USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 6 THR OG1 : rot 117:sc= 0.224 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.0226 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 35:sc= 0.0179 USER MOD Single : A 25 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.6) USER MOD Single : A 27 SER OG : rot 90:sc= 0.323 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.8! C(o=-3.8!,f=-5.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 159:sc= -0.042 (180deg=-0.282) USER MOD Single : A 53 SER OG : rot 98:sc= 0.192 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 151:sc= -1.21 (180deg=-3.02!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 110:sc= 0.374 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00535 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0915 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.81 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.00618 F(o=-0.51,f=0.0062) USER MOD Single : A 78 MET CE :methyl -159:sc= -0.978 (180deg=-1.29) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0905 X(o=-0.091,f=-0.15) USER MOD Single : A 93 LYS NZ :NH3+ -127:sc= 0.949 (180deg=-0.992) USER MOD Single : A 95 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot -81:sc= 1.08 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ 177:sc= 0.195 (180deg=0.161) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 6.771 -11.189 -8.528 1.00 23.45 N ATOM 43 CA LEU A 2 8.109 -10.772 -8.933 1.00 22.43 C ATOM 44 C LEU A 2 9.149 -11.815 -8.535 1.00 34.53 C ATOM 45 O LEU A 2 9.097 -12.371 -7.437 1.00 43.11 O ATOM 46 CB LEU A 2 8.457 -9.423 -8.302 1.00 40.21 C ATOM 47 CG LEU A 2 8.736 -9.436 -6.799 1.00 25.52 C ATOM 48 CD1 LEU A 2 10.222 -9.254 -6.530 1.00 42.44 C ATOM 49 CD2 LEU A 2 7.929 -8.355 -6.096 1.00 53.04 C ATOM 0 HA LEU A 2 8.118 -10.672 -10.018 1.00 22.43 H new ATOM 0 HB2 LEU A 2 9.334 -9.022 -8.810 1.00 40.21 H new ATOM 0 HB3 LEU A 2 7.635 -8.733 -8.493 1.00 40.21 H new ATOM 0 HG LEU A 2 8.431 -10.404 -6.402 1.00 25.52 H new ATOM 0 HD11 LEU A 2 10.401 -9.266 -5.455 1.00 42.44 H new ATOM 0 HD12 LEU A 2 10.779 -10.065 -7.000 1.00 42.44 H new ATOM 0 HD13 LEU A 2 10.552 -8.301 -6.942 1.00 42.44 H new ATOM 0 HD21 LEU A 2 8.141 -8.380 -5.027 1.00 53.04 H new ATOM 0 HD22 LEU A 2 8.201 -7.379 -6.497 1.00 53.04 H new ATOM 0 HD23 LEU A 2 6.866 -8.531 -6.259 1.00 53.04 H new ATOM 61 N PHE A 3 10.092 -12.075 -9.433 1.00 65.53 N ATOM 62 CA PHE A 3 11.145 -13.051 -9.176 1.00 23.04 C ATOM 63 C PHE A 3 12.519 -12.388 -9.203 1.00 65.23 C ATOM 64 O PHE A 3 12.721 -11.382 -9.882 1.00 65.14 O ATOM 65 CB PHE A 3 11.089 -14.178 -10.209 1.00 24.22 C ATOM 66 CG PHE A 3 9.900 -15.081 -10.047 1.00 54.35 C ATOM 67 CD1 PHE A 3 8.619 -14.611 -10.290 1.00 10.34 C ATOM 68 CD2 PHE A 3 10.062 -16.399 -9.653 1.00 70.11 C ATOM 69 CE1 PHE A 3 7.522 -15.439 -10.143 1.00 10.45 C ATOM 70 CE2 PHE A 3 8.969 -17.232 -9.505 1.00 11.32 C ATOM 71 CZ PHE A 3 7.697 -16.751 -9.749 1.00 3.44 C ATOM 0 H PHE A 3 10.149 -11.624 -10.346 1.00 65.53 H new ATOM 0 HA PHE A 3 10.983 -13.470 -8.183 1.00 23.04 H new ATOM 0 HB2 PHE A 3 11.072 -13.743 -11.208 1.00 24.22 H new ATOM 0 HB3 PHE A 3 12.000 -14.773 -10.136 1.00 24.22 H new ATOM 0 HD1 PHE A 3 8.476 -13.586 -10.598 1.00 10.34 H new ATOM 0 HD2 PHE A 3 11.054 -16.780 -9.459 1.00 70.11 H new ATOM 0 HE1 PHE A 3 6.529 -15.060 -10.336 1.00 10.45 H new ATOM 0 HE2 PHE A 3 9.109 -18.258 -9.199 1.00 11.32 H new ATOM 0 HZ PHE A 3 6.841 -17.400 -9.632 1.00 3.44 H new ATOM 81 N ALA A 4 13.461 -12.960 -8.459 1.00 73.15 N ATOM 82 CA ALA A 4 14.816 -12.427 -8.399 1.00 51.23 C ATOM 83 C ALA A 4 15.833 -13.456 -8.879 1.00 70.55 C ATOM 84 O ALA A 4 15.534 -14.648 -8.960 1.00 64.11 O ATOM 85 CB ALA A 4 15.144 -11.978 -6.983 1.00 22.51 C ATOM 0 H ALA A 4 13.310 -13.793 -7.890 1.00 73.15 H new ATOM 0 HA ALA A 4 14.870 -11.565 -9.064 1.00 51.23 H new ATOM 0 HB1 ALA A 4 16.159 -11.582 -6.953 1.00 22.51 H new ATOM 0 HB2 ALA A 4 14.443 -11.202 -6.676 1.00 22.51 H new ATOM 0 HB3 ALA A 4 15.066 -12.828 -6.305 1.00 22.51 H new ATOM 91 N VAL A 5 17.036 -12.989 -9.198 1.00 71.22 N ATOM 92 CA VAL A 5 18.098 -13.870 -9.670 1.00 53.13 C ATOM 93 C VAL A 5 19.414 -13.573 -8.961 1.00 41.10 C ATOM 94 O VAL A 5 19.945 -12.465 -9.051 1.00 30.24 O ATOM 95 CB VAL A 5 18.304 -13.735 -11.191 1.00 5.24 C ATOM 96 CG1 VAL A 5 18.551 -12.282 -11.569 1.00 74.32 C ATOM 97 CG2 VAL A 5 19.455 -14.617 -11.652 1.00 12.12 C ATOM 0 H VAL A 5 17.300 -12.005 -9.138 1.00 71.22 H new ATOM 0 HA VAL A 5 17.789 -14.890 -9.442 1.00 53.13 H new ATOM 0 HB VAL A 5 17.396 -14.068 -11.695 1.00 5.24 H new ATOM 0 HG11 VAL A 5 18.694 -12.206 -12.647 1.00 74.32 H new ATOM 0 HG12 VAL A 5 17.693 -11.678 -11.273 1.00 74.32 H new ATOM 0 HG13 VAL A 5 19.443 -11.920 -11.058 1.00 74.32 H new ATOM 0 HG21 VAL A 5 19.587 -14.510 -12.729 1.00 12.12 H new ATOM 0 HG22 VAL A 5 20.370 -14.316 -11.142 1.00 12.12 H new ATOM 0 HG23 VAL A 5 19.233 -15.658 -11.416 1.00 12.12 H new ATOM 107 N THR A 6 19.938 -14.570 -8.255 1.00 60.32 N ATOM 108 CA THR A 6 21.192 -14.417 -7.529 1.00 44.54 C ATOM 109 C THR A 6 22.364 -14.238 -8.488 1.00 61.32 C ATOM 110 O THR A 6 22.441 -14.904 -9.522 1.00 13.02 O ATOM 111 CB THR A 6 21.468 -15.629 -6.620 1.00 73.12 C ATOM 112 OG1 THR A 6 20.651 -16.736 -7.019 1.00 43.20 O ATOM 113 CG2 THR A 6 21.191 -15.287 -5.164 1.00 23.31 C ATOM 0 H THR A 6 19.512 -15.493 -8.171 1.00 60.32 H new ATOM 0 HA THR A 6 21.092 -13.525 -6.911 1.00 44.54 H new ATOM 0 HB THR A 6 22.519 -15.899 -6.720 1.00 73.12 H new ATOM 0 HG1 THR A 6 21.223 -17.472 -7.323 1.00 43.20 H new ATOM 0 HG21 THR A 6 21.393 -16.158 -4.541 1.00 23.31 H new ATOM 0 HG22 THR A 6 21.834 -14.463 -4.855 1.00 23.31 H new ATOM 0 HG23 THR A 6 20.147 -14.994 -5.051 1.00 23.31 H new ATOM 121 N LEU A 7 23.276 -13.337 -8.140 1.00 33.13 N ATOM 122 CA LEU A 7 24.446 -13.072 -8.970 1.00 14.32 C ATOM 123 C LEU A 7 25.703 -13.670 -8.347 1.00 35.53 C ATOM 124 O LEU A 7 26.714 -13.859 -9.023 1.00 52.23 O ATOM 125 CB LEU A 7 24.627 -11.565 -9.164 1.00 33.22 C ATOM 126 CG LEU A 7 23.391 -10.795 -9.630 1.00 34.12 C ATOM 127 CD1 LEU A 7 23.446 -9.354 -9.147 1.00 61.01 C ATOM 128 CD2 LEU A 7 23.270 -10.847 -11.146 1.00 32.52 C ATOM 0 H LEU A 7 23.228 -12.777 -7.289 1.00 33.13 H new ATOM 0 HA LEU A 7 24.286 -13.541 -9.941 1.00 14.32 H new ATOM 0 HB2 LEU A 7 24.964 -11.135 -8.221 1.00 33.22 H new ATOM 0 HB3 LEU A 7 25.425 -11.406 -9.890 1.00 33.22 H new ATOM 0 HG LEU A 7 22.509 -11.268 -9.199 1.00 34.12 H new ATOM 0 HD11 LEU A 7 22.558 -8.822 -9.488 1.00 61.01 H new ATOM 0 HD12 LEU A 7 23.483 -9.337 -8.058 1.00 61.01 H new ATOM 0 HD13 LEU A 7 24.336 -8.869 -9.548 1.00 61.01 H new ATOM 0 HD21 LEU A 7 22.385 -10.294 -11.460 1.00 32.52 H new ATOM 0 HD22 LEU A 7 24.156 -10.400 -11.597 1.00 32.52 H new ATOM 0 HD23 LEU A 7 23.183 -11.884 -11.469 1.00 32.52 H new ATOM 140 N TYR A 8 25.631 -13.969 -7.055 1.00 30.45 N ATOM 141 CA TYR A 8 26.763 -14.547 -6.340 1.00 21.02 C ATOM 142 C TYR A 8 26.302 -15.642 -5.383 1.00 70.20 C ATOM 143 O TYR A 8 25.118 -15.744 -5.064 1.00 71.12 O ATOM 144 CB TYR A 8 27.513 -13.461 -5.566 1.00 54.13 C ATOM 145 CG TYR A 8 28.027 -12.340 -6.441 1.00 54.11 C ATOM 146 CD1 TYR A 8 27.171 -11.350 -6.909 1.00 42.13 C ATOM 147 CD2 TYR A 8 29.367 -12.271 -6.800 1.00 51.12 C ATOM 148 CE1 TYR A 8 27.636 -10.324 -7.709 1.00 60.14 C ATOM 149 CE2 TYR A 8 29.841 -11.248 -7.599 1.00 12.05 C ATOM 150 CZ TYR A 8 28.972 -10.277 -8.051 1.00 34.22 C ATOM 151 OH TYR A 8 29.439 -9.257 -8.847 1.00 65.44 O ATOM 0 H TYR A 8 24.801 -13.821 -6.481 1.00 30.45 H new ATOM 0 HA TYR A 8 27.435 -14.991 -7.075 1.00 21.02 H new ATOM 0 HB2 TYR A 8 26.851 -13.044 -4.807 1.00 54.13 H new ATOM 0 HB3 TYR A 8 28.353 -13.915 -5.041 1.00 54.13 H new ATOM 0 HD1 TYR A 8 26.125 -11.383 -6.643 1.00 42.13 H new ATOM 0 HD2 TYR A 8 30.050 -13.030 -6.449 1.00 51.12 H new ATOM 0 HE1 TYR A 8 26.957 -9.563 -8.065 1.00 60.14 H new ATOM 0 HE2 TYR A 8 30.886 -11.209 -7.868 1.00 12.05 H new ATOM 0 HH TYR A 8 30.401 -9.370 -8.993 1.00 65.44 H new ATOM 161 N GLU A 9 27.248 -16.459 -4.929 1.00 14.34 N ATOM 162 CA GLU A 9 26.939 -17.547 -4.008 1.00 52.23 C ATOM 163 C GLU A 9 26.815 -17.031 -2.578 1.00 5.45 C ATOM 164 O GLU A 9 27.794 -16.580 -1.982 1.00 1.23 O ATOM 165 CB GLU A 9 28.019 -18.628 -4.081 1.00 3.22 C ATOM 166 CG GLU A 9 27.748 -19.821 -3.180 1.00 73.11 C ATOM 167 CD GLU A 9 26.997 -20.930 -3.891 1.00 51.14 C ATOM 168 OE1 GLU A 9 27.633 -21.678 -4.663 1.00 31.03 O ATOM 169 OE2 GLU A 9 25.772 -21.049 -3.676 1.00 24.40 O ATOM 0 H GLU A 9 28.233 -16.388 -5.184 1.00 14.34 H new ATOM 0 HA GLU A 9 25.983 -17.979 -4.303 1.00 52.23 H new ATOM 0 HB2 GLU A 9 28.106 -18.974 -5.111 1.00 3.22 H new ATOM 0 HB3 GLU A 9 28.979 -18.189 -3.810 1.00 3.22 H new ATOM 0 HG2 GLU A 9 28.694 -20.211 -2.805 1.00 73.11 H new ATOM 0 HG3 GLU A 9 27.172 -19.494 -2.314 1.00 73.11 H new ATOM 176 N PHE A 10 25.606 -17.100 -2.032 1.00 54.42 N ATOM 177 CA PHE A 10 25.353 -16.638 -0.672 1.00 74.32 C ATOM 178 C PHE A 10 25.360 -17.807 0.309 1.00 71.02 C ATOM 179 O PHE A 10 24.471 -18.659 0.285 1.00 43.23 O ATOM 180 CB PHE A 10 24.011 -15.906 -0.601 1.00 31.14 C ATOM 181 CG PHE A 10 23.822 -15.123 0.667 1.00 45.41 C ATOM 182 CD1 PHE A 10 24.733 -14.145 1.034 1.00 13.24 C ATOM 183 CD2 PHE A 10 22.735 -15.364 1.491 1.00 22.41 C ATOM 184 CE1 PHE A 10 24.562 -13.422 2.200 1.00 50.30 C ATOM 185 CE2 PHE A 10 22.559 -14.644 2.658 1.00 61.25 C ATOM 186 CZ PHE A 10 23.474 -13.673 3.013 1.00 2.41 C ATOM 0 H PHE A 10 24.785 -17.472 -2.510 1.00 54.42 H new ATOM 0 HA PHE A 10 26.150 -15.948 -0.394 1.00 74.32 H new ATOM 0 HB2 PHE A 10 23.930 -15.230 -1.452 1.00 31.14 H new ATOM 0 HB3 PHE A 10 23.204 -16.633 -0.693 1.00 31.14 H new ATOM 0 HD1 PHE A 10 25.586 -13.946 0.402 1.00 13.24 H new ATOM 0 HD2 PHE A 10 22.017 -16.123 1.219 1.00 22.41 H new ATOM 0 HE1 PHE A 10 25.278 -12.662 2.475 1.00 50.30 H new ATOM 0 HE2 PHE A 10 21.707 -14.841 3.291 1.00 61.25 H new ATOM 0 HZ PHE A 10 23.339 -13.111 3.925 1.00 2.41 H new ATOM 196 N LYS A 11 26.370 -17.841 1.171 1.00 31.24 N ATOM 197 CA LYS A 11 26.495 -18.904 2.162 1.00 1.41 C ATOM 198 C LYS A 11 25.621 -18.619 3.379 1.00 54.30 C ATOM 199 O LYS A 11 25.778 -17.594 4.042 1.00 51.34 O ATOM 200 CB LYS A 11 27.955 -19.056 2.595 1.00 61.54 C ATOM 201 CG LYS A 11 28.926 -19.160 1.431 1.00 23.44 C ATOM 202 CD LYS A 11 29.606 -17.830 1.152 1.00 70.51 C ATOM 203 CE LYS A 11 30.907 -18.019 0.388 1.00 65.42 C ATOM 204 NZ LYS A 11 32.065 -18.217 1.304 1.00 73.42 N ATOM 0 H LYS A 11 27.114 -17.145 1.204 1.00 31.24 H new ATOM 0 HA LYS A 11 26.159 -19.834 1.704 1.00 1.41 H new ATOM 0 HB2 LYS A 11 28.233 -18.203 3.214 1.00 61.54 H new ATOM 0 HB3 LYS A 11 28.050 -19.946 3.217 1.00 61.54 H new ATOM 0 HG2 LYS A 11 29.680 -19.916 1.651 1.00 23.44 H new ATOM 0 HG3 LYS A 11 28.393 -19.491 0.540 1.00 23.44 H new ATOM 0 HD2 LYS A 11 28.935 -17.191 0.578 1.00 70.51 H new ATOM 0 HD3 LYS A 11 29.807 -17.318 2.093 1.00 70.51 H new ATOM 0 HE2 LYS A 11 30.817 -18.880 -0.275 1.00 65.42 H new ATOM 0 HE3 LYS A 11 31.088 -17.148 -0.243 1.00 65.42 H new ATOM 0 HZ1 LYS A 11 32.933 -18.342 0.745 1.00 73.42 H new ATOM 0 HZ2 LYS A 11 32.167 -17.385 1.920 1.00 73.42 H new ATOM 0 HZ3 LYS A 11 31.905 -19.062 1.888 1.00 73.42 H new ATOM 218 N ALA A 12 24.700 -19.533 3.668 1.00 41.23 N ATOM 219 CA ALA A 12 23.804 -19.381 4.807 1.00 54.12 C ATOM 220 C ALA A 12 24.530 -19.659 6.118 1.00 22.53 C ATOM 221 O ALA A 12 25.543 -20.358 6.140 1.00 0.24 O ATOM 222 CB ALA A 12 22.603 -20.304 4.660 1.00 12.32 C ATOM 0 H ALA A 12 24.555 -20.386 3.129 1.00 41.23 H new ATOM 0 HA ALA A 12 23.455 -18.349 4.828 1.00 54.12 H new ATOM 0 HB1 ALA A 12 21.942 -20.180 5.518 1.00 12.32 H new ATOM 0 HB2 ALA A 12 22.063 -20.055 3.747 1.00 12.32 H new ATOM 0 HB3 ALA A 12 22.943 -21.338 4.610 1.00 12.32 H new ATOM 228 N GLU A 13 24.006 -19.108 7.209 1.00 62.14 N ATOM 229 