 C ATOM 557 O PRO A 39 7.642 -12.818 -11.133 1.00 0.00 O ATOM 558 CB PRO A 39 10.166 -10.784 -12.605 1.00 0.00 C ATOM 559 CG PRO A 39 11.185 -10.022 -11.773 1.00 0.00 C ATOM 560 CD PRO A 39 10.448 -9.374 -10.612 1.00 0.00 C ATOM 0 HA PRO A 39 8.020 -10.738 -12.357 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.536 -11.776 -12.864 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.961 -10.266 -13.542 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.959 -10.696 -11.405 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.683 -9.265 -12.379 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.879 -9.669 -9.655 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.504 -8.287 -10.665 1.00 0.00 H new ATOM 568 N LYS A 40 9.819 -12.745 -10.524 1.00 0.00 N ATOM 569 CA LYS A 40 9.793 -14.042 -9.869 1.00 0.00 C ATOM 570 C LYS A 40 8.478 -14.196 -9.102 1.00 0.00 C ATOM 571 O LYS A 40 7.854 -15.255 -9.140 1.00 0.00 O ATOM 572 CB LYS A 40 11.038 -14.227 -8.999 1.00 0.00 C ATOM 573 CG LYS A 40 12.304 -14.275 -9.856 1.00 0.00 C ATOM 574 CD LYS A 40 13.469 -14.892 -9.080 1.00 0.00 C ATOM 575 CE LYS A 40 14.626 -13.899 -8.945 1.00 0.00 C ATOM 576 NZ LYS A 40 15.640 -14.410 -7.996 1.00 0.00 N ATOM 0 H LYS A 40 10.722 -12.272 -10.498 1.00 0.00 H new ATOM 0 HA LYS A 40 9.826 -14.843 -10.608 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.110 -13.409 -8.283 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.950 -15.148 -8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.115 -14.857 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.569 -13.267 -10.176 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.130 -15.197 -8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.815 -15.791 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.084 -13.731 -9.920 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.248 -12.937 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.418 -13.724 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.203 -14.548 -7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.013 -15.317 -8.341 1.00 0.00 H new ATOM 590 N VAL A 41 8.097 -13.123 -8.424 1.00 0.00 N ATOM 591 CA VAL A 41 6.868 -13.126 -7.649 1.00 0.00 C ATOM 592 C VAL A 41 5.699 -13.512 -8.557 1.00 0.00 C ATOM 593 O VAL A 41 5.364 -12.782 -9.489 1.00 0.00 O ATOM 594 CB VAL A 41 6.674 -11.768 -6.971 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.305 -11.684 -6.294 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.798 -11.490 -5.971 1.00 0.00 C ATOM 0 H VAL A 41 8.618 -12.246 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 41 6.921 -13.868 -6.852 1.00 0.00 H new ATOM 0 HB VAL A 41 6.714 -10.999 -7.743 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.193 -10.709 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.521 -11.817 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.224 -12.466 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.637 -10.519 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.804 -12.266 -5.205 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.756 -11.487 -6.492 1.00 0.00 H new ATOM 606 N LEU A 42 5.110 -14.660 -8.254 1.00 0.00 N ATOM 607 CA LEU A 42 3.985 -15.152 -9.031 1.00 0.00 C ATOM 608 C LEU A 42 2.685 -14.600 -8.445 1.00 0.00 C ATOM 609 O LEU A 42 1.703 -14.419 -9.163 1.00 0.00 O ATOM 610 CB LEU A 42 4.021 -16.679 -9.118 1.00 0.00 C ATOM 611 CG LEU A 42 4.902 -17.268 -10.222 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.903 -18.272 -9.647 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.049 -17.882 -11.334 1.00 0.00 C ATOM 0 H LEU A 42 5.391 -15.263 -7.481 1.00 0.00 H new ATOM 0 HA LEU A 42 4.048 -14.796 -10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.364 -17.070 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.002 -17.039 -9.263 1.00 0.00 H new ATOM 0 HG LEU A 42 5.479 -16.458 -10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.517 -18.676 -10.452 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.542 -17.772 -8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.364 -19.084 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.699 -18.293 -12.106 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.429 -18.677 -10.920 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.410 -17.113 -11.769 1.00 0.00 H new ATOM 625 N GLU A 43 2.720 -14.347 -7.145 1.00 0.00 N ATOM 626 CA GLU A 43 1.556 -13.819 -6.453 1.00 0.00 C ATOM 627 C GLU A 43 1.985 -12.815 -5.381 1.00 0.00 C ATOM 628 O GLU A 43 3.056 -12.951 -4.792 1.00 0.00 O ATOM 629 CB GLU A 43 0.721 -14.947 -5.845 1.00 0.00 C ATOM 630 CG GLU A 43 1.309 -15.405 -4.508 1.00 0.00 C ATOM 631 CD GLU A 43 0.810 -16.804 -4.141 1.00 0.00 C ATOM 632 OE1 GLU A 43 -0.409 -16.925 -3.891 1.00 0.00 O ATOM 633 OE2 GLU A 43 1.659 -17.721 -4.118 1.00 0.00 O ATOM 0 H GLU A 43 3.536 -14.498 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 43 0.931 -13.300 -7.179 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.304 -14.607 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.682 -15.789 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.397 -15.407 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.033 -14.699 -3.724 1.00 0.00 H new ATOM 640 N VAL A 44 1.128 -11.829 -5.161 1.00 0.00 N ATOM 641 CA VAL A 44 1.405 -10.803 -4.171 1.00 0.00 C ATOM 642 C VAL A 44 0.339 -10.857 -3.075 1.00 0.00 C ATOM 643 O VAL A 44 -0.815 -10.504 -3.309 1.00 0.00 O ATOM 644 CB VAL A 44 1.498 -9.434 -4.848 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.114 -8.315 -3.877 1.00 0.00 C ATOM 646 CG2 VAL A 44 2.895 -9.202 -5.427 1.00 0.00 C ATOM 0 H VAL A 44 0.241 -11.719 -5.652 1.00 0.00 H new ATOM 0 HA VAL A 44 2.369 -10.981 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 44 0.787 -9.420 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.189 -7.353 -4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.091 -8.466 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.789 -8.328 -3.021 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.934 -8.222 -5.902 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.633 -9.246 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.115 -9.972 -6.166 1.00 0.00 H new ATOM 656 N GLU A 45 0.765 -11.302 -1.901 1.00 0.00 N ATOM 657 CA GLU A 45 -0.138 -11.407 -0.768 1.00 0.00 C ATOM 658 C GLU A 45 0.111 -10.263 0.217 1.00 0.00 C ATOM 659 O GLU A 45 1.027 -9.465 0.028 1.00 0.00 O ATOM 660 CB GLU A 45 0.003 -12.765 -0.078 1.00 0.00 C ATOM 661 CG GLU A 45 1.457 -13.031 0.317 1.00 0.00 C ATOM 662 CD GLU A 45 2.038 -14.199 -0.482 1.00 0.00 C ATOM 663 OE1 GLU A 45 1.750 -15.351 -0.094 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.757 -13.912 -1.464 1.00 0.00 O ATOM 0 H GLU A 45 1.724 -11.594 -1.711 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.161 -11.328 -1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.630 -12.794 0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.347 -13.554 -0.744 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.054 -12.135 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.513 -13.251 1.383 1.00 0.00 H new ATOM 671 N ASP A 46 -0.721 -10.220 1.247 1.00 0.00 N ATOM 672 CA ASP A 46 -0.603 -9.187 2.263 1.00 0.00 C ATOM 673 C ASP A 46 0.606 -9.488 3.151 1.00 0.00 C ATOM 674 O ASP A 46 0.942 -8.701 4.035 1.00 0.00 O ATOM 675 CB ASP A 46 -1.845 -9.146 3.154 1.00 0.00 C ATOM 676 CG ASP A 46 -2.822 -8.009 2.849 1.00 0.00 C ATOM 677 OD1 ASP A 46 -2.998 -7.719 1.646 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.371 -7.455 3.826 1.00 0.00 O ATOM 0 H ASP A 46 -1.480 -10.884 1.400 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.491 -8.228 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.374 -10.094 3.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.526 -9.062 4.193 1.00 0.00 H new ATOM 683 N SER A 47 1.227 -10.627 2.885 1.00 0.00 N ATOM 684 CA SER A 47 2.392 -11.041 3.649 1.00 0.00 C ATOM 685 C SER A 47 3.653 -10.911 2.792 1.00 0.00 C ATOM 686 O SER A 47 4.765 -11.086 3.288 1.00 0.00 O ATOM 687 CB SER A 47 2.238 -12.478 4.152 1.00 0.00 C ATOM 688 OG SER A 47 3.472 -13.014 4.621 1.00 0.00 O ATOM 0 H SER A 47 0.946 -11.277 2.151 1.00 0.00 H new ATOM 0 HA SER A 47 2.482 -10.388 4.517 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.502 -12.504 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.853 -13.105 3.347 1.00 0.00 H new ATOM 0 HG SER A 47 4.164 -12.321 4.584 1.00 0.00 H new ATOM 694 N THR A 48 3.438 -10.604 1.522 1.00 0.00 N ATOM 695 CA THR A 48 4.543 -10.448 0.592 1.00 0.00 C ATOM 696 C THR A 48 5.283 -9.135 0.858 1.00 0.00 C ATOM 697 O THR A 48 4.685 -8.062 0.816 1.00 0.00 O ATOM 698 CB THR A 48 3.985 -10.552 -0.829 1.00 0.00 C ATOM 699 OG1 THR A 48 4.304 -11.882 -1.230 1.00 0.00 O ATOM 700 CG2 THR A 48 4.744 -9.671 -1.823 1.00 0.00 C ATOM 0 H THR A 48 2.514 -10.459 1.115 1.00 0.00 H new ATOM 0 HA THR A 48 5.284 -11.236 0.724 1.00 0.00 H new ATOM 0 HB THR A 48 2.932 -10.271 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.487 -12.344 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.307 -9.783 -2.815 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.675 -8.629 -1.512 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.791 -9.973 -1.851 1.00 0.00 H new ATOM 708 N ASP A 49 6.574 -9.265 1.127 1.00 0.00 N ATOM 709 CA ASP A 49 7.402 -8.103 1.401 1.00 0.00 C ATOM 710 C ASP A 49 7.958 -7.556 0.084 1.00 0.00 C ATOM 711 O ASP A 49 8.560 -8.295 -0.694 1.00 0.00 O ATOM 712 CB ASP A 49 8.586 -8.469 2.298 1.00 0.00 C ATOM 713 CG ASP A 49 8.758 -7.585 3.535 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.040 -7.847 4.524 1.00 0.00 O ATOM 715 OD2 ASP A 49 9.603 -6.667 3.463 1.00 0.00 O ATOM 0 H ASP A 49 7.067 -10.157 1.161 1.00 0.00 H new ATOM 0 HA ASP A 49 6.784 -7.360 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.471 -9.503 2.622 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.500 -8.421 1.706 1.00 0.00 H new ATOM 720 N PHE A 50 7.736 -6.267 -0.126 1.00 0.00 N ATOM 721 CA PHE A 50 8.206 -5.613 -1.335 1.00 0.00 C ATOM 722 C PHE A 50 9.723 -5.755 -1.479 1.00 0.00 C ATOM 723 O PHE A 50 10.260 -5.629 -2.579 1.00 0.00 O ATOM 724 CB PHE A 50 7.854 -4.130 -1.207 1.00 0.00 C ATOM 725 CG PHE A 50 8.197 -3.300 -2.446 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.516 -3.499 -3.607 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.182 -2.364 -2.387 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.834 -2.729 -4.757 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.499 -1.594 -3.537 1.00 0.00 C ATOM 730 CZ PHE A 50 8.819 -1.793 -4.698 1.00 0.00 C ATOM 0 H PHE A 50 7.236 -5.657 0.521 1.00 0.00 H new ATOM 0 HA PHE A 50 7.740 -6.067 -2.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.787 -4.037 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.380 -3.715 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.734 -4.242 -3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.723 -2.206 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.294 -2.887 -5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.280 -0.850 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.061 -1.208 -5.573 1.00 0.00 H new ATOM 740 N PHE A 51 10.371 -6.014 -0.353 1.00 0.00 N ATOM 741 CA PHE A 51 11.815 -6.174 -0.341 1.00 0.00 C ATOM 742 C PHE A 51 12.206 -7.643 -0.520 1.00 0.00 C ATOM 743 O PHE A 51 12.788 -8.014 -1.538 1.00 0.00 O ATOM 744 CB PHE A 51 12.307 -5.691 1.025 1.00 0.00 C ATOM 745 CG PHE A 51 12.073 -4.200 1.279 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.261 -3.302 0.276 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.676 -3.774 2.508 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.043 -1.918 0.511 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.458 -2.391 2.744 1.00 0.00 C ATOM 750 CZ PHE A 51 11.647 -1.492 1.740 1.00 0.00 C ATOM 0 H PHE A 51 9.923 -6.117 0.557 1.00 0.00 H new ATOM 0 HA PHE A 51 12.259 -5.605 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.805 -6.265 1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.373 -5.901 1.111 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.576 -3.641 -0.700 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.527 -4.488 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.192 -1.205 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.142 -2.053 3.720 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.482 -0.440 1.919 1.00 0.00 H new ATOM 760 N LYS A 52 11.870 -8.438 0.485 1.00 0.00 N ATOM 761 CA LYS A 52 12.178 -9.857 0.452 1.00 0.00 C ATOM 762 C LYS A 52 11.921 -10.398 -0.956 1.00 0.00 C ATOM 763 O LYS A 52 12.753 -11.114 -1.511 1.00 0.00 O ATOM 764 CB LYS A 52 11.407 -10.599 1.545 1.00 0.00 C ATOM 765 CG LYS A 52 12.104 -10.458 2.900 1.00 0.00 C ATOM 766 CD LYS A 52 11.115 -10.024 3.983 1.00 0.00 C ATOM 767 CE LYS A 52 11.348 -10.800 5.281 1.00 0.00 C ATOM 768 NZ LYS A 52 10.927 -9.995 6.449 1.00 0.00 N ATOM 0 H LYS A 52 11.387 -8.126 1.328 1.00 0.00 H new ATOM 0 HA LYS A 52 13.233 -10.022 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.393 -10.205 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.323 -11.654 1.283 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.560 -11.408 3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.909 -9.728 2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.221 -8.955 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.095 -10.187 3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.790 -11.736 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.403 -11.060 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.092 -10.536 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.478 -9.113 6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.915 -9.769 6.368 1.00 0.00 H new ATOM 782 N SER A 53 10.767 -10.033 -1.494 1.00 0.00 N ATOM 783 CA SER A 53 10.390 -10.472 -2.827 1.00 0.00 C ATOM 784 C SER A 53 11.609 -10.445 -3.751 1.00 0.00 C ATOM 785 O SER A 53 12.200 -11.486 -4.034 1.00 0.00 O ATOM 786 CB SER A 53 9.271 -9.599 -3.398 1.00 0.00 C ATOM 787 OG SER A 53 7.990 -9.982 -2.906 1.00 0.00 O ATOM 0 H SER A 53 10.080 -9.438 -1.031 1.00 0.00 H new ATOM 0 HA SER A 53 10.017 -11.494 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.460 -8.556 -3.144 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.277 -9.668 -4.486 1.00 0.00 H new ATOM 0 HG SER A 53 7.850 -9.590 -2.019 1.00 0.00 H new ATOM 793 N GLY A 54 11.948 -9.244 -4.195 1.00 0.00 N ATOM 794 CA GLY A 54 13.086 -9.068 -5.081 1.00 0.00 C ATOM 795 C GLY A 54 13.103 -7.660 -5.679 1.00 0.00 C ATOM 796 O GLY A 54 13.406 -7.485 -6.858 1.00 0.00 O ATOM 0 H GLY A 54 11.455 -8.383 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.010 -9.244 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.046 -9.807 -5.882 1.00 0.00 H new ATOM 800 N ALA A 55 12.775 -6.690 -4.837 1.00 0.00 N ATOM 801 CA ALA A 55 12.748 -5.303 -5.267 1.00 0.00 C ATOM 802 C ALA A 55 14.073 -4.633 -4.896 1.00 0.00 C ATOM 803 O ALA A 55 14.674 -4.962 -3.875 1.00 0.00 O ATOM 804 CB ALA A 55 11.543 -4.597 -4.643 1.00 0.00 C ATOM 0 H ALA A 55 12.526 -6.838 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 55 12.637 -5.239 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.524 -3.556 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.626 -5.093 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.620 -4.638 -3.556 1.00 0.00 H new ATOM 810 N ALA A 56 14.489 -3.705 -5.746 1.00 0.00 N ATOM 811 CA ALA A 56 15.731 -2.986 -5.520 1.00 0.00 C ATOM 812 C ALA A 56 15.419 -1.612 -4.925 1.00 0.00 C ATOM 813 O ALA A 56 14.312 -1.378 -4.441 1.00 0.00 O ATOM 814 CB ALA A 56 16.511 -2.889 -6.833 1.00 0.00 C ATOM 0 H ALA A 56 13.988 -3.435 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 56 16.359 -3.520 -4.806 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.443 -2.350 -6.664 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.733 -3.891 -7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.913 -2.357 -7.573 1.00 0.00 H new ATOM 820 N SER A 57 16.414 -0.739 -4.979 1.00 0.00 N ATOM 821 CA SER A 57 16.260 0.606 -4.451 1.00 0.00 C ATOM 822 C SER A 57 15.546 1.491 -5.475 1.00 0.00 C ATOM 823 O SER A 57 15.200 2.634 -5.178 1.00 0.00 O ATOM 824 CB SER A 57 17.615 1.210 -4.080 1.00 0.00 C ATOM 825 OG SER A 57 18.604 0.954 -5.073 1.00 0.00 O ATOM 0 H SER A 57 17.331 -0.937 -5.381 1.00 0.00 H new ATOM 0 HA SER A 57 15.657 0.551 -3.545 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.507 2.286 -3.945 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.945 0.800 -3.125 1.00 