CA GLU A 13 24.607 -19.297 8.524 1.00 63.14 C ATOM 230 C GLU A 13 23.594 -19.874 9.507 1.00 34.14 C ATOM 231 O GLU A 13 23.934 -20.706 10.349 1.00 14.31 O ATOM 232 CB GLU A 13 25.152 -17.970 9.055 1.00 0.33 C ATOM 233 CG GLU A 13 24.128 -16.848 9.055 1.00 14.40 C ATOM 234 CD GLU A 13 24.673 -15.560 9.641 1.00 12.23 C ATOM 235 OE1 GLU A 13 24.618 -15.402 10.879 1.00 34.20 O ATOM 236 OE2 GLU A 13 25.154 -14.710 8.863 1.00 0.03 O ATOM 0 H GLU A 13 23.167 -18.528 7.208 1.00 62.14 H new ATOM 0 HA GLU A 13 25.430 -20.004 8.421 1.00 63.14 H new ATOM 0 HB2 GLU A 13 25.517 -18.117 10.071 1.00 0.33 H new ATOM 0 HB3 GLU A 13 26.007 -17.670 8.450 1.00 0.33 H new ATOM 0 HG2 GLU A 13 23.795 -16.665 8.033 1.00 14.40 H new ATOM 0 HG3 GLU A 13 23.253 -17.160 9.625 1.00 14.40 H new ATOM 243 N ARG A 14 22.347 -19.426 9.395 1.00 45.11 N ATOM 244 CA ARG A 14 21.284 -19.896 10.275 1.00 42.41 C ATOM 245 C ARG A 14 20.075 -20.358 9.468 1.00 71.34 C ATOM 246 O ARG A 14 20.073 -20.289 8.238 1.00 24.44 O ATOM 247 CB ARG A 14 20.870 -18.788 11.245 1.00 14.12 C ATOM 248 CG ARG A 14 21.970 -18.382 12.212 1.00 33.24 C ATOM 249 CD ARG A 14 22.210 -19.454 13.264 1.00 14.45 C ATOM 250 NE ARG A 14 23.395 -19.174 14.071 1.00 52.54 N ATOM 251 CZ ARG A 14 23.845 -19.984 15.022 1.00 14.12 C ATOM 252 NH1 ARG A 14 23.212 -21.119 15.285 1.00 54.20 N ATOM 253 NH2 ARG A 14 24.930 -19.660 15.713 1.00 42.31 N ATOM 0 H ARG A 14 22.049 -18.738 8.703 1.00 45.11 H new ATOM 0 HA ARG A 14 21.665 -20.744 10.844 1.00 42.41 H new ATOM 0 HB2 ARG A 14 20.560 -17.913 10.673 1.00 14.12 H new ATOM 0 HB3 ARG A 14 20.002 -19.121 11.814 1.00 14.12 H new ATOM 0 HG2 ARG A 14 22.892 -18.199 11.660 1.00 33.24 H new ATOM 0 HG3 ARG A 14 21.700 -17.446 12.700 1.00 33.24 H new ATOM 0 HD2 ARG A 14 21.338 -19.526 13.914 1.00 14.45 H new ATOM 0 HD3 ARG A 14 22.324 -20.422 12.776 1.00 14.45 H new ATOM 0 HE ARG A 14 23.905 -18.308 13.894 1.00 52.54 H new ATOM 0 HH11 ARG A 14 22.377 -21.372 14.756 1.00 54.20 H new ATOM 0 HH12 ARG A 14 23.560 -21.739 16.016 1.00 54.20 H new ATOM 0 HH21 ARG A 14 25.420 -18.788 15.514 1.00 42.31 H new ATOM 0 HH22 ARG A 14 25.275 -20.283 16.443 1.00 42.31 H new ATOM 267 N ASP A 15 19.049 -20.830 10.167 1.00 53.20 N ATOM 268 CA ASP A 15 17.833 -21.304 9.516 1.00 51.43 C ATOM 269 C ASP A 15 17.238 -20.221 8.621 1.00 44.42 C ATOM 270 O ASP A 15 16.835 -20.489 7.489 1.00 11.11 O ATOM 271 CB ASP A 15 16.805 -21.739 10.561 1.00 23.35 C ATOM 272 CG ASP A 15 15.698 -22.587 9.967 1.00 52.21 C ATOM 273 OD1 ASP A 15 14.979 -22.085 9.077 1.00 31.22 O ATOM 274 OD2 ASP A 15 15.551 -23.752 10.391 1.00 74.14 O ATOM 0 H ASP A 15 19.035 -20.895 11.185 1.00 53.20 H new ATOM 0 HA ASP A 15 18.094 -22.161 8.895 1.00 51.43 H new ATOM 0 HB2 ASP A 15 17.307 -22.302 11.348 1.00 23.35 H new ATOM 0 HB3 ASP A 15 16.371 -20.855 11.029 1.00 23.35 H new ATOM 279 N ASP A 16 17.187 -18.997 9.136 1.00 32.20 N ATOM 280 CA ASP A 16 16.642 -17.873 8.384 1.00 75.22 C ATOM 281 C ASP A 16 17.341 -17.731 7.035 1.00 32.34 C ATOM 282 O ASP A 16 16.690 -17.662 5.993 1.00 24.21 O ATOM 283 CB ASP A 16 16.785 -16.578 9.185 1.00 35.31 C ATOM 284 CG ASP A 16 15.766 -16.474 10.303 1.00 1.03 C ATOM 285 OD1 ASP A 16 14.608 -16.891 10.092 1.00 64.04 O ATOM 286 OD2 ASP A 16 16.127 -15.974 11.390 1.00 75.51 O ATOM 0 H ASP A 16 17.517 -18.758 10.071 1.00 32.20 H new ATOM 0 HA ASP A 16 15.584 -18.066 8.206 1.00 75.22 H new ATOM 0 HB2 ASP A 16 17.789 -16.523 9.606 1.00 35.31 H new ATOM 0 HB3 ASP A 16 16.674 -15.725 8.515 1.00 35.31 H new ATOM 291 N GLU A 17 18.669 -17.688 7.065 1.00 41.31 N ATOM 292 CA GLU A 17 19.456 -17.552 5.845 1.00 74.05 C ATOM 293 C GLU A 17 19.202 -18.724 4.901 1.00 52.14 C ATOM 294 O GLU A 17 18.942 -19.845 5.340 1.00 51.10 O ATOM 295 CB GLU A 17 20.946 -17.466 6.179 1.00 42.11 C ATOM 296 CG GLU A 17 21.696 -16.431 5.357 1.00 74.04 C ATOM 297 CD GLU A 17 21.371 -15.009 5.772 1.00 24.34 C ATOM 298 OE1 GLU A 17 20.223 -14.764 6.199 1.00 44.34 O ATOM 299 OE2 GLU A 17 22.265 -14.143 5.671 1.00 14.45 O ATOM 0 H GLU A 17 19.222 -17.745 7.920 1.00 41.31 H new ATOM 0 HA GLU A 17 19.150 -16.632 5.346 1.00 74.05 H new ATOM 0 HB2 GLU A 17 21.059 -17.229 7.237 1.00 42.11 H new ATOM 0 HB3 GLU A 17 21.402 -18.443 6.021 1.00 42.11 H new ATOM 0 HG2 GLU A 17 22.768 -16.599 5.459 1.00 74.04 H new ATOM 0 HG3 GLU A 17 21.451 -16.563 4.303 1.00 74.04 H new ATOM 306 N LEU A 18 19.278 -18.457 3.602 1.00 42.44 N ATOM 307 CA LEU A 18 19.057 -19.488 2.594 1.00 55.11 C ATOM 308 C LEU A 18 20.200 -19.518 1.585 1.00 60.11 C ATOM 309 O LEU A 18 20.474 -18.524 0.912 1.00 72.10 O ATOM 310 CB LEU A 18 17.730 -19.246 1.872 1.00 60.05 C ATOM 311 CG LEU A 18 17.211 -20.402 1.015 1.00 25.04 C ATOM 312 CD1 LEU A 18 16.087 -21.134 1.732 1.00 62.15 C ATOM 313 CD2 LEU A 18 16.741 -19.893 -0.339 1.00 61.24 C ATOM 0 H LEU A 18 19.491 -17.535 3.222 1.00 42.44 H new ATOM 0 HA LEU A 18 19.019 -20.453 3.099 1.00 55.11 H new ATOM 0 HB2 LEU A 18 16.973 -19.004 2.618 1.00 60.05 H new ATOM 0 HB3 LEU A 18 17.841 -18.369 1.235 1.00 60.05 H new ATOM 0 HG LEU A 18 18.028 -21.104 0.852 1.00 25.04 H new ATOM 0 HD11 LEU A 18 15.730 -21.953 1.108 1.00 62.15 H new ATOM 0 HD12 LEU A 18 16.457 -21.532 2.677 1.00 62.15 H new ATOM 0 HD13 LEU A 18 15.268 -20.442 1.926 1.00 62.15 H new ATOM 0 HD21 LEU A 18 16.375 -20.729 -0.935 1.00 61.24 H new ATOM 0 HD22 LEU A 18 15.938 -19.170 -0.197 1.00 61.24 H new ATOM 0 HD23 LEU A 18 17.573 -19.415 -0.857 1.00 61.24 H new ATOM 325 N ASP A 19 20.863 -20.665 1.484 1.00 54.02 N ATOM 326 CA ASP A 19 21.975 -20.826 0.554 1.00 34.22 C ATOM 327 C ASP A 19 21.491 -20.747 -0.890 1.00 61.45 C ATOM 328 O ASP A 19 20.456 -21.314 -1.242 1.00 22.24 O ATOM 329 CB ASP A 19 22.681 -22.161 0.797 1.00 75.23 C ATOM 330 CG ASP A 19 21.772 -23.350 0.549 1.00 3.44 C ATOM 331 OD1 ASP A 19 20.831 -23.552 1.345 1.00 63.24 O ATOM 332 OD2 ASP A 19 22.003 -24.078 -0.439 1.00 41.40 O ATOM 0 H ASP A 19 20.650 -21.497 2.035 1.00 54.02 H new ATOM 0 HA ASP A 19 22.681 -20.014 0.726 1.00 34.22 H new ATOM 0 HB2 ASP A 19 23.553 -22.232 0.146 1.00 75.23 H new ATOM 0 HB3 ASP A 19 23.046 -22.194 1.824 1.00 75.23 H new ATOM 337 N VAL A 20 22.247 -20.040 -1.724 1.00 54.44 N ATOM 338 CA VAL A 20 21.895 -19.886 -3.131 1.00 63.31 C ATOM 339 C VAL A 20 23.136 -19.646 -3.984 1.00 72.43 C ATOM 340 O VAL A 20 24.093 -19.011 -3.542 1.00 32.23 O ATOM 341 CB VAL A 20 20.909 -18.722 -3.340 1.00 2.33 C ATOM 342 CG1 VAL A 20 21.502 -17.421 -2.820 1.00 15.40 C ATOM 343 CG2 VAL A 20 20.535 -18.597 -4.809 1.00 22.40 C ATOM 0 H VAL A 20 23.107 -19.565 -1.450 1.00 54.44 H new ATOM 0 HA VAL A 20 21.418 -20.816 -3.441 1.00 63.31 H new ATOM 0 HB VAL A 20 20.001 -18.932 -2.775 1.00 2.33 H new ATOM 0 HG11 VAL A 20 20.791 -16.609 -2.976 1.00 15.40 H new ATOM 0 HG12 VAL A 20 21.714 -17.518 -1.755 1.00 15.40 H new ATOM 0 HG13 VAL A 20 22.426 -17.202 -3.356 1.00 15.40 H new ATOM 0 HG21 VAL A 20 19.838 -17.769 -4.938 1.00 22.40 H new ATOM 0 HG22 VAL A 20 21.433 -18.410 -5.398 1.00 22.40 H new ATOM 0 HG23 VAL A 20 20.066 -19.522 -5.145 1.00 22.40 H new ATOM 353 N SER A 21 23.112 -20.159 -5.211 1.00 0.44 N ATOM 354 CA SER A 21 24.237 -20.003 -6.126 1.00 35.11 C ATOM 355 C SER A 21 23.937 -18.940 -7.178 1.00 44.51 C ATOM 356 O SER A 21 22.785 -18.585 -7.430 1.00 24.24 O ATOM 357 CB SER A 21 24.555 -21.335 -6.807 1.00 71.42 C ATOM 358 OG SER A 21 25.460 -22.102 -6.031 1.00 14.30 O ATOM 0 H SER A 21 22.327 -20.686 -5.594 1.00 0.44 H new ATOM 0 HA SER A 21 25.103 -19.683 -5.547 1.00 35.11 H new ATOM 0 HB2 SER A 21 23.634 -21.898 -6.959 1.00 71.42 H new ATOM 0 HB3 SER A 21 24.982 -21.150 -7.793 1.00 71.42 H new ATOM 0 HG SER A 21 25.278 -21.958 -5.079 1.00 14.30 H new ATOM 364 N PRO A 22 25.000 -18.417 -7.809 1.00 33.13 N ATOM 365 CA PRO A 22 24.878 -17.387 -8.844 1.00 53.14 C ATOM 366 C PRO A 22 24.258 -17.927 -10.129 1.00 14.44 C ATOM 367 O PRO A 22 24.809 -18.822 -10.767 1.00 71.10 O ATOM 368 CB PRO A 22 26.326 -16.957 -9.090 1.00 23.15 C ATOM 369 CG PRO A 22 27.144 -18.137 -8.691 1.00 40.11 C ATOM 370 CD PRO A 22 26.402 -18.792 -7.559 1.00 73.25 C ATOM 0 HA PRO A 22 24.224 -16.572 -8.533 1.00 53.14 H new ATOM 0 HB2 PRO A 22 26.490 -16.697 -10.136 1.00 23.15 H new ATOM 0 HB3 PRO A 22 26.584 -16.078 -8.499 1.00 23.15 H new ATOM 0 HG2 PRO A 22 27.268 -18.826 -9.526 1.00 40.11 H new ATOM 0 HG3 PRO A 22 28.143 -17.832 -8.378 1.00 40.11 H new ATOM 0 HD2 PRO A 22 26.536 -19.874 -7.563 1.00 73.25 H new ATOM 0 HD3 PRO A 22 26.748 -18.432 -6.590 1.00 73.25 H new ATOM 378 N GLY A 23 23.107 -17.375 -10.502 1.00 51.14 N ATOM 379 CA GLY A 23 22.431 -17.814 -11.709 1.00 43.24 C ATOM 380 C GLY A 23 21.166 -18.594 -11.414 1.00 72.33 C ATOM 381 O GLY A 23 20.526 -19.118 -12.326 1.00 13.35 O ATOM 0 H GLY A 23 22.631 -16.632 -9.990 1.00 51.14 H new ATOM 0 HA2 GLY A 23 22.184 -16.946 -12.320 1.00 43.24 H new ATOM 0 HA3 GLY A 23 23.108 -18.435 -12.296 1.00 43.24 H new ATOM 385 N GLU A 24 20.806 -18.674 -10.137 1.00 54.11 N ATOM 386 CA GLU A 24 19.609 -19.399 -9.725 1.00 43.13 C ATOM 387 C GLU A 24 18.403 -18.467 -9.662 1.00 53.25 C ATOM 388 O GLU A 24 18.549 -17.254 -9.519 1.00 2.10 O ATOM 389 CB GLU A 24 19.830 -20.058 -8.362 1.00 73.42 C ATOM 390 CG GLU A 24 20.505 -21.417 -8.445 1.00 51.04 C ATOM 391 CD GLU A 24 19.588 -22.491 -8.997 1.00 31.54 C ATOM 392 OE1 GLU A 24 18.446 -22.158 -9.377 1.00 32.14 O ATOM 393 OE2 GLU A 24 20.012 -23.665 -9.048 1.00 14.13 O ATOM 0 H GLU A 24 21.325 -18.246 -9.370 1.00 54.11 H new ATOM 0 HA GLU A 24 19.410 -20.172 -10.467 1.00 43.13 H new ATOM 0 HB2 GLU A 24 20.437 -19.398 -7.743 1.00 73.42 H new ATOM 0 HB3 GLU A 24 18.868 -20.169 -7.862 1.00 73.42 H new ATOM 0 HG2 GLU A 24 21.390 -21.341 -9.076 1.00 51.04 H new ATOM 0 HG3 GLU A 24 20.846 -21.711 -7.452 1.00 51.04 H new ATOM 400 N ASN A 25 17.210 -19.044 -9.772 1.00 4.22 N ATOM 401 CA ASN A 25 15.978 -18.265 -9.729 1.00 32.42 C ATOM 402 C ASN A 25 15.278 -18.429 -8.383 1.00 72.01 C ATOM 403 O ASN A 25 15.133 -19.543 -7.878 1.00 11.15 O ATOM 404 CB ASN A 25 15.040 -18.693 -10.859 1.00 61.44 C ATOM 405 CG ASN A 25 15.685 -18.563 -12.226 1.00 31.12 C ATOM 406 OD1 ASN A 25 16.713 -19.182 -12.501 1.00 0.11 O ATOM 407 ND2 ASN A 25 15.082 -17.755 -13.090 1.00 12.22 N ATOM 0 H ASN A 25 17.071 -20.047 -9.891 1.00 4.22 H new ATOM 0 HA ASN A 25 16.237 -17.214 -9.859 1.00 32.42 H new ATOM 0 HB2 ASN A 25 14.734 -19.727 -10.701 1.00 61.44 H new ATOM 0 HB3 ASN A 25 14.136 -18.085 -10.827 1.00 61.44 H new ATOM 0 HD21 ASN A 25 15.469 -17.628 -14.025 1.00 12.22 H new ATOM 0 HD22 ASN A 25 14.231 -17.262 -12.819 1.00 12.22 H new ATOM 414 N LEU A 26 14.845 -17.312 -7.808 1.00 60.51 N ATOM 415 CA LEU A 26 14.159 -17.331 -6.521 1.00 30.02 C ATOM 416 C LEU A 26 12.909 -16.458 -6.557 1.00 41.52 C ATOM 417 O LEU A 26 12.857 -15.461 -7.278 1.00 73.33 O ATOM 418 CB LEU A 26 15.098 -16.851 -5.413 1.00 64.10 C ATOM 419 CG LEU A 26 16.421 -17.606 -5.281 1.00 22.54 C ATOM 420 CD1 LEU A 26 17.504 -16.936 -6.111 1.00 44.21 C ATOM 421 CD2 LEU A 26 16.842 -17.693 -3.821 1.00 4.41 C ATOM 0 H LEU A 26 14.957 -16.382 -8.213 1.00 60.51 H new ATOM 0 HA LEU A 26 13.857 -18.358 -6.314 1.00 30.02 H new ATOM 0 HB2 LEU A 26 15.319 -15.797 -5.583 1.00 64.10 H new ATOM 0 HB3 LEU A 26 14.569 -16.916 -4.462 1.00 64.10 H new ATOM 0 HG LEU A 26 16.278 -18.619 -5.658 1.00 22.54 H new ATOM 0 HD11 LEU A 26 18.438 -17.488 -6.004 1.00 44.21 H new ATOM 0 HD12 LEU A 26 17.206 -16.927 -7.159 1.00 44.21 H new ATOM 0 HD13 LEU A 26 17.646 -15.912 -5.765 1.00 44.21 H new ATOM 0 HD21 LEU A 26 17.786 -18.234 -3.746 1.00 4.41 H new ATOM 0 HD22 LEU A 26 16.966 -16.688 -3.418 1.00 4.41 H new ATOM 0 HD23 LEU A 26 16.076 -18.220 -3.252 1.00 4.41 H new ATOM 433 N SER A 27 11.905 -16.837 -5.773 1.00 41.10 N ATOM 434 CA SER A 27 10.655 -16.089 -5.717 1.00 35.24 C ATOM 435 C SER A 27 10.608 -15.201 -4.477 1.00 20.00 C ATOM 436 O SER A 27 10.545 -15.693 -3.350 1.00 11.11 