0.00 H new ATOM 0 HG SER A 57 19.454 1.357 -4.800 1.00 0.00 H new ATOM 831 N VAL A 58 15.347 0.930 -6.658 1.00 0.00 N ATOM 832 CA VAL A 58 14.681 1.654 -7.727 1.00 0.00 C ATOM 833 C VAL A 58 13.181 1.351 -7.686 1.00 0.00 C ATOM 834 O VAL A 58 12.358 2.248 -7.860 1.00 0.00 O ATOM 835 CB VAL A 58 15.323 1.310 -9.072 1.00 0.00 C ATOM 836 CG1 VAL A 58 16.839 1.159 -8.933 1.00 0.00 C ATOM 837 CG2 VAL A 58 14.699 0.047 -9.671 1.00 0.00 C ATOM 0 H VAL A 58 15.635 -0.018 -6.900 1.00 0.00 H new ATOM 0 HA VAL A 58 14.800 2.729 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 58 15.130 2.136 -9.756 1.00 0.00 H new ATOM 0 HG11 VAL A 58 17.271 0.914 -9.903 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.266 2.094 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 58 17.062 0.361 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 58 15.174 -0.175 -10.627 1.00 0.00 H new ATOM 0 HG22 VAL A 58 14.847 -0.790 -8.989 1.00 0.00 H new ATOM 0 HG23 VAL A 58 13.632 0.206 -9.824 1.00 0.00 H new ATOM 847 N ASP A 59 12.873 0.084 -7.454 1.00 0.00 N ATOM 848 CA ASP A 59 11.487 -0.349 -7.387 1.00 0.00 C ATOM 849 C ASP A 59 10.738 0.511 -6.367 1.00 0.00 C ATOM 850 O ASP A 59 9.557 0.806 -6.546 1.00 0.00 O ATOM 851 CB ASP A 59 11.386 -1.808 -6.940 1.00 0.00 C ATOM 852 CG ASP A 59 12.060 -2.818 -7.872 1.00 0.00 C ATOM 853 OD1 ASP A 59 13.261 -2.615 -8.155 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.360 -3.769 -8.280 1.00 0.00 O ATOM 0 H ASP A 59 13.559 -0.657 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 59 11.053 -0.246 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.829 -1.900 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.333 -2.071 -6.845 1.00 0.00 H new ATOM 859 N VAL A 60 11.454 0.888 -5.318 1.00 0.00 N ATOM 860 CA VAL A 60 10.872 1.708 -4.269 1.00 0.00 C ATOM 861 C VAL A 60 10.242 2.955 -4.893 1.00 0.00 C ATOM 862 O VAL A 60 9.095 3.288 -4.600 1.00 0.00 O ATOM 863 CB VAL A 60 11.930 2.036 -3.214 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.381 3.015 -2.174 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.452 0.762 -2.546 1.00 0.00 C ATOM 0 H VAL A 60 12.433 0.641 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 60 10.078 1.165 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 60 12.768 2.517 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.153 3.232 -1.435 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.081 3.939 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.518 2.572 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.203 1.024 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.626 0.240 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.899 0.113 -3.299 1.00 0.00 H new ATOM 875 N VAL A 61 11.021 3.610 -5.741 1.00 0.00 N ATOM 876 CA VAL A 61 10.553 4.814 -6.409 1.00 0.00 C ATOM 877 C VAL A 61 9.514 4.434 -7.466 1.00 0.00 C ATOM 878 O VAL A 61 8.544 5.160 -7.675 1.00 0.00 O ATOM 879 CB VAL A 61 11.741 5.586 -6.988 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.299 6.948 -7.525 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.853 5.740 -5.948 1.00 0.00 C ATOM 0 H VAL A 61 11.972 3.331 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 61 10.065 5.481 -5.698 1.00 0.00 H new ATOM 0 HB VAL A 61 12.141 5.011 -7.823 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.162 7.477 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.558 6.806 -8.311 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.862 7.534 -6.716 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.685 6.292 -6.384 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.470 6.283 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.196 4.754 -5.634 1.00 0.00 H new ATOM 891 N ARG A 62 9.753 3.298 -8.104 1.00 0.00 N ATOM 892 CA ARG A 62 8.850 2.814 -9.134 1.00 0.00 C ATOM 893 C ARG A 62 7.458 2.571 -8.548 1.00 0.00 C ATOM 894 O ARG A 62 6.466 3.084 -9.063 1.00 0.00 O ATOM 895 CB ARG A 62 9.369 1.515 -9.755 1.00 0.00 C ATOM 896 CG ARG A 62 9.168 1.514 -11.271 1.00 0.00 C ATOM 897 CD ARG A 62 9.888 0.329 -11.919 1.00 0.00 C ATOM 898 NE ARG A 62 9.041 -0.259 -12.981 1.00 0.00 N ATOM 899 CZ ARG A 62 8.877 0.282 -14.196 1.00 0.00 C ATOM 900 NH1 ARG A 62 9.500 1.426 -14.510 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.090 -0.321 -15.097 1.00 0.00 N ATOM 0 H ARG A 62 10.559 2.699 -7.928 1.00 0.00 H new ATOM 0 HA ARG A 62 8.793 3.577 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.428 1.395 -9.525 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.849 0.664 -9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 62 8.103 1.467 -11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.544 2.447 -11.692 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.838 0.657 -12.340 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.116 -0.425 -11.165 1.00 0.00 H new ATOM 0 HE ARG A 62 8.552 -1.130 -12.775 1.00 0.00 H new ATOM 0 HH11 ARG A 62 10.099 1.885 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.375 1.838 -15.435 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.616 -1.192 -14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.965 0.091 -16.022 1.00 0.00 H new ATOM 915 N LEU A 63 7.429 1.788 -7.479 1.00 0.00 N ATOM 916 CA LEU A 63 6.175 1.471 -6.818 1.00 0.00 C ATOM 917 C LEU A 63 5.489 2.769 -6.386 1.00 0.00 C ATOM 918 O LEU A 63 4.294 2.950 -6.616 1.00 0.00 O ATOM 919 CB LEU A 63 6.409 0.488 -5.669 1.00 0.00 C ATOM 920 CG LEU A 63 5.442 0.594 -4.488 1.00 0.00 C ATOM 921 CD1 LEU A 63 4.015 0.246 -4.915 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.915 -0.265 -3.314 1.00 0.00 C ATOM 0 H LEU A 63 8.254 1.364 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 63 5.498 0.966 -7.507 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.355 -0.525 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.423 0.630 -5.296 1.00 0.00 H new ATOM 0 HG LEU A 63 5.432 1.629 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.348 0.329 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.690 0.935 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.988 -0.774 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.210 -0.172 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.972 -1.308 -3.626 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.900 0.072 -2.990 1.00 0.00 H new ATOM 934 N VAL A 64 6.274 3.639 -5.768 1.00 0.00 N ATOM 935 CA VAL A 64 5.757 4.914 -5.302 1.00 0.00 C ATOM 936 C VAL A 64 5.301 5.744 -6.503 1.00 0.00 C ATOM 937 O VAL A 64 4.251 6.384 -6.458 1.00 0.00 O ATOM 938 CB VAL A 64 6.809 5.625 -4.449 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.263 6.940 -3.888 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.310 4.716 -3.325 1.00 0.00 C ATOM 0 H VAL A 64 7.265 3.486 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 64 4.887 4.763 -4.662 1.00 0.00 H new ATOM 0 HB VAL A 64 7.657 5.861 -5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.031 7.425 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.979 7.596 -4.711 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.390 6.736 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.057 5.246 -2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.474 4.434 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.757 3.819 -3.754 1.00 0.00 H new ATOM 950 N GLU A 65 6.112 5.707 -7.550 1.00 0.00 N ATOM 951 CA GLU A 65 5.805 6.448 -8.762 1.00 0.00 C ATOM 952 C GLU A 65 4.555 5.874 -9.433 1.00 0.00 C ATOM 953 O GLU A 65 3.694 6.622 -9.893 1.00 0.00 O ATOM 954 CB GLU A 65 6.995 6.443 -9.724 1.00 0.00 C ATOM 955 CG GLU A 65 8.047 7.469 -9.299 1.00 0.00 C ATOM 956 CD GLU A 65 7.950 8.738 -10.148 1.00 0.00 C ATOM 957 OE1 GLU A 65 6.803 9.156 -10.415 1.00 0.00 O ATOM 958 OE2 GLU A 65 9.026 9.261 -10.512 1.00 0.00 O ATOM 0 H GLU A 65 6.982 5.175 -7.584 1.00 0.00 H new ATOM 0 HA GLU A 65 5.604 7.484 -8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.441 5.449 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.652 6.666 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.911 7.720 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.043 7.036 -9.398 1.00 0.00 H new ATOM 965 N GLU A 66 4.496 4.551 -9.467 1.00 0.00 N ATOM 966 CA GLU A 66 3.366 3.868 -10.073 1.00 0.00 C ATOM 967 C GLU A 66 2.073 4.222 -9.335 1.00 0.00 C ATOM 968 O GLU A 66 1.118 4.703 -9.944 1.00 0.00 O ATOM 969 CB GLU A 66 3.587 2.354 -10.096 1.00 0.00 C ATOM 970 CG GLU A 66 4.671 1.974 -11.106 1.00 0.00 C ATOM 971 CD GLU A 66 4.149 0.943 -12.109 1.00 0.00 C ATOM 972 OE1 GLU A 66 3.306 1.339 -12.943 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.604 -0.218 -12.019 1.00 0.00 O ATOM 0 H GLU A 66 5.212 3.934 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 66 3.276 4.204 -11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.874 2.010 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.655 1.851 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.007 2.865 -11.637 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.537 1.570 -10.581 1.00 0.00 H new ATOM 980 N VAL A 67 2.084 3.971 -8.035 1.00 0.00 N ATOM 981 CA VAL A 67 0.924 4.257 -7.207 1.00 0.00 C ATOM 982 C VAL A 67 0.582 5.745 -7.313 1.00 0.00 C ATOM 983 O VAL A 67 -0.556 6.142 -7.071 1.00 0.00 O ATOM 984 CB VAL A 67 1.183 3.804 -5.769 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.022 4.104 -4.875 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.547 2.319 -5.719 1.00 0.00 C ATOM 0 H VAL A 67 2.878 3.573 -7.534 1.00 0.00 H new ATOM 0 HA VAL A 67 0.057 3.698 -7.558 1.00 0.00 H new ATOM 0 HB VAL A 67 2.033 4.370 -5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.188 3.772 -3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.216 5.177 -4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.897 3.577 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.726 2.023 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.727 1.729 -6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.448 2.145 -6.307 1.00 0.00 H new ATOM 996 N LYS A 68 1.589 6.526 -7.676 1.00 0.00 N ATOM 997 CA LYS A 68 1.409 7.961 -7.817 1.00 0.00 C ATOM 998 C LYS A 68 0.416 8.238 -8.947 1.00 0.00 C ATOM 999 O LYS A 68 -0.446 9.106 -8.823 1.00 0.00 O ATOM 1000 CB LYS A 68 2.760 8.655 -8.001 1.00 0.00 C ATOM 1001 CG LYS A 68 3.083 9.554 -6.806 1.00 0.00 C ATOM 1002 CD LYS A 68 4.505 9.306 -6.301 1.00 0.00 C ATOM 1003 CE LYS A 68 5.195 10.622 -5.935 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.211 11.539 -7.097 1.00 0.00 N ATOM 0 H LYS A 68 2.532 6.192 -7.877 1.00 0.00 H new ATOM 0 HA LYS A 68 0.982 8.382 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.544 7.907 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.746 9.250 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.973 10.600 -7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.370 9.367 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.476 8.652 -5.430 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.082 8.790 -7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.675 11.092 -5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.215 10.425 -5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.100 12.079 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.138 10.987 -7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.407 12.196 -7.032 1.00 0.00 H new ATOM 1018 N GLU A 69 0.571 7.483 -10.025 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.301 7.636 -11.178 1.00 0.00 C ATOM 1020 C GLU A 69 -1.703 7.114 -10.855 1.00 0.00 C ATOM 1021 O GLU A 69 -2.677 7.501 -11.499 1.00 0.00 O ATOM 1022 CB GLU A 69 0.280 6.927 -12.403 1.00 0.00 C ATOM 1023 CG GLU A 69 1.712 7.390 -12.676 1.00 0.00 C ATOM 1024 CD GLU A 69 1.759 8.364 -13.854 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.069 9.402 -13.760 1.00 0.00 O ATOM 1026 OE2 GLU A 69 2.482 8.049 -14.823 1.00 0.00 O ATOM 0 H GLU A 69 1.287 6.764 -10.124 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.375 8.697 -11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.267 5.849 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.344 7.128 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.118 7.871 -11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.343 6.527 -12.888 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.760 6.242 -9.859 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.026 5.663 -9.443 1.00 0.00 C ATOM 1035 C LEU A 70 -3.902 6.754 -8.822 1.00 0.00 C ATOM 1036 O LEU A 70 -5.070 6.895 -9.180 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.791 4.465 -8.522 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.470 3.139 -9.215 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.305 2.012 -8.193 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.524 2.804 -10.272 1.00 0.00 C ATOM 0 H LEU A 70 -0.950 5.922 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.567 5.272 -10.305 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.971 4.707 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.680 4.325 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.517 3.246 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.077 1.081 -8.712 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.491 2.256 -7.511 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.229 1.896 -7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.272 1.857 -10.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.502 2.723 -9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.550 3.593 -11.023 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.303 7.496 -7.903 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.013 8.570 -7.229 1.00 0.00 C ATOM 1054 C CYS A 71 -3.717 9.878 -7.964 1.00 0.00 C ATOM 1055 O CYS A 71 -4.238 10.931 -7.599 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.641 8.651 -5.747 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.048 9.317 -4.784 1.00 0.00 S ATOM 0 H CYS A 71 -2.334 7.375 -7.609 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.085 8.374 -7.257 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.372 7.662 -5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.767 9.289 -5.617 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.722 9.380 -3.527 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.882 9.769 -8.987 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.511 10.930 -9.777 1.00 0.00 C ATOM 1065 C ASP A 72 -1.792 11.942 -8.883 1.00 0.00 C ATOM 1066 O ASP A 72 -2.324 13.014 -8.599 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.746 11.614 -10.366 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.471 12.931 -11.095 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.336 13.074 -11.598 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.402 13.764 -11.133 1.00 0.00 O ATOM 0 H ASP A 72 -2.452 8.894 -9.287 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.865 10.593 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.227 10.926 -11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.456 11.803 -9.561 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.593 11.565 -8.463 1.00 0.00 N ATOM 1076 CA GLY A 73 0.205 12.425 -7.606 1.00 0.00 C ATOM 1077 C GLY A 73 0.032 12.046 -6.134 1.00 0.00 C ATOM 1078 O GLY A 73 -0.064 12.918 -5.271 1.00 0.00 O ATOM 0 H GLY A 73 -0.155 10.675 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.256 12.347 -7.884 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.088 13.464 -7.754 1.00 0.00 H new ATOM 1082 N LEU A 74 -0.004 10.744 -5.891 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.164 10.239 -4.539 1.00 0.00 C ATOM 1084 C LEU A 74 0.970 10.772 -3.662 1.00 0.00 C ATOM 1085 O LEU A 74 2.140 10.684 -4.033 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.270 8.712 -4.546 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.522 8.051 -3.189 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.806 8.582 -2.550 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.533 6.526 -3.316 1.00 0.00 C ATOM 0 H LEU A 74 0.075 10.023 -6.609 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.098 10.599 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.076 8.427 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.653 8.305 -4.960 1.00 0.00 H new ATOM 0 HG LEU A 74 0.300 8.313 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.961 8.096 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.721 9.659 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.652 8.370 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.714 6.081 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.323 6.224 -4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.430 6.186 -3.697 1.00 0.00 H new ATOM 1101 N GLU A 75 0.585 11.314 -2.516 1.00 0.00 N ATOM 1102 CA GLU A 75 1.556 11.861 -1.583 1.00 0.00 C ATOM 1103 C GLU A 75 2.331 10.733 -0.900 1.00 0.00 C ATOM 1104 O GLU A 75 2.244 10.563 0.315 1.00 0.00 O ATOM 1105 CB GLU A 75 0.876 12.763 -0.551 1.00 0.00 C ATOM 1106 CG GLU A 75 0.636 14.163 -1.119 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.213 15.004 -0.164 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -1.438 14.758 -0.127 1.00 0.00 O ATOM 1109 OE2 GLU A 75 0.382 15.874 0.508 1.00 0.00 O ATOM 0 H GLU A 75 -0.386 11.386 -2.212 1.00 0.00 H new ATOM 0 HA GLU A 75 2.263 12.473 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.074 12.322 -0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.496 12.831 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.592 14.657 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.136 14.087 -2.085 1.00 0.00 H new ATOM 1116 N LEU A 76 3.071 9.991 -1.711 1.00 0.00 N ATOM 1117 CA LEU A 76 3.861 8.884 -1.200 1.00 0.00 C ATOM 1118 C LEU A 76 5.342 9.267 -1.220 1.00 0.00 C ATOM 1119 O LEU A 76 5.738 10.188 -1.932 1.00 0.00 O ATOM 1120 CB LEU A 76 3.547 7.601 -1.972 1.00 0.00 C ATOM 1121 CG LEU A 76 3.948 6.292 -1.288 1.00 0.00 C ATOM 1122 CD1 LEU A 76 3.083 6.031 -0.053 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.905 5.123 -2.275 1.00 0.00 C ATOM 0 H LEU A 76 3.140 10.135 -2.718 1.00 0.00 H new ATOM 0 HA LEU A 76 3.600 8.677 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.475 7.572 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.047 7.651 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 76 4.978 6.387 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.389 5.095 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.207 6.848 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.036 5.964 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.194 4.205 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.894 5.016 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.596 5.314 -3.096 1.00 0.00 H new ATOM 1135 N GLU A 77 6.119 8.541 -0.431 1.00 0.00 N ATOM 1136 CA GLU A 77 7.548 8.793 -0.349 1.00 0.00 C ATOM 1137 C GLU A 77 8.305 7.486 -0.108 1.00 0.00 C ATOM 1138 O GLU A 77 7.763 6.550 0.479 1.00 0.00 O ATOM 1139 CB GLU A 77 7.862 9.818 0.742 1.00 0.00 C ATOM 1140 CG GLU A 77 6.754 9.853 1.797 1.00 0.00 C ATOM 1141 CD GLU A 77 7.082 10.858 2.903 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.004 12.071 2.609 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.402 10.391 4.018 1.00 0.00 O ATOM 0 H GLU A 77 5.786 7.777 0.158 1.00 0.00 H new ATOM 0 HA GLU A 77 7.878 9.211 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.812 9.571 1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.976 10.806 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.808 10.120 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.626 8.860 2.229 1.00 0.00 H new ATOM 1150 N ASN A 78 9.545 7.463 -0.573 1.00 0.00 N ATOM 1151 CA ASN A 78 10.382 6.286 -0.415 1.00 0.00 C ATOM 1152 C ASN A 78 10.238 5.750 1.011 1.00 0.00 C ATOM 1153 O ASN A 78 10.284 4.541 1.231 1.00 0.00 O ATOM 1154 CB ASN A 78 11.857 6.623 -0.646 1.00 0.00 C ATOM 1155 CG ASN A 78 12.026 7.538 -1.860 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.162 7.299 -2.843 1.00 0.00 O flip ATOM 1157 ND2 ASN A 78 12.884 8.405 -1.903 1.00 0.00 N flip ATOM 0 H ASN A 78 9.991 8.241 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 78 10.062 5.545 -1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.266 7.109 0.240 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.424 5.705 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 78 13.516 8.536 -1.113 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.969 8.998 -2.728 1.00 0.00 H new ATOM 1164 N GLU A 79 10.065 6.677 1.942 1.00 0.00 N ATOM 1165 CA GLU A 79 9.914 6.313 3.341 1.00 0.00 C ATOM 1166 C GLU A 79 8.745 5.340 3.513 1.00 0.00 C ATOM 1167 O GLU A 79 8.886 4.304 4.161 1.00 0.00 O ATOM 1168 CB GLU A 79 9.726 7.555 4.213 1.00 0.00 C ATOM 1169 CG GLU A 79 10.863 7.690 5.229 1.00 0.00 C ATOM 1170 CD GLU A 79 10.314 7.830 6.650 1.00 0.00 C ATOM 1171 OE1 GLU A 79 9.399 7.048 6.985 1.00 0.00 O ATOM 1172 OE2 GLU A 79 10.824 8.717 7.369 1.00 0.00 O ATOM 0 H GLU A 79 10.026 7.679 1.755 1.00 0.00 H new ATOM 0 HA GLU A 79 10.827 5.815 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.689 8.444 3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.772 7.495 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.513 6.817 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.473 8.559 4.984 1.00 0.00 H new ATOM 1179 N ASP A 80 7.619 5.708 2.920 1.00 0.00 N ATOM 1180 CA ASP A 80 6.427 4.880 2.999 1.00 0.00 C ATOM 1181 C ASP A 80 6.805 3.422 2.730 1.00 0.00 C ATOM 1182 O ASP A 80 6.410 2.527 3.476 1.00 0.00 O ATOM 1183 CB ASP A 80 5.393 5.302 1.953 1.00 0.00 C ATOM 1184 CG ASP A 80 5.414 4.487 0.658 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.278 4.793 -0.192 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.566 3.575 0.548 1.00 0.00 O ATOM 0 H ASP A 80 7.507 6.568 2.383 1.00 0.00 H new ATOM 0 HA ASP A 80 6.000 4.997 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.400 5.228 2.395 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.555 6.351 1.707 1.00 0.00 H new ATOM 1191 N VAL A 81 7.564 3.229 1.662 1.00 0.00 N ATOM 1192 CA VAL A 81 8.000 1.895 1.285 1.00 0.00 C ATOM 1193 C VAL A 81 8.863 1.309 2.404 1.00 0.00 C ATOM 1194 O VAL A 81 8.652 0.173 2.826 1.00 0.00 O ATOM 1195 CB VAL A 81 8.720 1.941 -0.064 1.00 0.00 C ATOM 1196 CG1 VAL A 81 9.129 0.537 -0.516 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.857 2.628 -1.124 1.00 0.00 C ATOM 0 H VAL A 81 7.888 3.974 1.045 1.00 0.00 H new ATOM 0 HA VAL A 81 7.142 1.235 1.158 1.00 0.00 H new ATOM 0 HB VAL A 81 9.628 2.531 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.639 0.598 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.799 0.098 0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.240 -0.086 -0.616 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.393 2.647 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.924 2.078 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.639 3.649 -0.810 1.00 0.00 H new ATOM 1207 N TYR A 82 9.817 2.111 2.853 1.00 0.00 N ATOM 1208 CA TYR A 82 10.713 1.687 3.915 1.00 0.00 C ATOM 1209 C TYR A 82 9.941 1.411 5.207 1.00 0.00 C ATOM 1210 O TYR A 82 10.450 0.750 6.110 1.00 0.00 O ATOM 1211 CB TYR A 82 11.673 2.855 4.149 1.00 0.00 C ATOM 1212 CG TYR A 82 12.388 3.335 2.884 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.383 2.551 1.749 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.038 4.553 2.879 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.056 3.002 0.558 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.711 5.005 1.689 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.687 4.207 0.587 1.00 0.00 C ATOM 1218 OH TYR A 82 14.322 4.634 -0.537 1.00 0.00 O ATOM 0 H TYR A 82 9.989 3.053 2.500 1.00 0.00 H new ATOM 0 HA TYR A 82 11.231 0.769 3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 82 11.117 3.689 4.578 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.419 2.557 4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.874 1.598 1.753 1.00 0.00 H new ATOM 0 HD2 TYR A 82 13.042 5.167 3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.060 2.398 -0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.223 5.956 1.671 1.00 0.00 H new ATOM 0 HH TYR A 82 14.727 5.511 -0.371 1.00 0.00 H new ATOM 1228 N MET A 83 8.723 1.932 5.253 1.00 0.00 N ATOM 1229 CA MET A 83 7.875 1.750 6.419 1.00 0.00 C ATOM 1230 C MET A 83 6.955 0.541 6.244 1.00 0.00 C ATOM 1231 O MET A 83 6.812 -0.272 7.156 1.00 0.00 O ATOM 1232 CB MET A 83 7.031 3.008 6.638 1.00 0.00 C ATOM 1233 CG MET A 83 7.272 3.594 8.030 1.00 0.00 C ATOM 1234 SD MET A 83 7.086 2.323 9.269 1.00 0.00 S ATOM 1235 CE MET A 83 7.119 3.323 10.747 1.00 0.00 C ATOM 0 H MET A 83 8.304 2.480 4.502 1.00 0.00 H new ATOM 0 HA MET A 83 8.513 1.575 7.285 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.276 3.751 5.879 1.00 0.00 H new ATOM 0 HB3 MET