O ATOM 437 CB SER A 27 9.462 -17.048 -5.716 1.00 42.32 C ATOM 438 OG SER A 27 8.308 -16.426 -6.253 1.00 53.23 O ATOM 0 H SER A 27 11.933 -17.658 -5.168 1.00 41.10 H new ATOM 0 HA SER A 27 10.601 -15.453 -6.601 1.00 35.24 H new ATOM 0 HB2 SER A 27 9.705 -17.936 -6.299 1.00 42.32 H new ATOM 0 HB3 SER A 27 9.259 -17.381 -4.698 1.00 42.32 H new ATOM 0 HG SER A 27 8.274 -16.580 -7.220 1.00 53.23 H new ATOM 444 N ILE A 28 10.640 -13.891 -4.694 1.00 52.43 N ATOM 445 CA ILE A 28 10.600 -12.933 -3.596 1.00 23.42 C ATOM 446 C ILE A 28 9.187 -12.790 -3.042 1.00 73.11 C ATOM 447 O ILE A 28 8.205 -12.966 -3.765 1.00 22.20 O ATOM 448 CB ILE A 28 11.110 -11.549 -4.037 1.00 54.41 C ATOM 449 CG1 ILE A 28 12.494 -11.670 -4.677 1.00 21.32 C ATOM 450 CG2 ILE A 28 11.150 -10.596 -2.851 1.00 72.42 C ATOM 451 CD1 ILE A 28 12.999 -10.376 -5.276 1.00 31.23 C ATOM 0 H ILE A 28 10.694 -13.468 -5.621 1.00 52.43 H new ATOM 0 HA ILE A 28 11.255 -13.320 -2.816 1.00 23.42 H new ATOM 0 HB ILE A 28 10.422 -11.145 -4.780 1.00 54.41 H new ATOM 0 HG12 ILE A 28 13.204 -12.014 -3.925 1.00 21.32 H new ATOM 0 HG13 ILE A 28 12.460 -12.432 -5.456 1.00 21.32 H new ATOM 0 HG21 ILE A 28 11.513 -9.622 -3.179 1.00 72.42 H new ATOM 0 HG22 ILE A 28 10.148 -10.489 -2.436 1.00 72.42 H new ATOM 0 HG23 ILE A 28 11.818 -10.994 -2.087 1.00 72.42 H new ATOM 0 HD11 ILE A 28 13.985 -10.537 -5.712 1.00 31.23 H new ATOM 0 HD12 ILE A 28 12.310 -10.041 -6.051 1.00 31.23 H new ATOM 0 HD13 ILE A 28 13.066 -9.616 -4.497 1.00 31.23 H new ATOM 463 N CYS A 29 9.091 -12.468 -1.757 1.00 74.00 N ATOM 464 CA CYS A 29 7.796 -12.300 -1.106 1.00 3.52 C ATOM 465 C CYS A 29 7.703 -10.938 -0.425 1.00 43.44 C ATOM 466 O CYS A 29 6.645 -10.309 -0.414 1.00 62.41 O ATOM 467 CB CYS A 29 7.569 -13.412 -0.081 1.00 1.31 C ATOM 468 SG CYS A 29 7.841 -15.078 -0.728 1.00 24.25 S ATOM 0 H CYS A 29 9.893 -12.318 -1.145 1.00 74.00 H new ATOM 0 HA CYS A 29 7.022 -12.358 -1.871 1.00 3.52 H new ATOM 0 HB2 CYS A 29 8.233 -13.250 0.768 1.00 1.31 H new ATOM 0 HB3 CYS A 29 6.548 -13.342 0.295 1.00 1.31 H new ATOM 0 HG CYS A 29 7.627 -15.949 0.213 1.00 24.25 H new ATOM 474 N ALA A 30 8.818 -10.488 0.142 1.00 33.33 N ATOM 475 CA ALA A 30 8.862 -9.201 0.825 1.00 40.04 C ATOM 476 C ALA A 30 10.293 -8.683 0.927 1.00 55.33 C ATOM 477 O ALA A 30 11.234 -9.337 0.478 1.00 42.04 O ATOM 478 CB ALA A 30 8.240 -9.315 2.208 1.00 20.55 C ATOM 0 H ALA A 30 9.703 -10.996 0.142 1.00 33.33 H new ATOM 0 HA ALA A 30 8.285 -8.486 0.238 1.00 40.04 H new ATOM 0 HB1 ALA A 30 8.280 -8.346 2.706 1.00 20.55 H new ATOM 0 HB2 ALA A 30 7.201 -9.632 2.115 1.00 20.55 H new ATOM 0 HB3 ALA A 30 8.792 -10.048 2.796 1.00 20.55 H new ATOM 484 N HIS A 31 10.449 -7.503 1.520 1.00 71.25 N ATOM 485 CA HIS A 31 11.766 -6.897 1.680 1.00 13.03 C ATOM 486 C HIS A 31 11.959 -6.388 3.106 1.00 42.04 C ATOM 487 O HIS A 31 11.057 -6.485 3.938 1.00 53.54 O ATOM 488 CB HIS A 31 11.946 -5.749 0.687 1.00 4.53 C ATOM 489 CG HIS A 31 11.166 -4.521 1.043 1.00 51.30 C ATOM 490 ND1 HIS A 31 11.730 -3.265 1.115 1.00 3.30 N ATOM 491 CD2 HIS A 31 9.856 -4.361 1.346 1.00 24.10 C ATOM 492 CE1 HIS A 31 10.802 -2.386 1.449 1.00 42.22 C ATOM 493 NE2 HIS A 31 9.656 -3.025 1.594 1.00 32.54 N ATOM 0 H HIS A 31 9.681 -6.948 1.897 1.00 71.25 H new ATOM 0 HA HIS A 31 12.518 -7.661 1.480 1.00 13.03 H new ATOM 0 HB2 HIS A 31 13.004 -5.493 0.628 1.00 4.53 H new ATOM 0 HB3 HIS A 31 11.644 -6.086 -0.304 1.00 4.53 H new ATOM 0 HD2 HIS A 31 9.108 -5.139 1.385 1.00 24.10 H new ATOM 0 HE1 HIS A 31 10.955 -1.325 1.581 1.00 42.22 H new ATOM 0 HE2 HIS A 31 8.766 -2.596 1.849 1.00 32.54 H new ATOM 501 N TYR A 32 13.141 -5.847 3.380 1.00 71.20 N ATOM 502 CA TYR A 32 13.454 -5.326 4.705 1.00 32.14 C ATOM 503 C TYR A 32 14.201 -4.000 4.607 1.00 44.12 C ATOM 504 O TYR A 32 15.412 -3.972 4.387 1.00 44.12 O ATOM 505 CB TYR A 32 14.290 -6.339 5.490 1.00 13.51 C ATOM 506 CG TYR A 32 14.435 -5.997 6.956 1.00 71.30 C ATOM 507 CD1 TYR A 32 13.436 -6.320 7.867 1.00 40.25 C ATOM 508 CD2 TYR A 32 15.570 -5.352 7.430 1.00 10.33 C ATOM 509 CE1 TYR A 32 13.564 -6.009 9.207 1.00 72.44 C ATOM 510 CE2 TYR A 32 15.707 -5.039 8.769 1.00 50.22 C ATOM 511 CZ TYR A 32 14.701 -5.369 9.653 1.00 62.41 C ATOM 512 OH TYR A 32 14.833 -5.058 10.987 1.00 63.22 O ATOM 0 H TYR A 32 13.898 -5.758 2.702 1.00 71.20 H new ATOM 0 HA TYR A 32 12.515 -5.155 5.231 1.00 32.14 H new ATOM 0 HB2 TYR A 32 13.832 -7.324 5.399 1.00 13.51 H new ATOM 0 HB3 TYR A 32 15.281 -6.405 5.041 1.00 13.51 H new ATOM 0 HD1 TYR A 32 12.545 -6.823 7.521 1.00 40.25 H new ATOM 0 HD2 TYR A 32 16.359 -5.091 6.740 1.00 10.33 H new ATOM 0 HE1 TYR A 32 12.778 -6.266 9.901 1.00 72.44 H new ATOM 0 HE2 TYR A 32 16.597 -4.539 9.121 1.00 50.22 H new ATOM 0 HH TYR A 32 15.692 -4.611 11.135 1.00 63.22 H new ATOM 522 N ASP A 33 13.471 -2.903 4.772 1.00 53.11 N ATOM 523 CA ASP A 33 14.063 -1.572 4.704 1.00 62.13 C ATOM 524 C ASP A 33 14.848 -1.392 3.408 1.00 71.41 C ATOM 525 O ASP A 33 15.788 -0.600 3.344 1.00 11.34 O ATOM 526 CB ASP A 33 14.979 -1.336 5.906 1.00 52.12 C ATOM 527 CG ASP A 33 15.433 0.106 6.013 1.00 44.41 C ATOM 528 OD1 ASP A 33 14.566 1.005 5.995 1.00 1.14 O ATOM 529 OD2 ASP A 33 16.656 0.336 6.115 1.00 44.51 O ATOM 0 H ASP A 33 12.467 -2.909 4.954 1.00 53.11 H new ATOM 0 HA ASP A 33 13.255 -0.841 4.723 1.00 62.13 H new ATOM 0 HB2 ASP A 33 14.455 -1.618 6.819 1.00 52.12 H new ATOM 0 HB3 ASP A 33 15.852 -1.984 5.827 1.00 52.12 H new ATOM 534 N TYR A 34 14.456 -2.134 2.378 1.00 43.24 N ATOM 535 CA TYR A 34 15.125 -2.059 1.084 1.00 21.02 C ATOM 536 C TYR A 34 16.580 -2.503 1.197 1.00 62.52 C ATOM 537 O TYR A 34 17.428 -2.093 0.405 1.00 23.32 O ATOM 538 CB TYR A 34 15.057 -0.634 0.533 1.00 53.13 C ATOM 539 CG TYR A 34 13.674 -0.026 0.596 1.00 52.11 C ATOM 540 CD1 TYR A 34 13.245 0.658 1.727 1.00 22.53 C ATOM 541 CD2 TYR A 34 12.795 -0.136 -0.475 1.00 4.40 C ATOM 542 CE1 TYR A 34 11.982 1.214 1.790 1.00 43.11 C ATOM 543 CE2 TYR A 34 11.531 0.419 -0.422 1.00 4.03 C ATOM 544 CZ TYR A 34 11.129 1.093 0.713 1.00 64.42 C ATOM 545 OH TYR A 34 9.870 1.645 0.770 1.00 5.33 O ATOM 0 H TYR A 34 13.679 -2.794 2.414 1.00 43.24 H new ATOM 0 HA TYR A 34 14.610 -2.732 0.398 1.00 21.02 H new ATOM 0 HB2 TYR A 34 15.748 -0.004 1.093 1.00 53.13 H new ATOM 0 HB3 TYR A 34 15.397 -0.637 -0.503 1.00 53.13 H new ATOM 0 HD1 TYR A 34 13.911 0.757 2.572 1.00 22.53 H new ATOM 0 HD2 TYR A 34 13.106 -0.665 -1.364 1.00 4.40 H new ATOM 0 HE1 TYR A 34 11.664 1.741 2.678 1.00 43.11 H new ATOM 0 HE2 TYR A 34 10.861 0.326 -1.264 1.00 4.03 H new ATOM 0 HH TYR A 34 9.398 1.471 -0.071 1.00 5.33 H new ATOM 555 N GLU A 35 16.860 -3.346 2.187 1.00 41.44 N ATOM 556 CA GLU A 35 18.212 -3.846 2.404 1.00 64.15 C ATOM 557 C GLU A 35 18.281 -5.351 2.162 1.00 73.31 C ATOM 558 O GLU A 35 19.243 -5.854 1.582 1.00 21.20 O ATOM 559 CB GLU A 35 18.677 -3.525 3.826 1.00 71.23 C ATOM 560 CG GLU A 35 18.211 -2.169 4.327 1.00 55.32 C ATOM 561 CD GLU A 35 18.721 -1.024 3.473 1.00 70.31 C ATOM 562 OE1 GLU A 35 19.559 -1.278 2.582 1.00 54.33 O ATOM 563 OE2 GLU A 35 18.284 0.124 3.696 1.00 74.25 O ATOM 0 H GLU A 35 16.169 -3.696 2.850 1.00 41.44 H new ATOM 0 HA GLU A 35 18.873 -3.350 1.693 1.00 64.15 H new ATOM 0 HB2 GLU A 35 18.311 -4.298 4.502 1.00 71.23 H new ATOM 0 HB3 GLU A 35 19.766 -3.561 3.860 1.00 71.23 H new ATOM 0 HG2 GLU A 35 17.121 -2.147 4.344 1.00 55.32 H new ATOM 0 HG3 GLU A 35 18.549 -2.030 5.354 1.00 55.32 H new ATOM 570 N TRP A 36 17.254 -6.063 2.611 1.00 73.41 N ATOM 571 CA TRP A 36 17.197 -7.511 2.444 1.00 31.34 C ATOM 572 C TRP A 36 15.942 -7.923 1.682 1.00 45.34 C ATOM 573 O TRP A 36 14.942 -7.204 1.679 1.00 65.55 O ATOM 574 CB TRP A 36 17.230 -8.204 3.808 1.00 52.22 C ATOM 575 CG TRP A 36 18.438 -7.854 4.623 1.00 51.22 C ATOM 576 CD1 TRP A 36 18.544 -6.848 5.540 1.00 3.41 C ATOM 577 CD2 TRP A 36 19.711 -8.508 4.592 1.00 2.31 C ATOM 578 NE1 TRP A 36 19.807 -6.837 6.082 1.00 42.34 N ATOM 579 CE2 TRP A 36 20.542 -7.846 5.517 1.00 11.24 C ATOM 580 CE3 TRP A 36 20.230 -9.589 3.875 1.00 72.10 C ATOM 581 CZ2 TRP A 36 21.861 -8.231 5.741 1.00 42.51 C ATOM 582 CZ3 TRP A 36 21.539 -9.970 4.098 1.00 45.52 C ATOM 583 CH2 TRP A 36 22.343 -9.292 5.025 1.00 71.42 C ATOM 0 H TRP A 36 16.450 -5.662 3.093 1.00 73.41 H new ATOM 0 HA TRP A 36 18.068 -7.819 1.866 1.00 31.34 H new ATOM 0 HB2 TRP A 36 16.333 -7.934 4.366 1.00 52.22 H new ATOM 0 HB3 TRP A 36 17.201 -9.283 3.660 1.00 52.22 H new ATOM 0 HD1 TRP A 36 17.752 -6.162 5.801 1.00 3.41 H new ATOM 0 HE1 TRP A 36 20.143 -6.184 6.790 1.00 42.34 H new ATOM 0 HE3 TRP A 36 19.618 -10.118 3.159 1.00 72.10 H new ATOM 0 HZ2 TRP A 36 22.482 -7.710 6.455 1.00 42.51 H new ATOM 0 HZ3 TRP A 36 21.950 -10.804 3.549 1.00 45.52 H new ATOM 0 HH2 TRP A 36 23.363 -9.614 5.177 1.00 71.42 H new ATOM 594 N PHE A 37 16.002 -9.083 1.036 1.00 55.32 N ATOM 595 CA PHE A 37 14.870 -9.589 0.268 1.00 15.05 C ATOM 596 C PHE A 37 14.533 -11.020 0.676 1.00 35.24 C ATOM 597 O PHE A 37 15.412 -11.880 0.748 1.00 15.40 O ATOM 598 CB PHE A 37 15.175 -9.532 -1.230 1.00 25.33 C ATOM 599 CG PHE A 37 14.631 -8.307 -1.907 1.00 30.13 C ATOM 600 CD1 PHE A 37 13.282 -8.000 -1.833 1.00 31.41 C ATOM 601 CD2 PHE A 37 15.468 -7.462 -2.617 1.00 64.45 C ATOM 602 CE1 PHE A 37 12.778 -6.873 -2.455 1.00 34.55 C ATOM 603 CE2 PHE A 37 14.970 -6.334 -3.241 1.00 11.13 C ATOM 604 CZ PHE A 37 13.623 -6.040 -3.160 1.00 52.22 C ATOM 0 H PHE A 37 16.822 -9.690 1.029 1.00 55.32 H new ATOM 0 HA PHE A 37 14.008 -8.956 0.480 1.00 15.05 H new ATOM 0 HB2 PHE A 37 16.255 -9.568 -1.374 1.00 25.33 H new ATOM 0 HB3 PHE A 37 14.760 -10.418 -1.711 1.00 25.33 H new ATOM 0 HD1 PHE A 37 12.616 -8.649 -1.283 1.00 31.41 H new ATOM 0 HD2 PHE A 37 16.522 -7.687 -2.684 1.00 64.45 H new ATOM 0 HE1 PHE A 37 11.724 -6.645 -2.389 1.00 34.55 H new ATOM 0 HE2 PHE A 37 15.633 -5.683 -3.791 1.00 11.13 H new ATOM 0 HZ PHE A 37 13.231 -5.160 -3.648 1.00 52.22 H new ATOM 614 N ILE A 38 13.255 -11.268 0.943 1.00 14.40 N ATOM 615 CA ILE A 38 12.801 -12.594 1.343 1.00 1.22 C ATOM 616 C ILE A 38 12.379 -13.419 0.132 1.00 23.13 C ATOM 617 O ILE A 38 11.237 -13.338 -0.319 1.00 64.34 O ATOM 618 CB ILE A 38 11.622 -12.511 2.330 1.00 32.53 C ATOM 619 CG1 ILE A 38 11.904 -11.464 3.409 1.00 32.14 C ATOM 620 CG2 ILE A 38 11.362 -13.872 2.960 1.00 42.11 C ATOM 621 CD1 ILE A 38 13.107 -11.788 4.266 1.00 24.34 C ATOM 0 H ILE A 38 12.515 -10.568 0.889 1.00 14.40 H new ATOM 0 HA ILE A 38 13.643 -13.081 1.835 1.00 1.22 H new ATOM 0 HB ILE A 38 10.729 -12.209 1.782 1.00 32.53 H new ATOM 0 HG12 ILE A 38 12.058 -10.496 2.933 1.00 32.14 H new ATOM 0 HG13 ILE A 38 11.027 -11.369 4.049 1.00 32.14 H new ATOM 0 HG21 ILE A 38 10.526 -13.797 3.655 1.00 42.11 H new ATOM 0 HG22 ILE A 38 11.122 -14.594 2.180 1.00 42.11 H new ATOM 0 HG23 ILE A 38 12.252 -14.200 3.497 1.00 42.11 H new ATOM 0 HD11 ILE A 38 13.247 -11.003 5.009 1.00 24.34 H new ATOM 0 HD12 ILE A 38 12.948 -12.741 4.771 1.00 24.34 H new ATOM 0 HD13 ILE A 38 13.995 -11.854 3.637 1.00 24.34 H new ATOM 633 N ALA A 39 13.308 -14.214 -0.388 1.00 25.33 N ATOM 634 CA ALA A 39 13.032 -15.058 -1.544 1.00 1.12 C ATOM 635 C ALA A 39 13.146 -16.536 -1.185 1.00 43.41 C ATOM 636 O ALA A 39 13.818 -16.901 -0.220 1.00 62.02 O ATOM 637 CB ALA A 39 13.978 -14.715 -2.685 1.00 70.33 C ATOM 0 H ALA A 39 14.259 -14.291 -0.027 1.00 25.33 H new ATOM 0 HA ALA A 39 12.008 -14.868 -1.866 1.00 1.12 H new ATOM 0 HB1 ALA A 39 13.761 -15.353 -3.542 1.00 70.33 H new ATOM 0 HB2 ALA A 39 13.844 -13.671 -2.967 1.00 70.33 H new ATOM 0 HB3 ALA A 39 15.007 -14.876 -2.365 1.00 70.33 H new ATOM 643 N LYS A 40 12.485 -17.382 -1.967 1.00 63.31 N ATOM 644 CA LYS A 40 12.512 -18.821 -1.733 1.00 24.20 C ATOM 645 C LYS A 40 13.013 -19.564 -2.968 1.00 32.03 C ATOM 646 O LYS A 40 12.938 -19.069 -4.092 1.00 53.15 O ATOM 647 CB LYS A 40 11.118 -19.323 -1.353 1.00 74.31 C ATOM 648 CG LYS A 40 10.008 -18.748 -2.216 1.00 0.52 C ATOM 649 CD LYS A 40 8.647 -19.282 -1.803 1.00 53.32 C ATOM 650 CE LYS A 40 7.689 -19.339 -2.984 1.00 24.33 C ATOM 651 NZ LYS A 40 8.078 -20.393 -3.962 1.00 33.02 N ATOM 0 H LYS A 40 11.923 -17.096 -2.769 1.00 63.31 H new ATOM 0 HA LYS A 40 13.199 -19.017 -0.909 1.00 24.20 H new ATOM 0 HB2 LYS A 40 11.099 -20.410 -1.429 1.00 74.31 H new ATOM 0 HB3 LYS A 40 10.923 -19.073 -0.310 1.00 74.31 H new ATOM 0 HG2 LYS A 40 10.012 -17.661 -2.139 1.00 0.52 H new ATOM 0 HG3 LYS A 40 10.194 -18.994 -3.261 1.00 0.52 H new ATOM 0 HD2 LYS A 40 8.760 -20.279 -1.376 1.00 53.32 H new ATOM 0 HD3 LYS A 40 8.227 -18.647 -1.023 1.00 53.32 H new ATOM 0 HE2 LYS A 40 6.679 -19.533 -2.623 1.00 24.33 H new ATOM 0 HE3 LYS A 40 7.669 -18.370 -3.483 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 7.254 -20.649 -4.542 1.00 33.02 H new ATOM 0 HZ2 LYS A 40 8.836 -20.033 -4.577 1.00 33.02 H new ATOM 0 HZ3 LYS A 40 8.416 -21.233 -3.451 1.00 33.02 H new ATOM 665 N PRO A 41 13.535 -20.781 -2.756 1.00 74.41 N ATOM 666 CA PRO A 41 14.055 -21.619 -3.841 1.00 4.14 C ATOM 667 C PRO A 41 12.950 -22.144 -4.750 1.00 54.50 C ATOM 668 O PRO A 41 11.972 -22.727 -4.281 1.00 11.12 O ATOM 669 CB PRO A 41 14.734 -22.775 -3.102 1.00 35.25 C ATOM 670 CG PRO A 41 14.034 -22.848 -1.788 1.00 54.24 C ATOM 671 CD PRO A 41 13.656 -21.434 -1.442 1.00 31.23 C ATOM 0 HA PRO A 41 14.724 -21.064 -4.499 1.00 4.14 H new ATOM 0 HB2 PRO A 41 14.637 -23.709 -3.655 1.00 35.25 H new ATOM 0 HB3 PRO A 41 15.800 -22.590 -2.973 1.00 35.25 H new ATOM 0 HG2 PRO A 41 13.151 -23.484 -1.851 1.00 54.24 H new ATOM 0 HG3 PRO A 41 14.682 -23.277 -1.024 1.00 54.24 H new ATOM 0 HD2 PRO A 41 12.720 -21.393 -0.885 1.00 31.23 H new ATOM 0 HD3 PRO A 41 14.415 -20.955 -0.824 1.00 31.23 H new ATOM 679 N ILE A 42 13.111 -21.933 -6.052 1.00 11.20 N ATOM 680 CA ILE A 42 12.126 -22.386 -7.026 1.00 63.44 C ATOM 681 C ILE A 42 12.367 -23.841 -7.415 1.00 64.02 C ATOM 682 O ILE A 42 11.432 -24.635 -7.498 1.00 34.21 O ATOM 683 CB ILE A 42 12.150 -21.516 -8.297 1.00 72.51 C ATOM 684 CG1 ILE A 42 11.986 -20.039 -7.933 1.00 60.33 C ATOM 685 CG2 ILE A 42 11.056 -21.955 -9.259 1.00 41.05 C ATOM 686 CD1 ILE A 42 12.161 -19.104 -9.109 1.00 63.45 C ATOM 0 H ILE A 42 13.914 -21.451 -6.457 1.00 11.20 H new ATOM 0 HA ILE A 42 11.149 -22.296 -6.552 1.00 63.44 H new ATOM 0 HB ILE A 42 13.114 -21.644 -8.790 1.00 72.51 H new ATOM 0 HG12 ILE A 42 10.996 -19.887 -7.502 1.00 60.33 H new ATOM 0 HG13 ILE A 42 12.712 -19.780 -7.162 1.00 60.33 H new ATOM 0 HG21 ILE A 42 11.085 -21.331 -10.152 1.00 41.05 H new ATOM 0 HG22 ILE A 42 11.214 -22.997 -9.538 1.00 41.05 H new ATOM 0 HG23 ILE A 42 10.084 -21.852 -8.776 1.00 41.05 H new ATOM 0 HD11 ILE A 42 12.031 -18.074 -8.777 1.00 63.45 H new ATOM 0 HD12 ILE A 42 13.160 -19.228 -9.527 1.00 63.45 H new ATOM 0 HD13 ILE A 42 11.418 -19.336 -9.872 1.00 63.45 H new ATOM 769 N PRO A 47 10.813 -19.679 2.035 1.00 24.02 N ATOM 770 CA PRO A 47 11.203 -18.273 2.175 1.00 13.34 C ATOM 771 C PRO A 47 12.279 -18.072 3.237 1.00 35.23 C ATOM 772 O PRO A 47 12.193 -18.624 4.334 1.00 51.14 O ATOM 773 CB PRO A 47 9.902 -17.585 2.596 1.00 54.32 C ATOM 774 CG PRO A 47 9.100 -18.657 3.250 1.00 5.22 C ATOM 775 CD PRO A 47 9.451 -19.932 2.534 1.00 40.53 C ATOM 0 HA PRO A 47 11.634 -17.876 1.256 1.00 13.34 H new ATOM 0 HB2 PRO A 47 10.095 -16.760 3.282 1.00 54.32 H new ATOM 0 HB3 PRO A 47 9.378 -17.168 1.736 1.00 54.32 H new ATOM 0 HG2 PRO A 47 9.336 -18.728 4.312 1.00 5.22 H new ATOM 0 HG3 PRO A 47 8.033 -18.448 3.174 1.00 5.22 H new ATOM 0 HD2 PRO A 47 9.422 -20.791 3.205 1.00 40.53 H new ATOM 0 HD3 PRO A 47 8.757 -20.140 1.720 1.00 40.53 H new ATOM 783 N GLY A 48 13.292 -17.278 2.904 1.00 13.15 N ATOM 784 CA GLY A 48 14.370 -17.019 3.841 1.00 54.41 C ATOM 785 C GLY A 48 14.775 -15.558 3.868 1.00 21.32 C ATOM 786 O GLY A 48 13.960 -14.685 4.169 1.00 20.34 O ATOM 0 H GLY A 48 13.386 -16.810 2.003 1.00 13.15 H new ATOM 0 HA2 GLY A 48 14.061 -17.326 4.840 1.00 54.41 H new ATOM 0 HA3 GLY A 48 15.234 -17.628 3.574 1.00 54.41 H new ATOM 790 N LEU A 49 16.038 -15.291 3.555 1.00 40.23 N ATOM 791 CA LEU A 49 16.551 -13.925 3.546 1.00 64.41 C ATOM 792 C LEU A 49 17.815 -13.824 2.697 1.00 32.13 C ATOM 793 O LEU A 49 18.778 -14.561 2.909 1.00 43.31 O ATOM 794 CB LEU A 49 16.844 -13.460 4.974 1.00 73.34 C ATOM 795 CG LEU A 49 16.351 -12.059 5.337 1.00 22.11 C ATOM 796 CD1 LEU A 49 15.551 -12.093 6.630 1.00 22.10 C ATOM 797 CD2 LEU A 49 17.524 -11.096 5.458 1.00 35.54 C ATOM 0 H LEU A 49 16.726 -16.002 3.304 1.00 40.23 H new ATOM 0 HA LEU A 49 15.789 -13.280 3.109 1.00 64.41 H new ATOM 0 HB2 LEU A 49 16.395 -14.172 5.666 1.00 73.34 H new ATOM 0 HB3 LEU A 49 17.922 -13.497 5.133 1.00 73.34 H new ATOM 0 HG LEU A 49 15.698 -11.706 4.539 1.00 22.11 H new ATOM 0 HD11 LEU A 49 15.208 -11.087 6.872 1.00 22.10 H new ATOM 0 HD12 LEU A 49 14.690 -12.750 6.508 1.00 22.10 H new ATOM 0 HD13 LEU A 49 16.181 -12.466 7.438 1.00 22.10 H new ATOM 0 HD21 LEU A 49 17.155 -10.104 5.717 1.00 35.54 H new ATOM 0 HD22 LEU A 49 18.203 -11.445 6.236 1.00 35.54 H new ATOM 0 HD23 LEU A 49 18.056 -11.049 4.508 1.00 35.54 H new ATOM 809 N VAL A 50 17.804 -12.905 1.737 1.00 44.00 N ATOM 810 CA VAL A 50 18.950 -12.704 0.858 1.00 25.53 C ATOM 811 C VAL A 50 19.238 -11.220 0.661 1.00 65.53 C ATOM 812 O VAL A 50 18.332 -10.403 0.501 1.00 1.40 O ATOM 813 CB VAL A 50 18.725 -13.360 -0.517 1.00 54.11 C ATOM 814 CG1 VAL A 50 18.139 -14.754 -0.355 1.00 20.34 C ATOM 815 CG2 VAL A 50 17.822 -12.491 -1.379 1.00 52.43 C ATOM 0 H VAL A 50 17.014 -12.288 1.548 1.00 44.00 H new ATOM 0 HA VAL A 50 19.806 -13.176 1.341 1.00 25.53 H new ATOM 0 HB VAL A 50 19.689 -13.453 -1.018 1.00 54.11 H new ATOM 0 HG11 VAL A 50 17.987 -15.201 -1.337 1.00 20.34 H new ATOM 0 HG12 VAL A 50 18.826 -15.372 0.223 1.00 20.34 H new ATOM 0 HG13 VAL A 50 17.184 -14.689 0.166 1.00 20.34 H new ATOM 0 HG21 VAL A 50 17.673 -12.969 -2.347 1.00 52.43 H new ATOM 0 HG22 VAL A 50 16.859 -12.365 -0.885 1.00 52.43 H new ATOM 0 HG23 VAL A 50 18.286 -11.515 -1.524 1.00 52.43 H new ATOM 825 N PRO A 51 20.531 -10.862 0.671 1.00 70.12 N ATOM 826 CA PRO A 51 20.969 -9.475 0.493 1.00 41.41 C ATOM 827 C PRO A 51 20.740 -8.972 -0.928 1.00 54.23 C ATOM 828 O PRO A 51 21.120 -9.627 -1.898 1.00 64.14 O ATOM 829 CB PRO A 51 22.467 -9.533 0.804 1.00 12.11 C ATOM 830 CG PRO A 51 22.860 -10.940 0.512 1.00 51.23 C ATOM 831 CD PRO A 51 21.664 -11.784 0.856 1.00 22.01 C ATOM 0 HA PRO A 51 20.413 -8.788 1.131 1.00 41.41 H new ATOM 0 HB2 PRO A 51 23.027 -8.830 0.188 1.00 12.11 H new ATOM 0 HB3 PRO A 51 22.666 -9.274 1.844 1.00 12.11 H new ATOM 0 HG2 PRO A 51 23.133 -11.059 -0.536 1.00 51.23 H new ATOM 0 HG3 PRO A 51 23.728 -11.233 1.103 1.00 51.23 H new ATOM 0 HD2 PRO A 51 21.585 -12.654 0.204 1.00 22.01 H new ATOM 0 HD3 PRO A 51 21.716 -12.157 1.879 1.00 22.01 H new ATOM 839 N VAL A 52 20.115 -7.804 -1.044 1.00 71.24 N ATOM 840 CA VAL A 52 19.836 -7.213 -2.348 1.00 0.35 C ATOM 841 C VAL A 52 21.118 -7.023 -3.151 1.00 31.42 C ATOM 842 O VAL A 52 21.085 -6.923 -4.377 1.00 61.52 O ATOM 843 CB VAL A 52 19.126 -5.853 -2.206 1.00 61.14 C ATOM 844 CG1 VAL A 52 18.679 -5.340 -3.567 1.00 30.32 C ATOM 845 CG2 VAL A 52 17.944 -5.966 -1.255 1.00 43.22 C ATOM 0 H VAL A 52 19.793 -7.249 -0.251 1.00 71.24 H new ATOM 0 HA VAL A 52 19.180 -7.905 -2.876 1.00 0.35 H new ATOM 0 HB VAL A 52 19.832 -5.136 -1.788 1.00 61.14 H new ATOM 0 HG11 VAL A 52 18.180 -4.379 -3.447 1.00 30.32 H new ATOM 0 HG12 VAL A 52 19.548 -5.219 -4.214 1.00 30.32 H new ATOM 0 HG13 VAL A 52 17.989 -6.054 -4.016 1.00 30.32 H new ATOM 0 HG21 VAL A 52 17.454 -4.996 -1.166 1.00 43.22 H new ATOM 0 HG22 VAL A 52 17.234 -6.697 -1.642 1.00 43.22 H new ATOM 0 HG23 VAL A 52 18.296 -6.286 -0.274 1.00 43.22 H new ATOM 855 N SER A 53 22.247 -6.975 -2.451 1.00 32.43 N ATOM 856 CA SER A 53 23.541 -6.795 -3.098 1.00 53.33 C ATOM 857 C SER A 53 23.981 -8.076 -3.800 1.00 32.23 C ATOM 858 O SER A 53 24.993 -8.097 -4.501 1.00 33.31 O ATOM 859 CB SER A 53 24.594 -6.374 -2.072 1.00 22.12 C ATOM 860 OG SER A 53 24.393 -7.035 -0.834 1.00 52.34 O ATOM 0 H SER A 53 22.291 -7.058 -1.435 1.00 32.43 H new ATOM 0 HA SER A 53 23.439 -6.009 -3.846 1.00 53.33 H new ATOM 0 HB2 SER A 53 25.589 -6.603 -2.453 1.00 22.12 H new ATOM 0 HB3 SER A 53 24.550 -5.295 -1.923 1.00 22.12 H new ATOM 0 HG SER A 53 24.985 -7.814 -0.779 1.00 52.34 H new ATOM 866 N TYR A 54 23.213 -9.143 -3.605 1.00 45.21 N ATOM 867 CA TYR A 54 23.524 -10.430 -4.216 1.00 42.42 C ATOM 868 C TYR A 54 22.393 -10.884 -5.134 1.00 23.33 C ATOM 869 O TYR A 54 22.609 -11.655 -6.069 1.00 53.13 O ATOM 870 CB TYR A 54 23.775 -11.483 -3.136 1.00 72.52 C ATOM 871 CG TYR A 54 25.066 -11.278 -2.378 1.00 4.25 C ATOM 872 CD1 TYR A 54 25.262 -10.147 -1.594 1.00 31.22 C ATOM 873 CD2 TYR A 54 26.091 -12.213 -2.445 1.00 64.21 C ATOM 874 CE1 TYR A 54 26.441 -9.955 -0.899 1.00 54.43 C ATOM 875 CE2 TYR A 54 27.273 -12.030 -1.753 1.00 13.41 C ATOM 876 CZ TYR A 54 27.443 -10.899 -0.982 1.00 14.23 C ATOM 877 OH TYR A 54 28.618 -10.712 -0.292 1.00 5.52 O ATOM 0 H TYR A 54 22.371 -9.142 -3.029 1.00 45.21 H new ATOM 0 HA TYR A 54 24.427 -10.312 -4.814 1.00 42.42 H new ATOM 0 HB2 TYR A 54 22.944 -11.473 -2.431 1.00 72.52 H new ATOM 0 HB3 TYR A 54 23.788 -12.470 -3.599 1.00 72.52 H new ATOM 0 HD1 TYR A 54 24.480 -9.406 -1.527 1.00 31.22 H new ATOM 0 HD2 TYR A 54 25.962 -13.099 -3.049 1.00 64.21 H new ATOM 0 HE1 TYR A 54 26.577 -9.071 -0.294 1.00 54.43 H new ATOM 0 HE2 TYR A 54 28.059 -12.768 -1.815 1.00 13.41 H new ATOM 0 HH TYR A 54 29.218 -11.469 -0.457 1.00 5.52 H new ATOM 887 N VAL A 55 21.186 -10.401 -4.859 1.00 1.54 N ATOM 888 CA VAL A 55 20.020 -10.755 -5.659 1.00 40.51 C ATOM 889 C VAL A 55 19.593 -9.594 -6.551 1.00 61.32 C ATOM 890 O VAL A 55 19.592 -8.439 -6.126 1.00 40.12 O ATOM 891 CB VAL A 55 18.833 -11.167 -4.769 1.00 73.30 C ATOM 892 CG1 VAL A 55 17.524 -10.662 -5.357 1.00 33.14 C ATOM 893 CG2 VAL A 55 18.800 -12.678 -4.593 1.00 15.14 C ATOM 0 H VAL A 55 20.990 -9.763 -4.088 1.00 1.54 H new ATOM 0 HA VAL A 55 20.309 -11.602 -6.282 1.00 40.51 H new ATOM 0 HB VAL A 55 18.962 -10.712 -3.787 1.00 73.30 H new ATOM 0 HG11 VAL A 55 16.696 -10.963 -4.714 1.00 33.14 H new ATOM 0 HG12 VAL A 55 17.552 -9.575 -5.427 1.00 33.14 H new ATOM 0 HG13 VAL A 55 17.384 -11.086 -6.351 1.00 33.14 H new ATOM 0 HG21 VAL A 55 17.955 -12.952 -3.961 1.00 15.14 H new ATOM 0 HG22 VAL A 55 18.695 -13.156 -5.567 1.00 15.14 H new ATOM 0 HG23 VAL A 55 19.726 -13.010 -4.124 1.00 15.14 H new ATOM 903 N ARG A 56 19.230 -9.910 -7.790 1.00 63.21 N ATOM 904 CA ARG A 56 18.802 -8.894 -8.743 1.00 54.33 C ATOM 905 C ARG A 56 17.313 -9.029 -9.049 1.00 53.21 C ATOM 906 O ARG A 56 16.850 -10.088 -9.475 1.00 42.51 O ATOM 907 CB ARG A 56 19.611 -9.003 -10.037 1.00 31.42 C ATOM 908 CG ARG A 56 18.980 -8.276 -11.213 1.00 64.22 C ATOM 909 CD ARG A 56 19.882 -8.310 -12.437 1.00 61.22 C ATOM 910 NE ARG A 56 20.212 -9.676 -12.836 1.00 43.31 N ATOM 911 CZ ARG A 56 20.620 -10.007 -14.056 1.00 52.33 C ATOM 912 NH1 ARG A 56 20.747 -9.076 -14.992 1.00 1.34 N ATOM 913 NH2 ARG A 56 20.901 -11.271 -14.343 1.00 25.43 N ATOM 0 H ARG A 56 19.224 -10.862 -8.157 1.00 63.21 H new ATOM 0 HA ARG A 56 18.977 -7.916 -8.295 1.00 54.33 H new ATOM 0 HB2 ARG A 56 20.610 -8.601 -9.866 1.00 31.42 H new ATOM 0 HB3 ARG A 56 19.730 -10.056 -10.293 1.00 31.42 H new ATOM 0 HG2 ARG A 56 18.021 -8.734 -11.454 1.00 64.22 H new ATOM 0 HG3 ARG A 56 18.778 -7.241 -10.937 1.00 64.22 H new ATOM 0 HD2 ARG A 56 19.389 -7.800 -13.265 1.00 61.22 H new ATOM 0 HD3 ARG A 56 20.800 -7.762 -12.226 1.00 61.22 H new ATOM 0 HE ARG A 56 20.124 -10.416 -12.140 1.00 43.31 H new ATOM 0 HH11 ARG A 56 20.531 -8.103 -14.776 1.00 1.34 H new ATOM 0 HH12 ARG A 56 21.061 -9.333 -15.928 1.00 1.34 H new ATOM 0 HH21 ARG A 56 20.804 -11.990 -13.626 1.00 25.43 H new ATOM 0 HH22 ARG A 56 21.214 -11.524 -15.280 1.00 25.43 H new ATOM 927 N ILE A 57 16.569 -7.950 -8.828 1.00 74.45 N ATOM 928 CA ILE A 57 15.133 -7.949 -9.081 1.00 40.20 C ATOM 929 C ILE A 57 14.838 -7.983 -10.577 1.00 11.33 C ATOM 930 O ILE A 57 15.370 -7.178 -11.343 1.00 34.52 O ATOM 931 CB ILE A 57 14.454 -6.712 -8.463 1.00 61.22 C ATOM 932 CG1 ILE A 57 14.897 -6.533 -7.010 1.00 4.22 C ATOM 933 CG2 ILE A 57 12.941 -6.841 -8.549 1.00 54.40 C ATOM 934 CD1 ILE A 57 14.465 -7.663 -6.102 1.00 64.33 C ATOM 0 H ILE A 57 16.936 -7.066 -8.475 1.00 74.45 H new ATOM 0 HA ILE A 57 14.729 -8.847 -8.613 1.00 40.20 H new ATOM 0 HB ILE A 57 14.757 -5.829 -9.027 1.00 61.22 H new ATOM 0 HG12 ILE A 57 15.983 -6.447 -6.978 1.00 4.22 H new ATOM 0 HG13 ILE A 57 14.492 -5.596 -6.628 1.00 4.22 H new ATOM 0 HG21 ILE A 57 12.475 -5.960 -8.108 1.00 54.40 H new ATOM 0 HG22 ILE A 57 12.642 -6.926 -9.594 1.00 54.40 H new ATOM 0 HG23 ILE A 57 12.620 -7.730 -8.007 1.00 54.40 H new ATOM 0 HD11 ILE A 57 14.814 -7.469 -5.088 1.00 64.33 H new ATOM 0 HD12 ILE A 57 13.377 -7.736 -6.104 1.00 64.33 H new ATOM 0 HD13 ILE A 57 14.892 -8.600 -6.459 1.00 64.33 H new ATOM 946 N ILE A 58 13.986 -8.917 -10.985 1.00 61.11 N ATOM 947 CA ILE A 58 13.618 -9.054 -12.389 1.00 10.42 C ATOM 948 C ILE A 58 12.167 -9.499 -12.536 1.00 11.33 C ATOM 949 O ILE A 58 11.496 -9.801 -11.548 1.00 44.33 O ATOM 950 CB ILE A 58 14.528 -10.062 -13.114 1.00 45.11 C ATOM 951 CG1 ILE A 58 14.652 -11.350 -12.297 1.00 42.24 C ATOM 952 CG2 ILE A 58 15.900 -9.453 -13.364 1.00 0.22 C ATOM 953 CD1 ILE A 58 15.356 -12.468 -13.035 1.00 12.43 C ATOM 0 H ILE A 58 13.537 -9.590 -10.364 1.00 61.11 H new ATOM 0 HA ILE A 58 13.742 -8.072 -12.845 1.00 10.42 H new ATOM 0 HB ILE A 58 14.080 -10.306 -14.077 1.00 45.11 H new ATOM 0 HG12 ILE A 58 15.194 -11.136 -11.376 1.00 42.24 H new ATOM 0 HG13 ILE A 58 13.656 -11.686 -12.010 1.00 42.24 H new ATOM 0 HG21 ILE A 58 16.532 -10.178 -13.877 1.00 0.22 H new ATOM 0 HG22 ILE A 58 15.795 -8.561 -13.982 1.00 0.22 H new ATOM 0 HG23 ILE A 58 16.357 -9.183 -12.412 1.00 0.22 H new ATOM 0 HD11 ILE A 58 15.408 -13.350 -12.396 1.00 12.43 H new ATOM 0 HD12 ILE A 58 14.803 -12.710 -13.943 1.00 12.43 H new ATOM 0 HD13 ILE A 58 16.365 -12.151 -13.299 1.00 12.43 H new ATOM 965 N ASP A 59 11.689 -9.539 -13.774 1.00 52.35 N ATOM 966 CA ASP A 59 10.318 -9.950 -14.052 1.00 34.21 C ATOM 967 C ASP A 59 10.292 -11.208 -14.915 1.00 14.03 C ATOM 968 O ASP A 59 10.962 -11.281 -15.946 1.00 1.45 O ATOM 969 CB ASP A 59 9.555 -8.822 -14.749 1.00 63.54 C ATOM 970 CG ASP A 59 8.052 -9.002 -14.667 1.00 62.54 C ATOM 971 OD1 ASP A 59 7.599 -9.839 -13.859 1.00 74.44 O ATOM 972 OD2 ASP A 59 7.329 -8.307 -15.412 1.00 25.12 O ATOM 0 H ASP A 59 12.231 -9.292 -14.602 1.00 52.35 H new ATOM 0 HA ASP A 59 9.832 -10.173 -13.102 1.00 34.21 H new ATOM 0 HB2 ASP A 59 9.829 -7.869 -14.297 1.00 63.54 H new ATOM 0 HB3 ASP A 59 9.856 -8.777 -15.796 1.00 63.54 H new ATOM 977 N LEU A 60 9.515 -12.197 -14.487 1.00 12.24 N ATOM 978 CA LEU A 60 9.402 -13.453 -15.219 1.00 71.24 C ATOM 979 C LEU A 60 8.917 -13.210 -16.645 1.00 64.42 C ATOM 980 O LEU A 60 9.143 -14.029 -17.536 1.00 24.13 O ATOM 981 CB LEU A 60 8.444 -14.403 -14.498 1.00 1.01 C ATOM 982 CG LEU A 60 9.088 -15.595 -13.788 1.00 42.44 C ATOM 983 CD1 LEU A 60 8.026 -16.463 -13.133 1.00 21.41 C ATOM 984 CD2 LEU A 60 9.919 -16.412 -14.767 1.00 24.04 C ATOM 0 H LEU A 60 8.954 -12.153 -13.636 1.00 12.24 H new ATOM 0 HA LEU A 60 10.391 -13.909 -15.263 1.00 71.24 H new ATOM 0 HB2 LEU A 60 7.880 -13.829 -13.763 1.00 1.01 H new ATOM 0 HB3 LEU A 60 7.726 -14.783 -15.225 1.00 1.01 H new ATOM 0 HG LEU A 60 9.749 -15.216 -13.008 1.00 42.44 H new ATOM 0 HD11 LEU A 60 8.503 -17.306 -12.633 1.00 21.41 H new ATOM 0 HD12 LEU A 60 7.473 -15.873 -12.402 1.00 21.41 H new ATOM 0 HD13 LEU A 60 7.339 -16.834 -13.894 1.00 21.41 H new ATOM 0 HD21 LEU A 60 10.370 -17.256 -14.245 1.00 24.04 H new ATOM 0 HD22 LEU A 60 9.279 -16.781 -15.568 1.00 24.04 H new ATOM 0 HD23 LEU A 60 10.704 -15.785 -15.189 1.00 24.04 H new ATOM 996 N MET A 61 8.252 -12.079 -16.854 1.00 32.21 N ATOM 997 CA MET A 61 7.739 -11.727 -18.173 1.00 35.13 C ATOM 998 C MET A 61 8.776 -10.941 -18.968 1.00 22.21 C ATOM 999 O MET A 61 8.791 -10.982 -20.198 1.00 73.53 O ATOM 1000 CB MET A 61 6.453 -10.909 -18.041 1.00 54.23 C ATOM 1001 CG MET A 61 5.441 -11.516 -17.083 1.00 2.13 C ATOM 1002 SD MET A 61 4.718 -13.043 -17.712 1.00 13.02 S ATOM 1003 CE MET A 61 5.725 -14.265 -16.875 1.00 43.24 C ATOM 0 H MET A 61 8.056 -11.391 -16.127 1.00 32.21 H new ATOM 0 HA MET A 61 7.521 -12.651 -18.709 1.00 35.13 H new ATOM 0 HB2 MET A 61 6.705 -9.904 -17.702 1.00 54.23 H new ATOM 0 HB3 MET A 61 5.994 -10.808 -19.025 1.00 54.23 H new ATOM 0 HG2 MET A 61 5.925 -11.715 -16.127 1.00 2.13 H new ATOM 0 HG3 MET A 61 4.647 -10.794 -16.894 1.00 2.13 H new ATOM 0 HE1 MET A 61 5.144 -15.175 -16.725 1.00 43.24 H new ATOM 0 HE2 MET A 61 6.602 -14.491 -17.481 1.00 43.24 H new ATOM 0 HE3 MET A 61 6.043 -13.874 -15.909 1.00 43.24 H new ATOM 1013 N ASP A 62 9.642 -10.226 -18.258 1.00 32.32 N ATOM 1014 CA ASP A 62 10.684 -9.431 -18.898 1.00 34.42 C ATOM 1015 C ASP A 62 11.890 -9.275 -17.978 1.00 24.52 C ATOM 1016 O ASP A 62 12.113 -8.224 -17.378 1.00 13.42 O ATOM 1017 CB ASP A 62 10.140 -8.055 -19.284 1.00 12.00 C ATOM 1018 CG ASP A 62 10.838 -7.477 -20.499 1.00 52.13 C ATOM 1019 OD1 ASP A 62 11.993 -7.872 -20.764 1.00 51.52 O ATOM 1020 OD2 ASP A 62 10.229 -6.630 -21.186 1.00 73.50 O ATOM 0 H ASP A 62 9.643 -10.181 -17.239 1.00 32.32 H new ATOM 0 HA ASP A 62 11.003 -9.953 -19.800 1.00 34.42 H new ATOM 0 HB2 ASP A 62 9.072 -8.133 -19.485 1.00 12.00 H new ATOM 0 HB3 ASP A 62 10.257 -7.372 -18.442 1.00 12.00 H new ATOM 1025 N PRO A 63 12.689 -10.347 -17.862 1.00 11.11 N ATOM 1026 CA PRO A 63 13.886 -10.354 -17.016 1.00 63.12 C ATOM 1027 C PRO A 63 14.994 -9.466 -17.573 1.00 23.43 C ATOM 1028 O PRO A 63 16.006 -9.234 -16.912 1.00 44.45 O ATOM 1029 CB PRO A 63 14.320 -11.822 -17.028 1.00 43.12 C ATOM 1030 CG PRO A 63 13.774 -12.368 -18.302 1.00 35.22 C ATOM 1031 CD PRO A 63 12.485 -11.634 -18.548 1.00 14.22 C ATOM 0 HA PRO A 63 13.683 -9.964 -16.019 1.00 63.12 H new ATOM 0 HB2 PRO A 63 15.405 -11.914 -16.991 1.00 43.12 H new ATOM 0 HB3 PRO A 63 13.925 -12.359 -16.166 1.00 43.12 H new ATOM 0 HG2 PRO A 63 14.473 -12.215 -19.124 1.00 35.22 H new ATOM 0 HG3 PRO A 63 13.603 -13.442 -18.225 1.00 35.22 H new ATOM 0 HD2 PRO A 63 12.298 -11.496 -19.613 1.00 14.22 H new ATOM 0 HD3 PRO A 63 11.631 -12.175 -18.141 1.00 14.22 H new ATOM 1039 N ALA A 64 14.796 -8.973 -18.791 1.00 35.33 N ATOM 1040 CA ALA A 64 15.777 -8.109 -19.434 1.00 60.14 C ATOM 1041 C ALA A 64 15.451 -6.638 -19.200 1.00 20.03 C ATOM 1042 O ALA A 64 16.291 -5.763 -19.413 1.00 20.45 O ATOM 1043 CB ALA A 64 15.844 -8.405 -20.925 1.00 71.53 C ATOM 0 H ALA A 64 13.964 -9.158 -19.352 1.00 35.33 H new ATOM 0 HA ALA A 64 16.751 -8.314 -18.989 1.00 60.14 H new ATOM 0 HB1 ALA A 64 16.581 -7.752 -21.393 1.00 71.53 H new ATOM 0 HB2 ALA A 64 16.132 -9.445 -21.077 1.00 71.53 H new ATOM 0 HB3 ALA A 64 14.867 -8.230 -21.375 1.00 71.53 H new ATOM 1049 N LYS A 65 14.226 -6.371 -18.760 1.00 72.25 N ATOM 1050 CA LYS A 65 13.788 -5.006 -18.496 1.00 13.11 C ATOM 1051 C LYS A 65 14.376 -4.490 -17.186 1.00 53.14 C ATOM 1052 O LYS A 65 14.978 -3.417 -17.145 1.00 53.44 O ATOM 1053 CB LYS A 65 12.260 -4.940 -18.442 1.00 53.02 C ATOM 1054 CG LYS A 65 11.701 -3.553 -18.709 1.00 71.14 C ATOM 1055 CD LYS A 65 10.228 -3.466 -18.345 1.00 44.51 C ATOM 1056 CE LYS A 65 9.350 -4.090 -19.419 1.00 5.12 C ATOM 1057 NZ LYS A 65 8.113 -3.295 -19.655 1.00 65.23 N ATOM 0 H LYS A 65 13.518 -7.083 -18.579 1.00 72.25 H new ATOM 0 HA LYS A 65 14.144 -4.373 -19.309 1.00 13.11 H new ATOM 0 HB2 LYS A 65 11.849 -5.635 -19.174 1.00 53.02 H new ATOM 0 HB3 LYS A 65 11.925 -5.275 -17.460 1.00 53.02 H new ATOM 0 HG2 LYS A 65 12.263 -2.816 -18.135 1.00 71.14 H new ATOM 0 HG3 LYS A 65 11.832 -3.303 -19.762 1.00 71.14 H new ATOM 0 HD2 LYS A 65 10.057 -3.971 -17.395 1.00 44.51 H new ATOM 0 HD3 LYS A 65 9.948 -2.422 -18.206 1.00 44.51 H new ATOM 0 HE2 LYS A 65 9.914 -4.169 -20.348 1.00 5.12 H new ATOM 0 HE3 LYS A 65 9.079 -5.104 -19.123 1.00 5.12 H new ATOM 0 HZ1 LYS A 65 7.542 -3.753 -20.394 1.00 65.23 H new ATOM 0 HZ2 LYS A 65 7.562 -3.241 -18.775 1.00 65.23 H new ATOM 0 HZ3 LYS A 65 8.370 -2.335 -19.962 1.00 65.23 H new ATOM 1071 N TYR A 66 14.199 -5.261 -16.119 1.00 73.05 N ATOM 1072 CA TYR A 66 14.711 -4.881 -14.808 1.00 61.04 C ATOM 1073 C TYR A 66 16.062 -5.538 -14.540 1.00 51.51 C ATOM 1074 O TYR A 66 16.463 -5.710 -13.390 1.00 4.53 O ATOM 1075 CB TYR A 66 13.715 -5.272 -13.715 1.00 62.53 C ATOM 1076 CG TYR A 66 12.397 -4.537 -13.805 1.00 43.13 C ATOM 1077 CD1 TYR A 66 11.440 -4.898 -14.745 1.00 61.12 C ATOM 1078 CD2 TYR A 66 12.109 -3.481 -12.949 1.00 70.02 C ATOM 1079 CE1 TYR A 66 10.235 -4.228 -14.831 1.00 61.23 C ATOM 1080 CE2 TYR A 66 10.906 -2.806 -13.027 1.00 71.31 C ATOM 1081 CZ TYR A 66 9.973 -3.183 -13.970 1.00 75.30 C ATOM 1082 OH TYR A 66 8.773 -2.514 -14.052 1.00 32.44 O ATOM 0 H TYR A 66 13.705 -6.153 -16.136 1.00 73.05 H new ATOM 0 HA TYR A 66 14.845 -3.799 -14.798 1.00 61.04 H new ATOM 0 HB2 TYR A 66 13.528 -6.344 -13.772 1.00 62.53 H new ATOM 0 HB3 TYR A 66 14.163 -5.078 -12.741 1.00 62.53 H new ATOM 0 HD1 TYR A 66 11.642 -5.717 -15.420 1.00 61.12 H new ATOM 0 HD2 TYR A 66 12.838 -3.183 -12.210 1.00 70.02 H new ATOM 0 HE1 TYR A 66 9.502 -4.521 -15.568 1.00 61.23 H new ATOM 0 HE2 TYR A 66 10.698 -1.988 -12.353 1.00 71.31 H new ATOM 0 HH TYR A 66 8.230 -2.718 -13.262 1.00 32.44 H new ATOM 1092 N ALA A 67 16.759 -5.902 -15.612 1.00 14.43 N ATOM 1093 CA ALA A 67 18.065 -6.537 -15.494 1.00 3.42 C ATOM 1094 C ALA A 67 19.177 -5.495 -15.418 1.00 32.31 C ATOM 1095 O ALA A 67 20.293 -5.795 -14.993 1.00 52.43 O ATOM 1096 CB ALA A 67 18.302 -7.479 -16.665 1.00 34.24 C ATOM 0 H ALA A 67 16.440 -5.768 -16.572 1.00 14.43 H new ATOM 0 HA ALA A 67 18.079 -7.114 -14.569 1.00 3.42 H new ATOM 0 HB1 ALA A 67 19.282 -7.946 -16.564 1.00 34.24 H new ATOM 0 HB2 ALA A 67 17.531 -8.250 -16.674 1.00 34.24 H new ATOM 0 HB3 ALA A 67 18.263 -6.917 -17.598 1.00 34.24 H new ATOM 1102 N SER A 68 18.864 -4.272 -15.833 1.00 5.33 N ATOM 1103 CA SER A 68 19.839 -3.187 -15.816 1.00 12.13 C ATOM 1104 C SER A 68 19.796 -2.439 -14.487 1.00 13.32 C ATOM 1105 O SER A 68 20.772 -1.805 -14.086 1.00 22.44 O ATOM 1106 CB SER A 68 19.574 -2.217 -16.969 1.00 32.11 C ATOM 1107 OG SER A 68 18.215 -1.816 -16.996 1.00 71.20 O ATOM 0 H SER A 68 17.944 -4.007 -16.185 1.00 5.33 H new ATOM 0 HA SER A 68 20.831 -3.621 -15.937 1.00 12.13 H new ATOM 0 HB2 SER A 68 20.213 -1.340 -16.865 1.00 32.11 H new ATOM 0 HB3 SER A 68 19.835 -2.691 -17.915 1.00 32.11 H new ATOM 0 HG SER A 68 18.072 -1.195 -17.741 1.00 71.20 H new ATOM 1113 N VAL A 69 18.656 -2.517 -13.808 1.00 14.43 N ATOM 1114 CA VAL A 69 18.484 -1.848 -12.523 1.00 74.53 C ATOM 1115 C VAL A 69 19.596 -2.229 -11.553 1.00 11.24 C ATOM 1116 O VAL A 69 20.003 -3.389 -11.482 1.00 51.45 O ATOM 1117 CB VAL A 69 17.123 -2.194 -11.889 1.00 2.42 C ATOM 1118 CG1 VAL A 69 17.089 -3.653 -11.460 1.00 13.52 C ATOM 1119 CG2 VAL A 69 16.837 -1.276 -10.710 1.00 4.22 C ATOM 0 H VAL A 69 17.838 -3.037 -14.126 1.00 14.43 H new ATOM 0 HA VAL A 69 18.525 -0.776 -12.715 1.00 74.53 H new ATOM 0 HB VAL A 69 16.344 -2.042 -12.636 1.00 2.42 H new ATOM 0 HG11 VAL A 69 16.120 -3.879 -11.014 1.00 13.52 H new ATOM 0 HG12 VAL A 69 17.246 -4.292 -12.329 1.00 13.52 H new ATOM 0 HG13 VAL A 69 17.876 -3.836 -10.728 1.00 13.52 H new ATOM 0 HG21 VAL A 69 15.872 -1.534 -10.274 1.00 4.22 H new ATOM 0 HG22 VAL A 69 17.618 -1.394 -9.959 1.00 4.22 H new ATOM 0 HG23 VAL A 69 16.816 -0.241 -11.051 1.00 4.22 H new ATOM 1129 N ASP A 70 20.083 -1.245 -10.805 1.00 43.33 N ATOM 1130 CA ASP A 70 21.148 -1.476 -9.836 1.00 64.03 C ATOM 1131 C ASP A 70 20.573 -1.738 -8.448 1.00 74.42 C ATOM 1132 O ASP A 70 20.343 -0.809 -7.673 1.00 74.32 O ATOM 1133 CB ASP A 70 22.095 -0.276 -9.791 1.00 1.42 C ATOM 1134 CG ASP A 70 22.745 0.000 -11.132 1.00 65.12 C ATOM 1135 OD1 ASP A 70 22.469 -0.751 -12.090 1.00 63.45 O ATOM 1136 OD2 ASP A 70 23.531 0.966 -11.224 1.00 4.44 O ATOM 0 H ASP A 70 19.757 -0.280 -10.851 1.00 43.33 H new ATOM 0 HA ASP A 70 21.706 -2.358 -10.151 1.00 64.03 H new ATOM 0 HB2 ASP A 70 21.543 0.607 -9.470 1.00 1.42 H new ATOM 0 HB3 ASP A 70 22.870 -0.456 -9.045 1.00 1.42 H new ATOM 1141 N THR A 71 20.340 -3.011 -8.140 1.00 43.31 N ATOM 1142 CA THR A 71 19.789 -3.396 -6.847 1.00 3.41 C ATOM 1143 C THR A 71 20.584 -2.775 -5.704 1.00 11.52 C ATOM 1144 O THR A 71 20.038 -2.493 -4.637 1.00 23.35 O ATOM 1145 CB THR A 71 19.776 -4.926 -6.675 1.00 74.32 C ATOM 1146 OG1 THR A 71 20.619 -5.537 -7.658 1.00 24.03 O ATOM 1147 CG2 THR A 71 18.362 -5.473 -6.804 1.00 14.54 C ATOM 0 H THR A 71 20.525 -3.792 -8.769 1.00 43.31 H new ATOM 0 HA THR A 71 18.764 -3.026 -6.817 1.00 3.41 H new ATOM 0 HB THR A 71 20.151 -5.160 -5.679 1.00 74.32 H new ATOM 0 HG1 THR A 71 20.606 -6.510 -7.541 1.00 24.03 H new ATOM 0 HG21 THR A 71 18.378 -6.556 -6.679 1.00 14.54 H new ATOM 0 HG22 THR A 71 17.728 -5.028 -6.037 1.00 14.54 H new ATOM 0 HG23 THR A 71 17.965 -5.227 -7.789 1.00 14.54 H new ATOM 1155 N TYR A 72 21.875 -2.562 -5.934 1.00 32.20 N ATOM 1156 CA TYR A 72 22.745 -1.975 -4.922 1.00 62.50 C ATOM 1157 C TYR A 72 22.242 -0.597 -4.504 1.00 23.34 C ATOM 1158 O TYR A 72 22.138 -0.297 -3.314 1.00 41.22 O ATOM 1159 CB TYR A 72 24.177 -1.870 -5.450 1.00 11.51 C ATOM 1160 CG TYR A 72 25.098 -1.080 -4.548 1.00 1.32 C ATOM 1161 CD1 TYR A 72 25.106 -1.290 -3.174 1.00 40.35 C ATOM 1162 CD2 TYR A 72 25.961 -0.124 -5.069 1.00 43.13 C ATOM 1163 CE1 TYR A 72 25.945 -0.570 -2.347 1.00 4.34 C ATOM 1164 CE2 TYR A 72 26.805 0.600 -4.249 1.00 63.22 C ATOM 1165 CZ TYR A 72 26.793 0.374 -2.889 1.00 22.44 C ATOM 1166 OH TYR A 72 27.632 1.092 -2.067 1.00 71.14 O ATOM 0 H TYR A 72 22.342 -2.787 -6.812 1.00 32.20 H new ATOM 0 HA TYR A 72 22.734 -2.626 -4.048 1.00 62.50 H new ATOM 0 HB2 TYR A 72 24.582 -2.874 -5.580 1.00 11.51 H new ATOM 0 HB3 TYR A 72 24.159 -1.404 -6.435 1.00 11.51 H new ATOM 0 HD1 TYR A 72 24.445 -2.029 -2.746 1.00 40.35 H new ATOM 0 HD2 TYR A 72 25.972 0.056 -6.134 1.00 43.13 H new ATOM 0 HE1 TYR A 72 25.938 -0.745 -1.281 1.00 4.34 H new ATOM 0 HE2 TYR A 72 27.470 1.339 -4.671 1.00 63.22 H new ATOM 0 HH TYR A 72 28.164 1.714 -2.606 1.00 71.14 H new ATOM 1176 N ASP A 73 21.931 0.236 -5.490 1.00 43.21 N ATOM 1177 CA ASP A 73 21.437 1.583 -5.226 1.00 62.34 C ATOM 1178 C ASP A 73 20.092 1.537 -4.508 1.00 61.11 C ATOM 1179 O ASP A 73 19.082 1.137 -5.087 1.00 13.14 O ATOM 1180 CB ASP A 73 21.305 2.366 -6.534 1.00 31.44 C ATOM 1181 CG ASP A 73 22.604 3.030 -6.944 1.00 40.33 C ATOM 1182 OD1 ASP A 73 23.206 3.729 -6.102 1.00 14.22 O ATOM 1183 OD2 ASP A 73 23.020 2.851 -8.108 1.00 13.11 O ATOM 0 H ASP A 73 22.012 0.003 -6.480 1.00 43.21 H new ATOM 0 HA ASP A 73 22.156 2.088 -4.581 1.00 62.34 H new ATOM 0 HB2 ASP A 73 20.979 1.692 -7.326 1.00 31.44 H new ATOM 0 HB3 ASP A 73 20.531 3.126 -6.423 1.00 31.44 H new ATOM 1188 N ARG A 74 20.088 1.948 -3.244 1.00 73.12 N ATOM 1189 CA ARG A 74 18.868 1.952 -2.446 1.00 74.43 C ATOM 1190 C ARG A 74 17.771 2.759 -3.134 1.00 13.31 C ATOM 1191 O ARG A 74 16.584 2.537 -2.899 1.00 34.13 O ATOM 1192 CB ARG A 74 19.144 2.527 -1.056 1.00 32.10 C ATOM 1193 CG ARG A 74 19.272 4.041 -1.038 1.00 3.30 C ATOM 1194 CD ARG A 74 20.550 4.500 -1.723 1.00 41.10 C ATOM 1195 NE ARG A 74 21.726 3.799 -1.215 1.00 31.33 N ATOM 1196 CZ ARG A 74 22.913 3.827 -1.810 1.00 71.54 C ATOM 1197 NH1 ARG A 74 23.081 4.518 -2.929 1.00 73.33 N ATOM 1198 NH2 ARG A 74 23.935 3.162 -1.286 1.00 42.45 N ATOM 0 H ARG A 74 20.916 2.282 -2.751 1.00 73.12 H new ATOM 0 HA ARG A 74 18.527 0.922 -2.344 1.00 74.43 H new ATOM 0 HB2 ARG A 74 18.339 2.231 -0.383 1.00 32.10 H new ATOM 0 HB3 ARG A 74 20.063 2.088 -0.666 1.00 32.10 H new ATOM 0 HG2 ARG A 74 18.411 4.486 -1.536 1.00 3.30 H new ATOM 0 HG3 ARG A 74 19.263 4.396 -0.007 1.00 3.30 H new ATOM 0 HD2 ARG A 74 20.465 4.334 -2.797 1.00 41.10 H new ATOM 0 HD3 ARG A 74 20.675 5.573 -1.575 1.00 41.10 H new ATOM 0 HE ARG A 74 21.630 3.258 -0.356 1.00 31.33 H new ATOM 0 HH11 ARG A 74 22.298 5.030 -3.335 1.00 73.33 H new ATOM 0 HH12 ARG A 74 23.994 4.538 -3.384 1.00 73.33 H new ATOM 0 HH21 ARG A 74 23.809 2.629 -0.426 1.00 42.45 H new ATOM 0 HH22 ARG A 74 24.846 3.184 -1.744 1.00 42.45 H new ATOM 1212 N GLU A 75 18.178 3.697 -3.984 1.00 13.24 N ATOM 1213 CA GLU A 75 17.229 4.538 -4.704 1.00 11.32 C ATOM 1214 C GLU A 75 16.417 3.714 -5.699 1.00 65.01 C ATOM 1215 O GLU A 75 15.187 3.720 -5.667 1.00 63.41 O ATOM 1216 CB GLU A 75 17.964 5.663 -5.436 1.00 11.12 C ATOM 1217 CG GLU A 75 17.994 6.973 -4.666 1.00 34.31 C ATOM 1218 CD GLU A 75 18.491 8.133 -5.507 1.00 34.43 C ATOM 1219 OE1 GLU A 75 17.847 8.442 -6.531 1.00 65.24 O ATOM 1220 OE2 GLU A 75 19.523 8.731 -5.139 1.00 42.41 O ATOM 0 H GLU A 75 19.157 3.893 -4.191 1.00 13.24 H new ATOM 0 HA GLU A 75 16.544 4.974 -3.976 1.00 11.32 H new ATOM 0 HB2 GLU A 75 18.987 5.346 -5.637 1.00 11.12 H new ATOM 0 HB3 GLU A 75 17.486 5.830 -6.401 1.00 11.12 H new ATOM 0 HG2 GLU A 75 16.992 7.198 -4.300 1.00 34.31 H new ATOM 0 HG3 GLU A 75 18.636 6.862 -3.792 1.00 34.31 H new ATOM 1227 N GLN A 76 17.116 3.007 -6.582 1.00 2.42 N ATOM 1228 CA GLN A 76 16.461 2.179 -7.587 1.00 51.32 C ATOM 1229 C GLN A 76 15.572 1.128 -6.931 1.00 61.33 C ATOM 1230 O GLN A 76 14.368 1.074 -7.182 1.00 20.22 O ATOM 1231 CB GLN A 76 17.503 1.500 -8.477 1.00 42.13 C ATOM 1232 CG GLN A 76 18.505 2.467 -9.088 1.00 13.01 C ATOM 1233 CD GLN A 76 18.493 2.439 -10.604 1.00 2.35 C ATOM 1234 OE1 GLN A 76 19.615 2.050 -11.197 1.00 70.43 O flip ATOM 1235 NE2 GLN A 76 17.487 2.765 -11.234 1.00 63.23 N flip ATOM 0 H GLN A 76 18.135 2.991 -6.621 1.00 2.42 H new ATOM 0 HA GLN A 76 15.835 2.825 -8.202 1.00 51.32 H new ATOM 0 HB2 GLN A 76 18.041 0.756 -7.890 1.00 42.13 H new ATOM 0 HB3 GLN A 76 16.992 0.966 -9.278 1.00 42.13 H new ATOM 0 HG2 GLN A 76 18.284 3.478 -8.745 1.00 13.01 H new ATOM 0 HG3 GLN A 76 19.505 2.221 -8.732 1.00 13.01 H new ATOM 0 HE21 GLN A 76 16.646 3.058 -10.736 1.00 63.23 H new ATOM 0 HE22 GLN A 76 17.494 2.743 -12.254 1.00 63.23 H new ATOM 1244 N VAL A 77 16.174 0.293 -6.090 1.00 71.52 N ATOM 1245 CA VAL A 77 15.437 -0.758 -5.397 1.00 50.44 C ATOM 1246 C VAL A 77 14.207 -0.194 -4.695 1.00 11.11 C ATOM 1247 O VAL A 77 13.191 -0.874 -4.560 1.00 75.40 O ATOM 1248 CB VAL A 77 16.323 -1.475 -4.361 1.00 53.14 C ATOM 1249 CG1 VAL A 77 16.352 -0.698 -3.054 1.00 53.21 C ATOM 1250 CG2 VAL A 77 15.832 -2.897 -4.135 1.00 41.11 C ATOM 0 H VAL A 77 17.170 0.324 -5.872 1.00 71.52 H new ATOM 0 HA VAL A 77 15.122 -1.477 -6.154 1.00 50.44 H new ATOM 0 HB VAL A 77 17.340 -1.523 -4.749 1.00 53.14 H new ATOM 0 HG11 VAL A 77 16.983 -1.220 -2.334 1.00 53.21 H new ATOM 0 HG12 VAL A 77 16.754 0.299 -3.233 1.00 53.21 H new ATOM 0 HG13 VAL A 77 15.340 -0.616 -2.657 1.00 53.21 H new ATOM 0 HG21 VAL A 77 16.469 -3.389 -3.400 1.00 41.11 H new ATOM 0 HG22 VAL A 77 14.806 -2.874 -3.768 1.00 41.11 H new ATOM 0 HG23 VAL A 77 15.869 -3.448 -5.075 1.00 41.11 H new ATOM 1260 N MET A 78 14.307 1.054 -4.250 1.00 13.35 N ATOM 1261 CA MET A 78 13.201 1.711 -3.562 1.00 33.51 C ATOM 1262 C MET A 78 12.044 1.975 -4.521 1.00 64.20 C ATOM 1263 O MET A 78 10.899 1.618 -4.243 1.00 23.12 O ATOM 1264 CB MET A 78 13.670 3.025 -2.936 1.00 13.24 C ATOM 1265 CG MET A 78 13.996 2.911 -1.455 1.00 73.23 C ATOM 1266 SD MET A 78 14.192 4.518 -0.661 1.00 63.32 S ATOM 1267 CE MET A 78 15.966 4.736 -0.774 1.00 45.22 C ATOM 0 H MET A 78 15.142 1.631 -4.353 1.00 13.35 H new ATOM 0 HA MET A 78 12.851 1.046 -2.773 1.00 33.51 H new ATOM 0 HB2 MET A 78 14.554 3.376 -3.468 1.00 13.24 H new ATOM 0 HB3 MET A 78 12.895 3.780 -3.072 1.00 13.24 H new ATOM 0 HG2 MET A 78 13.202 2.357 -0.954 1.00 73.23 H new ATOM 0 HG3 MET A 78 14.913 2.335 -1.332 1.00 73.23 H new ATOM 0 HE1 MET A 78 16.292 5.462 -0.029 1.00 45.22 H new ATOM 0 HE2 MET A 78 16.462 3.783 -0.592 1.00 45.22 H new ATOM 0 HE3 MET A 78 16.226 5.096 -1.769 1.00 45.22 H new ATOM 1277 N LYS A 79 12.351 2.602 -5.651 1.00 53.53 N ATOM 1278 CA LYS A 79 11.338 2.914 -6.653 1.00 12.12 C ATOM 1279 C LYS A 79 10.606 1.652 -7.098 1.00 21.23 C ATOM 1280 O LYS A 79 9.382 1.646 -7.226 1.00 75.12 O ATOM 1281 CB LYS A 79 11.980 3.597 -7.862 1.00 41.22 C ATOM 1282 CG LYS A 79 12.561 4.966 -7.551 1.00 34.34 C ATOM 1283 CD LYS A 79 13.747 5.285 -8.445 1.00 12.10 C ATOM 1284 CE LYS A 79 14.275 6.688 -8.190 1.00 4.32 C ATOM 1285 NZ LYS A 79 14.942 7.257 -9.394 1.00 2.24 N ATOM 0 H LYS A 79 13.294 2.904 -5.896 1.00 53.53 H new ATOM 0 HA LYS A 79 10.614 3.593 -6.202 1.00 12.12 H new ATOM 0 HB2 LYS A 79 12.771 2.957 -8.253 1.00 41.22 H new ATOM 0 HB3 LYS A 79 11.234 3.699 -8.650 1.00 41.22 H new ATOM 0 HG2 LYS A 79 11.791 5.727 -7.681 1.00 34.34 H new ATOM 0 HG3 LYS A 79 12.871 5.002 -6.507 1.00 34.34 H new ATOM 0 HD2 LYS A 79 14.541 4.559 -8.271 1.00 12.10 H new ATOM 0 HD3 LYS A 79 13.452 5.190 -9.490 1.00 12.10 H new ATOM 0 HE2 LYS A 79 13.452 7.337 -7.890 1.00 4.32 H new ATOM 0 HE3 LYS A 79 14.981 6.665 -7.360 1.00 4.32 H new ATOM 0 HZ1 LYS A 79 15.288 8.214 -9.179 1.00 2.24 H new ATOM 0 HZ2 LYS A 79 15.743 6.652 -9.666 1.00 2.24 H new ATOM 0 HZ3 LYS A 79 14.261 7.303 -10.179 1.00 2.24 H new ATOM 1299 N ILE A 80 11.364 0.585 -7.330 1.00 14.12 N ATOM 1300 CA ILE A 80 10.786 -0.683 -7.758 1.00 0.15 C ATOM 1301 C ILE A 80 9.866 -1.257 -6.686 1.00 31.24 C ATOM 1302 O ILE A 80 8.692 -1.529 -6.941 1.00 65.35 O ATOM 1303 CB ILE A 80 11.879 -1.717 -8.088 1.00 10.45 C ATOM 1304 CG1 ILE A 80 12.486 -1.429 -9.462 1.00 54.53 C ATOM 1305 CG2 ILE A 80 11.307 -3.126 -8.040 1.00 2.45 C ATOM 1306 CD1 ILE A 80 13.795 -0.673 -9.399 1.00 33.31 C ATOM 0 H ILE A 80 12.379 0.574 -7.229 1.00 14.12 H new ATOM 0 HA ILE A 80 10.207 -0.478 -8.659 1.00 0.15 H new ATOM 0 HB ILE A 80 12.668 -1.641 -7.340 1.00 10.45 H new ATOM 0 HG12 ILE A 80 12.646 -2.372 -9.984 1.00 54.53 H new ATOM 0 HG13 ILE A 80 11.772 -0.854 -10.052 1.00 54.53 H new ATOM 0 HG21 ILE A 80 12.091 -3.845 -8.275 1.00 2.45 H new ATOM 0 HG22 ILE A 80 10.918 -3.327 -7.042 1.00 2.45 H new ATOM 0 HG23 ILE A 80 10.501 -3.217 -8.768 1.00 2.45 H new ATOM 0 HD11 ILE A 80 14.167 -0.504 -10.410 1.00 33.31 H new ATOM 0 HD12 ILE A 80 13.638 0.286 -8.905 1.00 33.31 H new ATOM 0 HD13 ILE A 80 14.525 -1.255 -8.837 1.00 33.31 H new ATOM 1318 N ILE A 81 10.406 -1.437 -5.485 1.00 33.40 N ATOM 1319 CA ILE A 81 9.632 -1.976 -4.373 1.00 62.53 C ATOM 1320 C ILE A 81 8.381 -1.143 -4.119 1.00 1.32 C ATOM 1321 O ILE A 81 7.323 -1.678 -3.786 1.00 42.52 O ATOM 1322 CB ILE A 81 10.469 -2.034 -3.081 1.00 75.44 C ATOM 1323 CG1 ILE A 81 11.583 -3.074 -3.216 1.00 20.15 C ATOM 1324 CG2 ILE A 81 9.579 -2.354 -1.889 1.00 5.22 C ATOM 1325 CD1 ILE A 81 12.536 -3.093 -2.041 1.00 60.30 C ATOM 0 H ILE A 81 11.376 -1.218 -5.257 1.00 33.40 H new ATOM 0 HA ILE A 81 9.340 -2.988 -4.653 1.00 62.53 H new ATOM 0 HB ILE A 81 10.927 -1.059 -2.917 1.00 75.44 H new ATOM 0 HG12 ILE A 81 11.136 -4.062 -3.327 1.00 20.15 H new ATOM 0 HG13 ILE A 81 12.146 -2.875 -4.128 1.00 20.15 H new ATOM 0 HG21 ILE A 81 10.184 -2.392 -0.983 1.00 5.22 H new ATOM 0 HG22 ILE A 81 8.818 -1.581 -1.785 1.00 5.22 H new ATOM 0 HG23 ILE A 81 9.097 -3.319 -2.044 1.00 5.22 H new ATOM 0 HD11 ILE A 81 13.300 -3.854 -2.204 1.00 60.30 H new ATOM 0 HD12 ILE A 81 13.011 -2.117 -1.942 1.00 60.30 H new ATOM 0 HD13 ILE A 81 11.985 -3.322 -1.129 1.00 60.30 H new ATOM 1337 N ASP A 82 8.509 0.170 -4.279 1.00 20.21 N ATOM 1338 CA ASP A 82 7.388 1.079 -4.069 1.00 72.54 C ATOM 1339 C ASP A 82 6.357 0.936 -5.185 1.00 32.44 C ATOM 1340 O ASP A 82 5.169 0.747 -4.924 1.00 2.33 O ATOM 1341 CB ASP A 82 7.882 2.524 -3.997 1.00 10.11 C ATOM 1342 CG ASP A 82 6.765 3.503 -3.692 1.00 42.24 C ATOM 1343 OD1 ASP A 82 6.233 3.464 -2.563 1.00 51.11 O