A 83 5.975 2.767 6.519 1.00 0.00 H new ATOM 0 HG2 MET A 83 8.273 4.023 8.085 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.567 4.404 8.219 1.00 0.00 H new ATOM 0 HE1 MET A 83 7.014 2.682 11.622 1.00 0.00 H new ATOM 0 HE2 MET A 83 8.066 3.860 10.802 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.297 4.039 10.720 1.00 0.00 H new ATOM 1245 N ALA A 84 6.353 0.461 5.067 1.00 0.00 N ATOM 1246 CA ALA A 84 5.450 -0.635 4.761 1.00 0.00 C ATOM 1247 C ALA A 84 6.019 -1.450 3.597 1.00 0.00 C ATOM 1248 O ALA A 84 5.667 -1.217 2.441 1.00 0.00 O ATOM 1249 CB ALA A 84 4.057 -0.080 4.458 1.00 0.00 C ATOM 0 H ALA A 84 6.473 1.138 4.313 1.00 0.00 H new ATOM 0 HA ALA A 84 5.355 -1.304 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.380 -0.903 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.686 0.464 5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.112 0.594 3.603 1.00 0.00 H new ATOM 1255 N SER A 85 6.888 -2.388 3.942 1.00 0.00 N ATOM 1256 CA SER A 85 7.509 -3.238 2.941 1.00 0.00 C ATOM 1257 C SER A 85 6.492 -4.250 2.410 1.00 0.00 C ATOM 1258 O SER A 85 6.472 -4.549 1.217 1.00 0.00 O ATOM 1259 CB SER A 85 8.730 -3.961 3.512 1.00 0.00 C ATOM 1260 OG SER A 85 8.379 -4.842 4.576 1.00 0.00 O ATOM 0 H SER A 85 7.177 -2.578 4.902 1.00 0.00 H new ATOM 0 HA SER A 85 7.847 -2.607 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.220 -4.527 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.451 -3.227 3.872 1.00 0.00 H new ATOM 0 HG SER A 85 9.063 -5.538 4.664 1.00 0.00 H new ATOM 1266 N THR A 86 5.672 -4.751 3.323 1.00 0.00 N ATOM 1267 CA THR A 86 4.655 -5.723 2.962 1.00 0.00 C ATOM 1268 C THR A 86 3.452 -5.025 2.324 1.00 0.00 C ATOM 1269 O THR A 86 3.119 -3.898 2.687 1.00 0.00 O ATOM 1270 CB THR A 86 4.299 -6.523 4.217 1.00 0.00 C ATOM 1271 OG1 THR A 86 4.331 -5.557 5.264 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.388 -7.526 4.601 1.00 0.00 C ATOM 0 H THR A 86 5.692 -4.502 4.312 1.00 0.00 H new ATOM 0 HA THR A 86 5.023 -6.420 2.209 1.00 0.00 H new ATOM 0 HB THR A 86 3.360 -7.052 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.110 -5.990 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.085 -8.067 5.498 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.537 -8.232 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.320 -6.995 4.795 1.00 0.00 H new ATOM 1280 N PHE A 87 2.832 -5.725 1.384 1.00 0.00 N ATOM 1281 CA PHE A 87 1.674 -5.186 0.693 1.00 0.00 C ATOM 1282 C PHE A 87 0.547 -4.867 1.677 1.00 0.00 C ATOM 1283 O PHE A 87 0.048 -3.743 1.712 1.00 0.00 O ATOM 1284 CB PHE A 87 1.194 -6.264 -0.282 1.00 0.00 C ATOM 1285 CG PHE A 87 0.026 -5.826 -1.168 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.260 -5.082 -2.282 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.246 -6.181 -0.842 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.824 -4.675 -3.105 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.329 -5.774 -1.665 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.095 -5.030 -2.779 1.00 0.00 C ATOM 0 H PHE A 87 3.110 -6.660 1.086 1.00 0.00 H new ATOM 0 HA PHE A 87 1.943 -4.263 0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.028 -6.561 -0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.896 -7.146 0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.270 -4.801 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.432 -6.772 0.042 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.638 -4.084 -3.989 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.339 -6.055 -1.406 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.919 -4.721 -3.405 1.00 0.00 H new ATOM 1300 N GLY A 88 0.179 -5.876 2.453 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.880 -5.717 3.436 1.00 0.00 C ATOM 1302 C GLY A 88 -0.734 -4.393 4.189 1.00 0.00 C ATOM 1303 O GLY A 88 -1.655 -3.578 4.204 1.00 0.00 O ATOM 0 H GLY A 88 0.595 -6.807 2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.850 -5.752 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.853 -6.546 4.143 1.00 0.00 H new ATOM 1307 N ASP A 89 0.431 -4.220 4.797 1.00 0.00 N ATOM 1308 CA ASP A 89 0.709 -3.009 5.551 1.00 0.00 C ATOM 1309 C ASP A 89 0.644 -1.803 4.612 1.00 0.00 C ATOM 1310 O ASP A 89 -0.090 -0.850 4.870 1.00 0.00 O ATOM 1311 CB ASP A 89 2.109 -3.053 6.167 1.00 0.00 C ATOM 1312 CG ASP A 89 2.227 -2.412 7.550 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.938 -1.199 7.640 1.00 0.00 O ATOM 1314 OD2 ASP A 89 2.603 -3.148 8.488 1.00 0.00 O ATOM 0 H ASP A 89 1.193 -4.898 4.783 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.033 -2.929 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.426 -4.093 6.237 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.803 -2.553 5.491 1.00 0.00 H new ATOM 1319 N PHE A 90 1.420 -1.884 3.541 1.00 0.00 N ATOM 1320 CA PHE A 90 1.460 -0.810 2.563 1.00 0.00 C ATOM 1321 C PHE A 90 0.048 -0.337 2.211 1.00 0.00 C ATOM 1322 O PHE A 90 -0.262 0.847 2.332 1.00 0.00 O ATOM 1323 CB PHE A 90 2.123 -1.375 1.305 1.00 0.00 C ATOM 1324 CG PHE A 90 2.359 -0.338 0.206 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.520 0.371 0.177 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.408 -0.124 -0.742 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.739 1.334 -0.843 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.627 0.840 -1.762 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.788 1.548 -1.791 1.00 0.00 C ATOM 0 H PHE A 90 2.026 -2.677 3.329 1.00 0.00 H new ATOM 0 HA PHE A 90 2.010 0.040 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.079 -1.822 1.580 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.500 -2.176 0.907 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.275 0.201 0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.486 -0.687 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.661 1.896 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.872 1.011 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.955 2.280 -2.567 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.770 -1.286 1.782 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.142 -0.981 1.411 1.00 0.00 C ATOM 1341 C ILE A 91 -2.748 -0.035 2.450 1.00 0.00 C ATOM 1342 O ILE A 91 -3.176 1.068 2.115 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.942 -2.270 1.213 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.497 -3.002 -0.055 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.446 -1.987 1.213 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.918 -2.232 -1.309 1.00 0.00 C ATOM 0 H ILE A 91 -0.510 -2.267 1.683 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.172 -0.464 0.452 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.738 -2.931 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.414 -3.126 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.932 -4.001 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.992 -2.920 1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.732 -1.541 2.165 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.687 -1.299 0.403 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.590 -2.774 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.003 -2.131 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.461 -1.242 -1.299 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.764 -0.502 3.690 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.311 0.289 4.780 1.00 0.00 C ATOM 1360 C GLN A 92 -2.801 1.729 4.698 1.00 0.00 C ATOM 1361 O GLN A 92 -3.581 2.675 4.808 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.972 -0.336 6.134 1.00 0.00 C ATOM 1363 CG GLN A 92 -4.027 -1.366 6.543 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.572 -2.107 5.320 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -3.835 -2.648 4.511 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.899 -2.102 5.231 1.00 0.00 N ATOM 0 H GLN A 92 -2.407 -1.417 3.964 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.397 0.302 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.993 -0.813 6.083 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.907 0.444 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.591 -2.081 7.241 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.844 -0.868 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.456 -1.630 5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.360 -2.570 4.451 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.496 1.852 4.505 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.873 3.161 4.407 1.00 0.00 C ATOM 1377 C LEU A 93 -1.393 3.875 3.157 1.00 0.00 C ATOM 1378 O LEU A 93 -1.787 5.038 3.222 1.00 0.00 O ATOM 1379 CB LEU A 93 0.651 3.034 4.454 1.00 0.00 C ATOM 1380 CG LEU A 93 1.433 4.020 3.584 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.705 4.488 4.295 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.732 3.421 2.209 1.00 0.00 C ATOM 0 H LEU A 93 -0.852 1.066 4.414 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.144 3.778 5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.974 3.157 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.921 2.022 4.153 1.00 0.00 H new ATOM 0 HG LEU A 93 0.811 4.901 3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.243 5.188 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.439 4.981 5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.341 3.628 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.289 4.143 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.325 2.514 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.796 3.179 1.706 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.375 3.149 2.049 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.839 3.699 0.787 1.00 0.00 C ATOM 1396 C LEU A 94 -3.289 4.164 0.940 1.00 0.00 C ATOM 1397 O LEU A 94 -3.589 5.343 0.763 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.633 2.691 -0.345 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.540 2.858 -1.566 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.011 3.952 -2.496 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.728 1.527 -2.296 1.00 0.00 C ATOM 0 H LEU A 94 -1.046 2.185 1.999 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.250 4.575 0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.596 2.754 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.779 1.688 0.057 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.523 3.177 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.674 4.050 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.971 4.899 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.010 3.687 -2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.377 1.674 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.759 1.155 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.182 0.802 -1.620 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.150 3.212 1.268 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.561 3.508 1.447 1.00 0.00 C ATOM 1415 C VAL A 95 -5.708 4.782 2.281 1.00 0.00 C ATOM 1416 O VAL A 95 -6.572 5.613 2.005 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.275 2.304 2.063 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.707 2.662 2.466 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.257 1.108 1.109 1.00 0.00 C ATOM 0 H VAL A 95 -3.897 2.235 1.414 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.038 3.693 0.484 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.734 2.021 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.192 1.788 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.688 3.469 3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.263 2.984 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.771 0.266 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.762 1.376 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.225 0.830 0.894 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.852 4.895 3.286 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.875 6.054 4.163 1.00 0.00 C ATOM 1431 C ARG A 96 -4.614 7.331 3.362 1.00 0.00 C ATOM 1432 O ARG A 96 -5.307 8.332 3.540 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.825 5.929 5.268 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.486 5.728 6.633 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.437 5.480 7.719 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.022 5.735 9.054 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.382 6.947 9.498 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -4.219 8.022 8.715 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -4.904 7.084 10.724 1.00 0.00 N ATOM 0 H ARG A 96 -4.138 4.203 3.513 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.863 6.104 4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.164 5.089 5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.205 6.825 5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.077 6.607 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.174 4.884 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -3.077 4.453 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.576 6.129 7.560 1.00 0.00 H new ATOM 0 HE ARG A 96 -4.160 4.938 9.675 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.821 7.917 7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.493 8.945 9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.028 6.266 11.320 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.178 8.007 11.062 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.614 7.255 2.496 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.253 8.392 1.668 1.00 0.00 C ATOM 1455 C LYS A 97 -4.358 8.639 0.639 1.00 0.00 C ATOM 1456 O LYS A 97 -4.622 9.782 0.268 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.870 8.186 1.047 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.791 8.095 2.128 1.00 0.00 C ATOM 1459 CD LYS A 97 0.217 6.990 1.806 1.00 0.00 C ATOM 1460 CE LYS A 97 1.549 7.240 2.515 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.331 7.481 3.959 1.00 0.00 N ATOM 0 H LYS A 97 -3.042 6.423 2.350 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.173 9.294 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.868 7.275 0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.644 9.011 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.274 9.051 2.212 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.255 7.898 3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.186 6.025 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.378 6.942 0.729 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.207 6.382 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.050 8.099 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.208 7.281 4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.058 8.473 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.573 6.858 4.304 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.975 7.549 0.207 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.046 7.633 -0.772 1.00 0.00 C ATOM 1477 C LEU A 98 -7.261 8.311 -0.135 1.00 0.00 C ATOM 1478 O LEU A 98 -7.739 9.329 -0.632 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.348 6.251 -1.355 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.171 5.530 -2.015 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.662 4.431 -2.959 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.247 6.523 -2.723 1.00 0.00 C ATOM 0 H LEU A 98 -4.754 6.603 0.517 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.743 8.251 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.734 5.618 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.144 6.356 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.585 5.046 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.806 3.934 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.247 3.703 -2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.283 4.872 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.419 5.985 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.806 7.055 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.857 7.237 -1.998 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.725 7.719 0.956 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.875 8.253 1.665 1.00 0.00 C ATOM 1496 C ARG A 99 -8.737 9.767 1.837 1.00 0.00 C ATOM 1497 O ARG A 99 -9.650 10.519 1.500 1.00 0.00 O ATOM 1498 CB ARG A 99 -9.023 7.602 3.042 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.745 6.257 2.938 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.315 5.316 4.065 1.00 0.00 C ATOM 1501 NE ARG A 99 -9.737 3.931 