ATOM 1344 OD2 ASP A 82 6.424 4.309 -4.583 1.00 41.00 O ATOM 0 H ASP A 82 9.378 0.628 -4.553 1.00 20.21 H new ATOM 0 HA ASP A 82 6.913 0.818 -3.123 1.00 72.54 H new ATOM 0 HB2 ASP A 82 8.651 2.604 -3.229 1.00 10.11 H new ATOM 0 HB3 ASP A 82 8.348 2.793 -4.945 1.00 10.11 H new ATOM 1349 N GLU A 83 6.820 1.028 -6.427 1.00 60.33 N ATOM 1350 CA GLU A 83 5.937 0.910 -7.582 1.00 12.54 C ATOM 1351 C GLU A 83 5.212 -0.432 -7.578 1.00 61.41 C ATOM 1352 O GLU A 83 3.989 -0.491 -7.703 1.00 54.42 O ATOM 1353 CB GLU A 83 6.733 1.070 -8.879 1.00 34.52 C ATOM 1354 CG GLU A 83 7.062 2.514 -9.218 1.00 31.43 C ATOM 1355 CD GLU A 83 6.948 2.805 -10.701 1.00 51.33 C ATOM 1356 OE1 GLU A 83 6.033 2.251 -11.346 1.00 30.23 O ATOM 1357 OE2 GLU A 83 7.773 3.587 -11.218 1.00 0.30 O ATOM 0 H GLU A 83 7.801 1.184 -6.660 1.00 60.33 H new ATOM 0 HA GLU A 83 5.193 1.704 -7.521 1.00 12.54 H new ATOM 0 HB2 GLU A 83 7.661 0.504 -8.798 1.00 34.52 H new ATOM 0 HB3 GLU A 83 6.165 0.633 -9.700 1.00 34.52 H new ATOM 0 HG2 GLU A 83 6.390 3.174 -8.669 1.00 31.43 H new ATOM 0 HG3 GLU A 83 8.075 2.740 -8.884 1.00 31.43 H new ATOM 1364 N PHE A 84 5.976 -1.510 -7.434 1.00 63.14 N ATOM 1365 CA PHE A 84 5.408 -2.853 -7.416 1.00 64.10 C ATOM 1366 C PHE A 84 4.564 -3.070 -6.163 1.00 45.33 C ATOM 1367 O PHE A 84 3.787 -4.021 -6.081 1.00 1.22 O ATOM 1368 CB PHE A 84 6.521 -3.901 -7.482 1.00 61.25 C ATOM 1369 CG PHE A 84 7.066 -4.110 -8.866 1.00 44.34 C ATOM 1370 CD1 PHE A 84 7.623 -3.055 -9.572 1.00 25.41 C ATOM 1371 CD2 PHE A 84 7.021 -5.360 -9.462 1.00 3.10 C ATOM 1372 CE1 PHE A 84 8.127 -3.244 -10.846 1.00 15.25 C ATOM 1373 CE2 PHE A 84 7.523 -5.554 -10.735 1.00 21.50 C ATOM 1374 CZ PHE A 84 8.075 -4.495 -11.428 1.00 42.11 C ATOM 0 H PHE A 84 6.990 -1.480 -7.328 1.00 63.14 H new ATOM 0 HA PHE A 84 4.765 -2.960 -8.289 1.00 64.10 H new ATOM 0 HB2 PHE A 84 7.334 -3.598 -6.822 1.00 61.25 H new ATOM 0 HB3 PHE A 84 6.139 -4.849 -7.103 1.00 61.25 H new ATOM 0 HD1 PHE A 84 7.664 -2.074 -9.122 1.00 25.41 H new ATOM 0 HD2 PHE A 84 6.589 -6.192 -8.926 1.00 3.10 H new ATOM 0 HE1 PHE A 84 8.561 -2.414 -11.385 1.00 15.25 H new ATOM 0 HE2 PHE A 84 7.484 -6.534 -11.188 1.00 21.50 H new ATOM 0 HZ PHE A 84 8.465 -4.645 -12.424 1.00 42.11 H new ATOM 1384 N LYS A 85 4.724 -2.180 -5.189 1.00 32.50 N ATOM 1385 CA LYS A 85 3.977 -2.272 -3.940 1.00 5.43 C ATOM 1386 C LYS A 85 4.291 -3.575 -3.212 1.00 63.23 C ATOM 1387 O LYS A 85 3.386 -4.327 -2.849 1.00 24.02 O ATOM 1388 CB LYS A 85 2.474 -2.176 -4.211 1.00 45.14 C ATOM 1389 CG LYS A 85 2.075 -0.932 -4.986 1.00 75.22 C ATOM 1390 CD LYS A 85 1.919 0.270 -4.070 1.00 24.11 C ATOM 1391 CE LYS A 85 0.964 1.298 -4.656 1.00 42.12 C ATOM 1392 NZ LYS A 85 0.222 2.034 -3.595 1.00 40.04 N ATOM 0 H LYS A 85 5.364 -1.387 -5.241 1.00 32.50 H new ATOM 0 HA LYS A 85 4.279 -1.440 -3.304 1.00 5.43 H new ATOM 0 HB2 LYS A 85 2.156 -3.058 -4.767 1.00 45.14 H new ATOM 0 HB3 LYS A 85 1.940 -2.189 -3.261 1.00 45.14 H new ATOM 0 HG2 LYS A 85 2.828 -0.717 -5.744 1.00 75.22 H new ATOM 0 HG3 LYS A 85 1.137 -1.115 -5.511 1.00 75.22 H new ATOM 0 HD2 LYS A 85 1.551 -0.058 -3.098 1.00 24.11 H new ATOM 0 HD3 LYS A 85 2.893 0.730 -3.903 1.00 24.11 H new ATOM 0 HE2 LYS A 85 1.523 2.007 -5.266 1.00 42.12 H new ATOM 0 HE3 LYS A 85 0.254 0.800 -5.316 1.00 42.12 H new ATOM 0 HZ1 LYS A 85 -0.418 2.725 -4.035 1.00 40.04 H new ATOM 0 HZ2 LYS A 85 -0.332 1.361 -3.028 1.00 40.04 H new ATOM 0 HZ3 LYS A 85 0.898 2.531 -2.980 1.00 40.04 H new ATOM 1406 N ILE A 86 5.577 -3.836 -3.002 1.00 42.55 N ATOM 1407 CA ILE A 86 6.009 -5.047 -2.316 1.00 53.11 C ATOM 1408 C ILE A 86 5.907 -4.887 -0.803 1.00 74.40 C ATOM 1409 O ILE A 86 6.355 -3.896 -0.227 1.00 24.34 O ATOM 1410 CB ILE A 86 7.457 -5.417 -2.685 1.00 62.54 C ATOM 1411 CG1 ILE A 86 7.634 -5.423 -4.205 1.00 74.43 C ATOM 1412 CG2 ILE A 86 7.823 -6.773 -2.099 1.00 1.20 C ATOM 1413 CD1 ILE A 86 9.046 -5.736 -4.649 1.00 34.35 C ATOM 0 H ILE A 86 6.338 -3.224 -3.297 1.00 42.55 H new ATOM 0 HA ILE A 86 5.344 -5.848 -2.640 1.00 53.11 H new ATOM 0 HB ILE A 86 8.126 -4.667 -2.263 1.00 62.54 H new ATOM 0 HG12 ILE A 86 6.955 -6.157 -4.639 1.00 74.43 H new ATOM 0 HG13 ILE A 86 7.345 -4.449 -4.600 1.00 74.43 H new ATOM 0 HG21 ILE A 86 8.850 -7.021 -2.369 1.00 1.20 H new ATOM 0 HG22 ILE A 86 7.731 -6.737 -1.013 1.00 1.20 H new ATOM 0 HG23 ILE A 86 7.150 -7.534 -2.495 1.00 1.20 H new ATOM 0 HD11 ILE A 86 9.096 -5.723 -5.738 1.00 34.35 H new ATOM 0 HD12 ILE A 86 9.729 -4.988 -4.245 1.00 34.35 H new ATOM 0 HD13 ILE A 86 9.332 -6.723 -4.284 1.00 34.35 H new ATOM 1425 N PRO A 87 5.304 -5.887 -0.142 1.00 52.21 N ATOM 1426 CA PRO A 87 5.131 -5.882 1.314 1.00 73.14 C ATOM 1427 C PRO A 87 6.452 -6.058 2.055 1.00 55.40 C ATOM 1428 O PRO A 87 7.397 -6.648 1.531 1.00 52.45 O ATOM 1429 CB PRO A 87 4.213 -7.081 1.565 1.00 13.25 C ATOM 1430 CG PRO A 87 4.451 -7.990 0.410 1.00 64.22 C ATOM 1431 CD PRO A 87 4.745 -7.099 -0.765 1.00 1.41 C ATOM 0 HA PRO A 87 4.727 -4.936 1.674 1.00 73.14 H new ATOM 0 HB2 PRO A 87 4.451 -7.571 2.509 1.00 13.25 H new ATOM 0 HB3 PRO A 87 3.168 -6.775 1.619 1.00 13.25 H new ATOM 0 HG2 PRO A 87 5.286 -8.662 0.608 1.00 64.22 H new ATOM 0 HG3 PRO A 87 3.578 -8.614 0.218 1.00 64.22 H new ATOM 0 HD2 PRO A 87 5.454 -7.561 -1.452 1.00 1.41 H new ATOM 0 HD3 PRO A 87 3.844 -6.878 -1.337 1.00 1.41 H new ATOM 1439 N THR A 88 6.511 -5.542 3.279 1.00 41.00 N ATOM 1440 CA THR A 88 7.716 -5.641 4.092 1.00 23.13 C ATOM 1441 C THR A 88 7.709 -6.913 4.933 1.00 44.13 C ATOM 1442 O THR A 88 6.678 -7.569 5.076 1.00 55.20 O ATOM 1443 CB THR A 88 7.867 -4.424 5.025 1.00 73.24 C ATOM 1444 OG1 THR A 88 7.134 -3.312 4.500 1.00 52.52 O ATOM 1445 CG2 THR A 88 9.331 -4.043 5.185 1.00 34.34 C ATOM 0 H THR A 88 5.738 -5.051 3.729 1.00 41.00 H new ATOM 0 HA THR A 88 8.560 -5.668 3.403 1.00 23.13 H new ATOM 0 HB THR A 88 7.469 -4.692 6.004 1.00 73.24 H new ATOM 0 HG1 THR A 88 7.233 -2.543 5.099 1.00 52.52 H new ATOM 0 HG21 THR A 88 9.412 -3.182 5.848 1.00 34.34 H new ATOM 0 HG22 THR A 88 9.881 -4.882 5.611 1.00 34.34 H new ATOM 0 HG23 THR A 88 9.750 -3.792 4.211 1.00 34.34 H new ATOM 1453 N VAL A 89 8.867 -7.256 5.488 1.00 65.44 N ATOM 1454 CA VAL A 89 8.994 -8.449 6.316 1.00 22.50 C ATOM 1455 C VAL A 89 7.925 -8.481 7.402 1.00 53.30 C ATOM 1456 O VAL A 89 7.136 -9.422 7.482 1.00 11.45 O ATOM 1457 CB VAL A 89 10.383 -8.529 6.977 1.00 64.25 C ATOM 1458 CG1 VAL A 89 10.473 -9.745 7.887 1.00 41.52 C ATOM 1459 CG2 VAL A 89 11.475 -8.564 5.918 1.00 61.13 C ATOM 0 H VAL A 89 9.731 -6.724 5.379 1.00 65.44 H new ATOM 0 HA VAL A 89 8.864 -9.307 5.656 1.00 22.50 H new ATOM 0 HB VAL A 89 10.528 -7.637 7.587 1.00 64.25 H new ATOM 0 HG11 VAL A 89 11.461 -9.784 8.345 1.00 41.52 H new ATOM 0 HG12 VAL A 89 9.715 -9.673 8.667 1.00 41.52 H new ATOM 0 HG13 VAL A 89 10.308 -10.650 7.302 1.00 41.52 H new ATOM 0 HG21 VAL A 89 12.450 -8.620 6.402 1.00 61.13 H new ATOM 0 HG22 VAL A 89 11.336 -9.437 5.280 1.00 61.13 H new ATOM 0 HG23 VAL A 89 11.423 -7.660 5.312 1.00 61.13 H new ATOM 1469 N GLU A 90 7.904 -7.445 8.235 1.00 5.11 N ATOM 1470 CA GLU A 90 6.931 -7.355 9.317 1.00 1.50 C ATOM 1471 C GLU A 90 5.515 -7.584 8.796 1.00 64.02 C ATOM 1472 O GLU A 90 4.772 -8.405 9.332 1.00 13.21 O ATOM 1473 CB GLU A 90 7.020 -5.988 10.000 1.00 73.02 C ATOM 1474 CG GLU A 90 8.358 -5.729 10.671 1.00 11.40 C ATOM 1475 CD GLU A 90 9.192 -4.701 9.931 1.00 64.41 C ATOM 1476 OE1 GLU A 90 8.886 -3.496 10.044 1.00 73.00 O ATOM 1477 OE2 GLU A 90 10.151 -5.102 9.239 1.00 63.41 O ATOM 0 H GLU A 90 8.549 -6.657 8.181 1.00 5.11 H new ATOM 0 HA GLU A 90 7.162 -8.133 10.045 1.00 1.50 H new ATOM 0 HB2 GLU A 90 6.837 -5.209 9.260 1.00 73.02 H new ATOM 0 HB3 GLU A 90 6.228 -5.911 10.745 1.00 73.02 H new ATOM 0 HG2 GLU A 90 8.188 -5.387 11.692 1.00 11.40 H new ATOM 0 HG3 GLU A 90 8.914 -6.664 10.737 1.00 11.40 H new ATOM 1484 N GLN A 91 5.151 -6.852 7.748 1.00 61.33 N ATOM 1485 CA GLN A 91 3.825 -6.975 7.155 1.00 74.11 C ATOM 1486 C GLN A 91 3.554 -8.412 6.720 1.00 54.51 C ATOM 1487 O GLN A 91 2.455 -8.932 6.914 1.00 22.24 O ATOM 1488 CB GLN A 91 3.689 -6.033 5.957 1.00 11.15 C ATOM 1489 CG GLN A 91 4.153 -4.614 6.244 1.00 21.01 C ATOM 1490 CD GLN A 91 3.691 -4.111 7.598 1.00 62.04 C ATOM 1491 OE1 GLN A 91 2.502 -4.147 7.913 1.00 35.22 O ATOM 1492 NE2 GLN A 91 4.632 -3.638 8.406 1.00 22.13 N ATOM 0 H GLN A 91 5.755 -6.168 7.293 1.00 61.33 H new ATOM 0 HA GLN A 91 3.090 -6.699 7.911 1.00 74.11 H new ATOM 0 HB2 GLN A 91 4.266 -6.433 5.123 1.00 11.15 H new ATOM 0 HB3 GLN A 91 2.646 -6.009 5.641 1.00 11.15 H new ATOM 0 HG2 GLN A 91 5.241 -4.576 6.198 1.00 21.01 H new ATOM 0 HG3 GLN A 91 3.778 -3.949 5.466 1.00 21.01 H new ATOM 0 HE21 GLN A 91 5.606 -3.627 8.103 1.00 22.13 H new ATOM 0 HE22 GLN A 91 4.381 -3.285 9.330 1.00 22.13 H new ATOM 1501 N TRP A 92 4.561 -9.046 6.131 1.00 53.32 N ATOM 1502 CA TRP A 92 4.430 -10.423 5.668 1.00 43.32 C ATOM 1503 C TRP A 92 4.226 -11.375 6.841 1.00 3.42 C ATOM 1504 O TRP A 92 3.475 -12.345 6.744 1.00 54.35 O ATOM 1505 CB TRP A 92 5.669 -10.834 4.871 1.00 44.01 C ATOM 1506 CG TRP A 92 5.566 -12.207 4.279 1.00 41.01 C ATOM 1507 CD1 TRP A 92 4.662 -12.632 3.348 1.00 33.32 C ATOM 1508 CD2 TRP A 92 6.396 -13.334 4.579 1.00 21.31 C ATOM 1509 NE1 TRP A 92 4.879 -13.956 3.052 1.00 64.23 N ATOM 1510 CE2 TRP A 92 5.938 -14.410 3.793 1.00 44.22 C ATOM 1511 CE3 TRP A 92 7.483 -13.539 5.434 1.00 74.44 C ATOM 1512 CZ2 TRP A 92 6.530 -15.669 3.839 1.00 74.53 C ATOM 1513 CZ3 TRP A 92 8.068 -14.790 5.478 1.00 21.32 C ATOM 1514 CH2 TRP A 92 7.591 -15.842 4.684 1.00 25.14 C ATOM 0 H TRP A 92 5.477 -8.629 5.963 1.00 53.32 H new ATOM 0 HA TRP A 92 3.554 -10.481 5.021 1.00 43.32 H new ATOM 0 HB2 TRP A 92 5.833 -10.112 4.071 1.00 44.01 H new ATOM 0 HB3 TRP A 92 6.542 -10.792 5.522 1.00 44.01 H new ATOM 0 HD1 TRP A 92 3.890 -12.018 2.909 1.00 33.32 H new ATOM 0 HE1 TRP A 92 4.339 -14.511 2.388 1.00 64.23 H new ATOM 0 HE3 TRP A 92 7.859 -12.734 6.049 1.00 74.44 H new ATOM 0 HZ2 TRP A 92 6.164 -16.481 3.228 1.00 74.53 H new ATOM 0 HZ3 TRP A 92 8.908 -14.960 6.136 1.00 21.32 H new ATOM 0 HH2 TRP A 92 8.071 -16.808 4.741 1.00 25.14 H new ATOM 1525 N LYS A 93 4.900 -11.092 7.951 1.00 12.41 N ATOM 1526 CA LYS A 93 4.792 -11.922 9.145 1.00 54.40 C ATOM 1527 C LYS A 93 3.384 -11.855 9.728 1.00 74.31 C ATOM 1528 O LYS A 93 2.767 -12.884 10.004 1.00 32.31 O ATOM 1529 CB LYS A 93 5.811 -11.476 10.195 1.00 4.33 C ATOM 1530 CG LYS A 93 7.251 -11.555 9.717 1.00 10.23 C ATOM 1531 CD LYS A 93 7.858 -12.919 9.999 1.00 0.14 C ATOM 1532 CE LYS A 93 8.147 -13.677 8.713 1.00 34.30 C ATOM 1533 NZ LYS A 93 9.413 -13.224 8.074 1.00 52.32 N ATOM 0 H LYS A 93 5.527 -10.294 8.048 1.00 12.41 H new ATOM 0 HA LYS A 93 5.000 -12.953 8.860 1.00 54.40 H new ATOM 0 HB2 LYS A 93 5.591 -10.450 10.490 1.00 4.33 H new ATOM 0 HB3 LYS A 93 5.698 -12.095 11.085 1.00 4.33 H new ATOM 0 HG2 LYS A 93 7.292 -11.352 8.647 1.00 10.23 H new ATOM 0 HG3 LYS A 93 7.842 -10.784 10.211 1.00 10.23 H new ATOM 0 HD2 LYS A 93 8.781 -12.797 10.566 1.00 0.14 H new ATOM 0 HD3 LYS A 93 7.176 -13.500 10.620 1.00 0.14 H new ATOM 0 HE2 LYS A 93 8.210 -14.744 8.927 1.00 34.30 H new ATOM 0 HE3 LYS A 93 7.320 -13.540 8.017 1.00 34.30 H new ATOM 0 HZ1 LYS A 93 9.230 -12.969 7.082 1.00 52.32 H new ATOM 0 HZ2 LYS A 93 9.781 -12.395 8.582 1.00 52.32 H new ATOM 0 HZ3 LYS A 93 10.114 -13.991 8.110 1.00 52.32 H new ATOM 1547 N ASP A 94 2.881 -10.639 9.911 1.00 32.41 N ATOM 1548 CA ASP A 94 1.544 -10.439 10.459 1.00 62.32 C ATOM 1549 C ASP A 94 0.487 -11.059 9.551 1.00 75.11 C ATOM 1550 O ASP A 94 -0.431 -11.731 10.021 1.00 70.21 O ATOM 1551 CB ASP A 94 1.264 -8.947 10.644 1.00 31.12 C ATOM 1552 CG ASP A 94 1.733 -8.433 11.991 1.00 0.00 C ATOM 1553 OD1 ASP A 94 2.790 -8.896 12.468 1.00 64.31 O ATOM 1554 OD2 ASP A 94 1.043 -7.567 12.568 1.00 43.32 O ATOM 0 H ASP A 94 3.379 -9.777 9.688 1.00 32.41 H new ATOM 0 HA ASP A 94 1.498 -10.932 11.430 1.00 62.32 H new ATOM 0 HB2 ASP A 94 1.760 -8.386 9.852 1.00 31.12 H new ATOM 0 HB3 ASP A 94 0.194 -8.766 10.542 1.00 31.12 H new ATOM 1559 N GLN A 95 0.622 -10.827 8.249 1.00 33.22 N ATOM 1560 CA GLN A 95 -0.324 -11.362 7.276 1.00 3.42 C ATOM 1561 C GLN A 95 -0.353 -12.886 7.326 1.00 43.32 C ATOM 1562 O GLN A 95 -1.421 -13.497 7.363 1.00 54.42 O ATOM 1563 CB GLN A 95 0.042 -10.892 5.867 1.00 21.21 C ATOM 1564 CG GLN A 95 -0.340 -9.447 5.589 1.00 61.42 C ATOM 1565 CD GLN A 95 -1.814 -9.283 5.277 1.00 73.32 C ATOM 1566 OE1 GLN A 95 -2.520 -10.261 5.026 1.00 52.40 O ATOM 1567 NE2 GLN A 95 -2.288 -8.043 5.291 1.00 52.12 N ATOM 0 H GLN A 95 1.376 -10.273 7.844 1.00 33.22 H new ATOM 0 HA GLN A 95 -1.317 -10.990 7.529 1.00 3.42 H new ATOM 0 HB2 GLN A 95 1.116 -11.010 5.721 1.00 21.21 H new ATOM 0 HB3 GLN A 95 -0.451 -11.536 5.139 1.00 21.21 H new ATOM 0 HG2 GLN A 95 -0.085 -8.835 6.454 1.00 61.42 H new ATOM 0 HG3 GLN A 95 0.249 -9.074 4.751 1.00 61.42 H new ATOM 0 HE21 GLN A 95 -1.667 -7.262 5.504 1.00 52.12 H new ATOM 0 HE22 GLN A 95 -3.273 -7.871 5.089 1.00 52.12 H new ATOM 1576 N THR A 96 0.829 -13.496 7.326 1.00 54.40 N ATOM 1577 CA THR A 96 0.939 -14.948 7.369 1.00 32.23 C ATOM 1578 C THR A 96 0.424 -15.499 8.694 1.00 74.31 C ATOM 1579 O THR A 96 -0.353 -16.454 8.720 1.00 62.43 O ATOM 1580 CB THR A 96 2.395 -15.407 7.167 1.00 61.41 C ATOM 1581 OG1 THR A 96 3.261 -14.697 8.059 1.00 43.24 O ATOM 1582 CG2 THR A 96 2.840 -15.179 5.730 1.00 12.32 C ATOM 0 H THR A 96 1.723 -13.006 7.297 1.00 54.40 H new ATOM 0 HA THR A 96 0.327 -15.336 6.555 1.00 32.23 H new ATOM 0 HB THR A 96 2.449 -16.474 7.382 1.00 61.41 H new ATOM 0 HG1 THR A 96 3.460 -13.812 7.687 1.00 43.24 H new ATOM 0 HG21 THR A 96 3.872 -15.511 5.612 1.00 12.32 H new ATOM 0 HG22 THR A 96 2.197 -15.745 5.056 1.00 12.32 H new ATOM 0 HG23 THR A 96 2.771 -14.118 5.492 1.00 12.32 H new ATOM 1941 N PHE B -7 12.014 -13.512 11.429 1.00 2.05 N ATOM 1942 CA PHE B -7 13.348 -13.353 10.862 1.00 71.25 C ATOM 1943 C PHE B -7 14.064 -12.156 11.480 1.00 34.14 C ATOM 1944 O PHE B -7 15.005 -12.316 12.258 1.00 70.42 O ATOM 1945 CB PHE B -7 13.262 -13.181 9.344 1.00 72.45 C ATOM 1946 CG PHE B -7 13.064 -14.474 8.604 1.00 3.22 C ATOM 1947 CD1 PHE B -7 11.850 -15.139 8.657 1.00 21.03 C ATOM 1948 CD2 PHE B -7 14.093 -15.024 7.857 1.00 41.35 C ATOM 1949 CE1 PHE B -7 11.665 -16.328 7.978 1.00 72.42 C ATOM 1950 CE2 PHE B -7 13.914 -16.212 7.175 1.00 74.33 C ATOM 1951 CZ PHE B -7 12.698 -16.866 7.236 1.00 25.24 C ATOM 0 H1 PHE B -7 11.528 -14.301 10.957 1.00 2.05 H new ATOM 0 H2 PHE B -7 12.091 -13.712 12.447 1.00 2.05 H new ATOM 0 H3 PHE B -7 11.470 -12.637 11.288 1.00 2.05 H new ATOM 0 HA PHE B -7 13.921 -14.252 11.088 1.00 71.25 H new ATOM 0 HB2 PHE B -7 12.438 -12.507 9.109 1.00 72.45 H new ATOM 0 HB3 PHE B -7 14.175 -12.704 8.988 1.00 72.45 H new ATOM 0 HD1 PHE B -7 11.039 -14.723 9.236 1.00 21.03 H new ATOM 0 HD2 PHE B -7 15.046 -14.518 7.807 1.00 41.35 H new ATOM 0 HE1 PHE B -7 10.713 -16.836 8.027 1.00 72.42 H new ATOM 0 HE2 PHE B -7 14.724 -16.629 6.595 1.00 74.33 H new ATOM 0 HZ PHE B -7 12.556 -17.795 6.705 1.00 25.24 H new ATOM 1961 N ILE B -6 13.611 -10.957 11.129 1.00 33.32 N ATOM 1962 CA ILE B -6 14.207 -9.733 11.650 1.00 73.40 C ATOM 1963 C ILE B -6 15.721 -9.739 11.469 1.00 72.01 C ATOM 1964 O ILE B -6 16.484 -9.920 12.418 1.00 32.11 O ATOM 1965 CB ILE B -6 13.880 -9.539 13.142 1.00 2.05 C ATOM 1966 CG1 ILE B -6 12.389 -9.772 13.395 1.00 2.33 C ATOM 1967 CG2 ILE B -6 14.289 -8.146 13.597 1.00 51.20 C ATOM 1968 CD1 ILE B -6 11.490 -8.877 12.572 1.00 52.14 C ATOM 0 H ILE B -6 12.833 -10.807 10.486 1.00 33.32 H new ATOM 0 HA ILE B -6 13.779 -8.907 11.082 1.00 73.40 H new ATOM 0 HB ILE B -6 14.445 -10.270 13.720 1.00 2.05 H new ATOM 0 HG12 ILE B -6 12.150 -10.813 13.177 1.00 2.33 H new ATOM 0 HG13 ILE B -6 12.179 -9.611 14.452 1.00 2.33 H new ATOM 0 HG21 ILE B -6 14.051 -8.024 14.654 1.00 51.20 H new ATOM 0 HG22 ILE B -6 15.361 -8.015 13.448 1.00 51.20 H new ATOM 0 HG23 ILE B -6 13.748 -7.400 13.015 1.00 51.20 H new ATOM 0 HD11 ILE B -6 10.448 -9.097 12.803 1.00 52.14 H new ATOM 0 HD12 ILE B -6 11.701 -7.834 12.807 1.00 52.14 H new ATOM 0 HD13 ILE B -6 11.672 -9.054 11.512 1.00 52.14 H new ATOM 1980 N PRO B -5 16.168 -9.534 10.221 1.00 22.31 N ATOM 1981 CA PRO B -5 17.595 -9.509 9.886 1.00 1.30 C ATOM 1982 C PRO B -5 18.300 -8.278 10.446 1.00 40.23 C ATOM 1983 O PRO B -5 17.858 -7.148 10.235 1.00 65.34 O ATOM 1984 CB PRO B -5 17.600 -9.478 8.356 1.00 55.24 C ATOM 1985 CG PRO B -5 16.291 -8.870 7.985 1.00 33.22 C ATOM 1986 CD PRO B -5 15.316 -9.311 9.041 1.00 34.44 C ATOM 0 HA PRO B -5 18.128 -10.360 10.310 1.00 1.30 H new ATOM 0 HB2 PRO B -5 18.433 -8.887 7.975 1.00 55.24 H new ATOM 0 HB3 PRO B -5 17.703 -10.480 7.940 1.00 55.24 H new ATOM 0 HG2 PRO B -5 16.362 -7.783 7.949 1.00 33.22 H new ATOM 0 HG3 PRO B -5 15.973 -9.202 6.997 1.00 33.22 H new ATOM 0 HD2 PRO B -5 14.558 -8.551 9.231 1.00 34.44 H new ATOM 0 HD3 PRO B -5 14.790 -10.220 8.748 1.00 34.44 H new ATOM 1994 N SER B -4 19.398 -8.504 11.160 1.00 42.24 N ATOM 1995 CA SER B -4 20.162 -7.413 11.753 1.00 45.44 C ATOM 1996 C SER B -4 21.611 -7.441 11.274 1.00 31.32 C ATOM 1997 O SER B -4 22.470 -6.750 11.820 1.00 3.55 O ATOM 1998 CB SER B -4 20.116 -7.500 13.279 1.00 11.13 C ATOM 1999 OG SER B -4 19.664 -8.774 13.704 1.00 62.33 O ATOM 0 H SER B -4 19.778 -9.433 11.342 1.00 42.24 H new ATOM 0 HA SER B -4 19.711 -6.473 11.436 1.00 45.44 H new ATOM 0 HB2 SER B -4 21.108 -7.308 13.687 1.00 11.13 H new ATOM 0 HB3 SER B -4 19.455 -6.727 13.671 1.00 11.13 H new ATOM 0 HG SER B -4 19.645 -8.804 14.683 1.00 62.33 H new ATOM 2005 N ARG B -3 21.873 -8.247 10.250 1.00 4.22 N ATOM 2006 CA ARG B -3 23.217 -8.368 9.698 1.00 3.41 C ATOM 2007 C ARG B -3 23.797 -6.994 9.373 1.00 71.12 C ATOM 2008 O ARG B -3 23.079 -5.999 9.268 1.00 61.21 O ATOM 2009 CB ARG B -3 23.198 -9.236 8.439 1.00 62.21 C ATOM 2010 CG ARG B -3 23.723 -10.645 8.663 1.00 74.10 C ATOM 2011 CD ARG B -3 22.797 -11.447 9.564 1.00 71.40 C ATOM 2012 NE ARG B -3 23.134 -11.288 10.976 1.00 64.50 N ATOM 2013 CZ ARG B -3 24.186 -11.863 11.549 1.00 11.04 C ATOM 2014 NH1 ARG B -3 24.998 -12.630 10.835 1.00 2.31 N ATOM 2015 NH2 ARG B -3 24.427 -11.671 12.840 1.00 50.50 N ATOM 0 H ARG B -3 21.173 -8.826 9.786 1.00 4.22 H new ATOM 0 HA ARG B -3 23.850 -8.842 10.448 1.00 3.41 H new ATOM 0 HB2 ARG B -3 22.177 -9.293 8.063 1.00 62.21 H new ATOM 0 HB3 ARG B -3 23.796 -8.753 7.666 1.00 62.21 H new ATOM 0 HG2 ARG B -3 23.828 -11.152 7.704 1.00 74.10 H new ATOM 0 HG3 ARG B -3 24.716 -10.598 9.110 1.00 74.10 H new ATOM 0 HD2 ARG B -3 21.767 -11.130 9.399 1.00 71.40 H new ATOM 0 HD3 ARG B -3 22.853 -12.502 9.295 1.00 71.40 H new ATOM 0 HE ARG B -3 22.529 -10.704 11.554 1.00 64.50 H new ATOM 0 HH11 ARG B -3 24.816 -12.780 9.843 1.00 2.31 H new ATOM 0 HH12 ARG B -3 25.805 -13.070 11.278 1.00 2.31 H new ATOM 0 HH21 ARG B -3 23.804 -11.082 13.393 1.00 50.50 H new ATOM 0 HH22 ARG B -3 25.235 -12.113 13.279 1.00 50.50 H new ATOM 2029 N PRO B -2 25.127 -6.936 9.210 1.00 71.35 N ATOM 2030 CA PRO B -2 25.832 -5.691 8.894 1.00 44.31 C ATOM 2031 C PRO B -2 25.539 -5.201 7.480 1.00 2.30 C ATOM 2032 O PRO B -2 25.877 -4.073 7.121 1.00 22.12 O ATOM 2033 CB PRO B -2 27.308 -6.074 9.032 1.00 51.12 C ATOM 2034 CG PRO B -2 27.342 -7.543 8.786 1.00 43.22 C ATOM 2035 CD PRO B -2 26.045 -8.083 9.320 1.00 15.30 C ATOM 0 HA PRO B -2 25.527 -4.873 9.547 1.00 44.31 H new ATOM 0 HB2 PRO B -2 27.925 -5.537 8.312 1.00 51.12 H new ATOM 0 HB3 PRO B -2 27.690 -5.830 10.023 1.00 51.12 H new ATOM 0 HG2 PRO B -2 27.446 -7.758 7.722 1.00 43.22 H new ATOM 0 HG3 PRO B -2 28.193 -8.003 9.289 1.00 43.22 H new ATOM 0 HD2 PRO B -2 25.695 -8.935 8.738 1.00 15.30 H new ATOM 0 HD3 PRO B -2 26.145 -8.421 10.352 1.00 15.30 H new ATOM 2043 N ALA B -1 24.908 -6.055 6.682 1.00 60.25 N ATOM 2044 CA ALA B -1 24.567 -5.708 5.308 1.00 42.24 C ATOM 2045 C ALA B -1 25.812 -5.328 4.513 1.00 53.54 C ATOM 2046 O ALA B -1 26.122 -4.151 4.323 1.00 35.15 O ATOM 2047 CB ALA B -1 23.557 -4.570 5.286 1.00 72.40 C ATOM 0 H ALA B -1 24.622 -6.993 6.963 1.00 60.25 H new ATOM 0 HA ALA B -1 24.121 -6.584 4.838 1.00 42.24 H new ATOM 0 HB1 ALA B -1 23.312 -4.321 4.254 1.00 72.40 H new ATOM 0 HB2 ALA B -1 22.652 -4.877 5.810 1.00 72.40 H new ATOM 0 HB3 ALA B -1 23.983 -3.696 5.778 1.00 72.40 H new ATOM 2053 N PRO B 0 26.544 -6.345 4.036 1.00 60.13 N ATOM 2054 CA PRO B 0 27.767 -6.142 3.254 1.00 40.25 C ATOM 2055 C PRO B 0 27.481 -5.570 1.869 1.00 3.11 C ATOM 2056 O PRO B 0 26.476 -5.905 1.243 1.00 73.02 O ATOM 2057 CB PRO B 0 28.353 -7.551 3.139 1.00 24.13 C ATOM 2058 CG PRO B 0 27.182 -8.461 3.281 1.00 65.21 C ATOM 2059 CD PRO B 0 26.234 -7.772 4.223 1.00 62.40 C ATOM 0 HA PRO B 0 28.438 -5.424 3.726 1.00 40.25 H new ATOM 0 HB2 PRO B 0 28.852 -7.695 2.181 1.00 24.13 H new ATOM 0 HB3 PRO B 0 29.095 -7.736 3.916 1.00 24.13 H new ATOM 0 HG2 PRO B 0 26.710 -8.643 2.316 1.00 65.21 H new ATOM 0 HG3 PRO B 0 27.487 -9.431 3.674 1.00 65.21 H new ATOM 0 HD2 PRO B 0 25.195 -7.993 3.980 1.00 62.40 H new ATOM 0 HD3 PRO B 0 26.393 -8.086 5.255 1.00 62.40 H new ATOM 2067 N LYS B 1 28.372 -4.705 1.396 1.00 63.21 N ATOM 2068 CA LYS B 1 28.218 -4.087 0.084 1.00 33.24 C ATOM 2069 C LYS B 1 28.673 -5.035 -1.021 1.00 31.03 C ATOM 2070 O LYS B 1 29.410 -5.993 -0.785 1.00 53.15 O ATOM 2071 CB LYS B 1 29.017 -2.784 0.014 1.00 12.04 C ATOM 2072 CG LYS B 1 28.237 -1.566 0.479 1.00 73.41 C ATOM 2073 CD LYS B 1 28.953 -0.275 0.121 1.00 24.14 C ATOM 2074 CE LYS B 1 30.079 0.027 1.099 1.00 71.40 C ATOM 2075 NZ LYS B 1 30.718 1.343 0.820 1.00 32.42 N ATOM 0 H LYS B 1 29.209 -4.416 1.902 1.00 63.21 H new ATOM 0 HA LYS B 1 27.161 -3.866 -0.064 1.00 33.24 H new ATOM 0 HB2 LYS B 1 29.915 -2.885 0.624 1.00 12.04 H new ATOM 0 HB3 LYS B 1 29.346 -2.624 -1.013 1.00 12.04 H new ATOM 0 HG2 LYS B 1 27.246 -1.572 0.024 1.00 73.41 H new ATOM 0 HG3 LYS B 1 28.092 -1.616 1.558 1.00 73.41 H new ATOM 0 HD2 LYS B 1 29.357 -0.349 -0.889 1.00 24.14 H new ATOM 0 HD3 LYS B 1 28.240 0.549 0.119 1.00 24.14 H new ATOM 0 HE2 LYS B 1 29.688 0.022 2.116 1.00 71.40 H new ATOM 0 HE3 LYS B 1 30.830 -0.761 1.042 1.00 71.40 H new ATOM 0 HZ1 LYS B 1 31.480 1.512 1.508 1.00 32.42 H new ATOM 0 HZ2 LYS B 1 31.114 1.340 -0.142 1.00 32.42 H new ATOM 0 HZ3 LYS B 1 30.007 2.098 0.899 1.00 32.42 H new ATOM 2089 N PRO B 2 28.226 -4.763 -2.256 1.00 24.11 N ATOM 2090 CA PRO B 2 28.577 -5.579 -3.422 1.00 63.10 C ATOM 2091 C PRO B 2 30.044 -5.431 -3.813 1.00 54.34 C ATOM 2092 O PRO B 2 30.740 -4.518 -3.370 1.00 1.43 O ATOM 2093 CB PRO B 2 27.671 -5.029 -4.526 1.00 11.31 C ATOM 2094 CG PRO B 2 27.379 -3.628 -4.113 1.00 12.53 C ATOM 2095 CD PRO B 2 27.345 -3.638 -2.609 1.00 40.44 C ATOM 0 HA PRO B 2 28.440 -6.643 -3.231 1.00 63.10 H new ATOM 0 HB2 PRO B 2 28.166 -5.061 -5.497 1.00 11.31 H new ATOM 0 HB3 PRO B 2 26.756 -5.614 -4.615 1.00 11.31 H new ATOM 0 HG2 PRO B 2 28.144 -2.945 -4.481 1.00 12.53 H new ATOM 0 HG3 PRO B 2 26.427 -3.291 -4.523 1.00 12.53 H new ATOM 0 HD2 PRO B 2 27.707 -2.698 -2.193 1.00 40.44 H new ATOM 0 HD3 PRO B 2 26.333 -3.786 -2.231 1.00 40.44 H new ATOM 2103 N PRO B 3 30.526 -6.348 -4.665 1.00 35.43 N ATOM 2104 CA PRO B 3 31.914 -6.340 -5.135 1.00 52.22 C ATOM 2105 C PRO B 3 32.200 -5.174 -6.076 1.00 31.30 C ATOM 2106 O PRO B 3 31.927 -5.250 -7.274 1.00 14.42 O ATOM 2107 CB PRO B 3 32.045 -7.672 -5.879 1.00 14.54 C ATOM 2108 CG PRO B 3 30.657 -8.004 -6.307 1.00 20.33 C ATOM 2109 CD PRO B 3 29.752 -7.465 -5.234 1.00 1.22 C ATOM 0 HA PRO B 3 32.622 -6.224 -4.314 1.00 52.22 H new ATOM 0 HB2 PRO B 3 32.713 -7.583 -6.736 1.00 14.54 H new ATOM 0 HB3 PRO B 3 32.456 -8.448 -5.233 1.00 14.54 H new ATOM 0 HG2 PRO B 3 30.428 -7.554 -7.273 1.00 20.33 H new ATOM 0 HG3 PRO B 3 30.530 -9.081 -6.420 1.00 20.33 H new ATOM 0 HD2 PRO B 3 28.800 -7.127 -5.643 1.00 1.22 H new ATOM 0 HD3 PRO B 3 29.525 -8.221 -4.482 1.00 1.22 H new