3.756 1.00 0.00 N ATOM 1502 CZ ARG A 99 -9.944 2.984 4.681 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -9.770 3.267 5.979 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.326 1.755 4.308 1.00 0.00 N ATOM 0 H ARG A 99 -7.325 6.875 1.366 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.762 8.031 1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.039 7.457 3.487 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.578 8.266 3.705 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.823 6.414 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.529 5.798 1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.233 5.356 4.190 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.757 5.638 5.008 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.879 3.682 2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.480 4.203 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -9.927 2.547 6.684 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.459 1.540 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.484 1.034 5.012 1.00 0.00 H new ATOM 1518 N GLY A 100 -7.588 10.169 2.361 1.00 0.00 N ATOM 1519 CA GLY A 100 -7.319 11.580 2.581 1.00 0.00 C ATOM 1520 C GLY A 100 -7.397 12.364 1.270 1.00 0.00 C ATOM 1521 O GLY A 100 -8.314 13.160 1.072 1.00 0.00 O ATOM 0 H GLY A 100 -6.833 9.542 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.038 11.984 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.330 11.701 3.023 1.00 0.00 H new ATOM 1525 N ASP A 101 -6.424 12.112 0.407 1.00 0.00 N ATOM 1526 CA ASP A 101 -6.372 12.785 -0.880 1.00 0.00 C ATOM 1527 C ASP A 101 -6.225 14.291 -0.657 1.00 0.00 C ATOM 1528 O ASP A 101 -6.355 14.772 0.467 1.00 0.00 O ATOM 1529 CB ASP A 101 -7.655 12.547 -1.678 1.00 0.00 C ATOM 1530 CG ASP A 101 -7.487 12.583 -3.198 1.00 0.00 C ATOM 1531 OD1 ASP A 101 -6.322 12.499 -3.643 1.00 0.00 O ATOM 1532 OD2 ASP A 101 -8.528 12.693 -3.882 1.00 0.00 O ATOM 0 H ASP A 101 -5.665 11.451 0.574 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.523 12.386 -1.436 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.066 11.578 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.389 13.300 -1.391 1.00 0.00 H new ATOM 1537 N ASP A 102 -5.956 14.995 -1.748 1.00 0.00 N ATOM 1538 CA ASP A 102 -5.790 16.437 -1.686 1.00 0.00 C ATOM 1539 C ASP A 102 -4.518 16.766 -0.902 1.00 0.00 C ATOM 1540 O ASP A 102 -4.325 16.276 0.210 1.00 0.00 O ATOM 1541 CB ASP A 102 -6.970 17.097 -0.971 1.00 0.00 C ATOM 1542 CG ASP A 102 -7.142 18.591 -1.249 1.00 0.00 C ATOM 1543 OD1 ASP A 102 -6.315 19.366 -0.721 1.00 0.00 O ATOM 1544 OD2 ASP A 102 -8.096 18.926 -1.985 1.00 0.00 O ATOM 0 H ASP A 102 -5.849 14.593 -2.679 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.731 16.814 -2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -7.885 16.581 -1.261 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.850 16.954 0.103 1.00 0.00 H new ATOM 1549 N GLU A 103 -3.683 17.595 -1.511 1.00 0.00 N ATOM 1550 CA GLU A 103 -2.435 17.996 -0.884 1.00 0.00 C ATOM 1551 C GLU A 103 -2.452 19.495 -0.580 1.00 0.00 C ATOM 1552 O GLU A 103 -3.294 20.228 -1.097 1.00 0.00 O ATOM 1553 CB GLU A 103 -1.237 17.627 -1.762 1.00 0.00 C ATOM 1554 CG GLU A 103 -1.222 18.459 -3.045 1.00 0.00 C ATOM 1555 CD GLU A 103 0.101 18.286 -3.795 1.00 0.00 C ATOM 1556 OE1 GLU A 103 0.335 17.157 -4.279 1.00 0.00 O ATOM 1557 OE2 GLU A 103 0.848 19.285 -3.867 1.00 0.00 O ATOM 0 H GLU A 103 -3.846 18.000 -2.433 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.333 17.456 0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.312 17.789 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -1.277 16.567 -2.012 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.050 18.159 -3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.372 19.511 -2.802 1.00 0.00 H new ATOM 1564 N GLU A 104 -1.511 19.907 0.257 1.00 0.00 N ATOM 1565 CA GLU A 104 -1.406 21.306 0.636 1.00 0.00 C ATOM 1566 C GLU A 104 -0.254 21.975 -0.117 1.00 0.00 C ATOM 1567 O GLU A 104 0.899 21.888 0.302 1.00 0.00 O ATOM 1568 CB GLU A 104 -1.232 21.453 2.148 1.00 0.00 C ATOM 1569 CG GLU A 104 -2.466 22.098 2.783 1.00 0.00 C ATOM 1570 CD GLU A 104 -2.340 22.140 4.307 1.00 0.00 C ATOM 1571 OE1 GLU A 104 -1.210 22.392 4.776 1.00 0.00 O ATOM 1572 OE2 GLU A 104 -3.378 21.919 4.968 1.00 0.00 O ATOM 0 H GLU A 104 -0.814 19.296 0.683 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.334 21.807 0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.059 20.474 2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -0.351 22.060 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.591 23.110 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.358 21.537 2.504 1.00 0.00 H new ATOM 1579 N SER A 105 -0.607 22.628 -1.214 1.00 0.00 N ATOM 1580 CA SER A 105 0.384 23.312 -2.029 1.00 0.00 C ATOM 1581 C SER A 105 1.291 24.166 -1.142 1.00 0.00 C ATOM 1582 O SER A 105 0.810 24.901 -0.280 1.00 0.00 O ATOM 1583 CB SER A 105 -0.285 24.180 -3.096 1.00 0.00 C ATOM 1584 OG SER A 105 0.634 25.086 -3.700 1.00 0.00 O ATOM 0 H SER A 105 -1.565 22.698 -1.558 1.00 0.00 H new ATOM 0 HA SER A 105 0.987 22.560 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.721 23.540 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.104 24.741 -2.646 1.00 0.00 H new ATOM 0 HG SER A 105 0.169 25.621 -4.377 1.00 0.00 H new ATOM 1590 N GLY A 106 2.588 24.042 -1.383 1.00 0.00 N ATOM 1591 CA GLY A 106 3.567 24.794 -0.617 1.00 0.00 C ATOM 1592 C GLY A 106 4.143 25.946 -1.443 1.00 0.00 C ATOM 1593 O GLY A 106 3.434 26.557 -2.241 1.00 0.00 O ATOM 0 H GLY A 106 2.984 23.432 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.102 25.187 0.287 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.372 24.132 -0.299 1.00 0.00 H new ATOM 1597 N PRO A 107 5.457 26.215 -1.217 1.00 0.00 N ATOM 1598 CA PRO A 107 6.135 27.283 -1.931 1.00 0.00 C ATOM 1599 C PRO A 107 6.431 26.875 -3.376 1.00 0.00 C ATOM 1600 O PRO A 107 6.269 27.674 -4.296 1.00 0.00 O ATOM 1601 CB PRO A 107 7.392 27.560 -1.123 1.00 0.00 C ATOM 1602 CG PRO A 107 7.607 26.332 -0.252 1.00 0.00 C ATOM 1603 CD PRO A 107 6.328 25.512 -0.280 1.00 0.00 C ATOM 0 HA PRO A 107 5.527 28.183 -2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 107 8.247 27.729 -1.777 1.00 0.00 H new ATOM 0 HB3 PRO A 107 7.275 28.456 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 107 8.446 25.743 -0.622 1.00 0.00 H new ATOM 0 HG3 PRO A 107 7.850 26.626 0.769 1.00 0.00 H new ATOM 0 HD2 PRO A 107 6.520 24.490 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.876 25.449 0.710 1.00 0.00 H new ATOM 1611 N SER A 108 6.861 25.631 -3.529 1.00 0.00 N ATOM 1612 CA SER A 108 7.181 25.107 -4.846 1.00 0.00 C ATOM 1613 C SER A 108 7.965 26.148 -5.647 1.00 0.00 C ATOM 1614 O SER A 108 7.376 26.989 -6.324 1.00 0.00 O ATOM 1615 CB SER A 108 5.913 24.702 -5.601 1.00 0.00 C ATOM 1616 OG SER A 108 6.012 23.388 -6.144 1.00 0.00 O ATOM 0 H SER A 108 6.995 24.971 -2.763 1.00 0.00 H new ATOM 0 HA SER A 108 7.796 24.216 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.058 24.752 -4.927 1.00 0.00 H new ATOM 0 HB3 SER A 108 5.727 25.414 -6.405 1.00 0.00 H new ATOM 0 HG SER A 108 5.183 23.166 -6.617 1.00 0.00 H new ATOM 1622 N SER A 109 9.283 26.058 -5.544 1.00 0.00 N ATOM 1623 CA SER A 109 10.154 26.982 -6.250 1.00 0.00 C ATOM 1624 C SER A 109 9.883 26.911 -7.754 1.00 0.00 C ATOM 1625 O SER A 109 9.554 27.919 -8.378 1.00 0.00 O ATOM 1626 CB SER A 109 11.626 26.681 -5.961 1.00 0.00 C ATOM 1627 OG SER A 109 12.500 27.514 -6.718 1.00 0.00 O ATOM 0 H SER A 109 9.769 25.359 -4.982 1.00 0.00 H new ATOM 0 HA SER A 109 9.941 27.991 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.823 26.821 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.834 25.636 -6.189 1.00 0.00 H new ATOM 0 HG SER A 109 13.430 27.292 -6.504 1.00 0.00 H new ATOM 1633 N GLY A 110 10.032 25.710 -8.294 1.00 0.00 N ATOM 1634 CA GLY A 110 9.807 25.494 -9.713 1.00 0.00 C ATOM 1635 C GLY A 110 8.319 25.596 -10.054 1.00 0.00 C ATOM 1636 O GLY A 110 7.800 24.794 -10.829 1.00 0.00 O ATOM 0 H GLY A 110 10.306 24.876 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.367 26.230 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 110 10.183 24.512 -9.999 1.00 0.00 H new TER 1640 GLY A 110