USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 617 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 GLN : amide:sc= -0.0572 K(o=-0.22,f=-8.1!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ -139:sc= -0.165 (180deg=-0.289) USER MOD Set 2.1: A 33 THR OG1 : rot -46:sc= 2.42 USER MOD Set 2.2: A 35 THR OG1 : rot -53:sc= 1.14 USER MOD Set 3.1: A 13 ASN : amide:sc= 0.0149 X(o=0.019,f=-0.29) USER MOD Set 3.2: A 25 TYR OH : rot -164:sc= 0.00374 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 26 SER OG : rot 7:sc= 1.04 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 56:sc= 1.27 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 1.544 -11.979 1.073 1.00 0.00 N ATOM 67 CA PHE A 8 2.051 -10.622 1.226 1.00 0.00 C ATOM 68 C PHE A 8 0.875 -9.651 1.233 1.00 0.00 C ATOM 69 O PHE A 8 0.741 -8.838 2.145 1.00 0.00 O ATOM 70 CB PHE A 8 3.026 -10.299 0.094 1.00 0.00 C ATOM 71 CG PHE A 8 3.400 -8.834 0.037 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.276 -8.300 0.993 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.855 -7.996 -0.952 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.652 -6.951 0.931 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.272 -6.658 -1.050 1.00 0.00 C ATOM 76 CZ PHE A 8 4.173 -6.139 -0.107 1.00 0.00 C ATOM 0 HA PHE A 8 2.590 -10.528 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.930 -10.895 0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.581 -10.592 -0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.662 -8.931 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.115 -8.382 -1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.310 -6.538 1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.901 -6.031 -1.848 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.498 -5.112 -0.181 1.00 0.00 H new ATOM 86 N LYS A 9 -0.025 -9.768 0.254 1.00 0.00 N ATOM 87 CA LYS A 9 -1.212 -8.929 0.156 1.00 0.00 C ATOM 88 C LYS A 9 -2.182 -9.114 1.334 1.00 0.00 C ATOM 89 O LYS A 9 -3.148 -8.364 1.415 1.00 0.00 O ATOM 90 CB LYS A 9 -1.903 -9.156 -1.205 1.00 0.00 C ATOM 91 CG LYS A 9 -2.766 -7.974 -1.673 1.00 0.00 C ATOM 92 CD LYS A 9 -3.510 -8.293 -2.975 1.00 0.00 C ATOM 93 CE LYS A 9 -4.211 -7.013 -3.439 1.00 0.00 C ATOM 94 NZ LYS A 9 -5.042 -7.214 -4.641 1.00 0.00 N ATOM 0 H LYS A 9 0.054 -10.454 -0.497 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.887 -7.890 0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.141 -9.357 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.529 -10.046 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.486 -7.720 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.134 -7.098 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.814 -8.645 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.236 -9.090 -2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.837 -6.635 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.461 -6.249 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.491 -6.314 -4.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.445 -7.548 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.777 -7.921 -4.440 1.00 0.00 H new ATOM 108 N ALA A 10 -2.043 -10.129 2.191 1.00 0.00 N ATOM 109 CA ALA A 10 -2.763 -10.157 3.462 1.00 0.00 C ATOM 110 C ALA A 10 -2.063 -9.230 4.444 1.00 0.00 C ATOM 111 O ALA A 10 -2.630 -8.218 4.835 1.00 0.00 O ATOM 112 CB ALA A 10 -2.826 -11.574 4.034 1.00 0.00 C ATOM 0 H ALA A 10 -1.442 -10.937 2.027 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.787 -9.823 3.294 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.368 -11.561 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.340 -12.228 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.815 -11.944 4.201 1.00 0.00 H new ATOM 118 N GLU A 11 -0.824 -9.564 4.803 1.00 0.00 N ATOM 119 CA GLU A 11 -0.017 -8.873 5.801 1.00 0.00 C ATOM 120 C GLU A 11 0.016 -7.372 5.548 1.00 0.00 C ATOM 121 O GLU A 11 -0.096 -6.577 6.481 1.00 0.00 O ATOM 122 CB GLU A 11 1.407 -9.417 5.715 1.00 0.00 C ATOM 123 CG GLU A 11 1.589 -10.778 6.375 1.00 0.00 C ATOM 124 CD GLU A 11 1.859 -10.721 7.881 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.040 -9.627 8.461 1.00 0.00 O ATOM 126 OE2 GLU A 11 2.059 -11.812 8.466 1.00 0.00 O ATOM 0 H GLU A 11 -0.337 -10.358 4.387 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.452 -9.042 6.786 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.694 -9.491 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.087 -8.704 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.694 -11.375 6.201 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.416 -11.296 5.889 1.00 0.00 H new ATOM 133 N LEU A 12 0.226 -6.987 4.289 1.00 0.00 N ATOM 134 CA LEU A 12 0.359 -5.595 3.904 1.00 0.00 C ATOM 135 C LEU A 12 -0.989 -4.883 4.000 1.00 0.00 C ATOM 136 O LEU A 12 -1.047 -3.740 4.435 1.00 0.00 O ATOM 137 CB LEU A 12 0.881 -5.508 2.464 1.00 0.00 C ATOM 138 CG LEU A 12 1.454 -4.104 2.186 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.828 -3.885 2.828 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.524 -3.875 0.683 1.00 0.00 C ATOM 0 H LEU A 12 0.308 -7.640 3.510 1.00 0.00 H new ATOM 0 HA LEU A 12 1.062 -5.110 4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.652 -6.261 2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.074 -5.724 1.764 1.00 0.00 H new ATOM 0 HG LEU A 12 0.782 -3.378 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.181 -2.880 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.748 -4.003 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.534 -4.616 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.929 -2.883 0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.169 -4.628 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.524 -3.951 0.256 1.00 0.00 H new ATOM 152 N ASN A 13 -2.070 -5.543 3.581 1.00 0.00 N ATOM 153 CA ASN A 13 -3.420 -4.977 3.600 1.00 0.00 C ATOM 154 C ASN A 13 -3.816 -4.720 5.044 1.00 0.00 C ATOM 155 O ASN A 13 -4.237 -3.617 5.376 1.00 0.00 O ATOM 156 CB ASN A 13 -4.335 -5.981 2.900 1.00 0.00 C ATOM 157 CG ASN A 13 -5.817 -5.651 2.887 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.257 -4.511 2.939 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.622 -6.684 2.698 1.00 0.00 N ATOM 0 H ASN A 13 -2.033 -6.495 3.215 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.488 -4.023 3.077 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.000 -6.087 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.206 -6.952 3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.626 -6.536 2.593 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.239 -7.628 2.657 1.00 0.00 H new ATOM 166 N GLU A 14 -3.616 -5.705 5.918 1.00 0.00 N ATOM 167 CA GLU A 14 -3.819 -5.544 7.356 1.00 0.00 C ATOM 168 C GLU A 14 -2.965 -4.401 7.936 1.00 0.00 C ATOM 169 O GLU A 14 -3.518 -3.538 8.619 1.00 0.00 O ATOM 170 CB GLU A 14 -3.568 -6.876 8.082 1.00 0.00 C ATOM 171 CG GLU A 14 -4.625 -7.947 7.758 1.00 0.00 C ATOM 172 CD GLU A 14 -6.047 -7.482 8.081 1.00 0.00 C ATOM 173 OE1 GLU A 14 -6.268 -6.915 9.173 1.00 0.00 O ATOM 174 OE2 GLU A 14 -6.953 -7.652 7.226 1.00 0.00 O ATOM 0 H GLU A 14 -3.308 -6.639 5.648 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.858 -5.260 7.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.582 -7.252 7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.555 -6.700 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.562 -8.207 6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.405 -8.853 8.323 1.00 0.00 H new ATOM 181 N PHE A 15 -1.661 -4.343 7.632 1.00 0.00 N ATOM 182 CA PHE A 15 -0.769 -3.268 8.082 1.00 0.00 C ATOM 183 C PHE A 15 -1.344 -1.897 7.706 1.00 0.00 C ATOM 184 O PHE A 15 -1.537 -1.030 8.558 1.00 0.00 O ATOM 185 CB PHE A 15 0.643 -3.453 7.485 1.00 0.00 C ATOM 186 CG PHE A 15 1.562 -2.257 7.689 1.00 0.00 C ATOM 187 CD1 PHE A 15 2.101 -1.994 8.963 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.813 -1.360 6.627 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.892 -0.850 9.167 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.589 -0.204 6.834 1.00 0.00 C ATOM 191 CZ PHE A 15 3.144 0.033 8.102 1.00 0.00 C ATOM 0 H PHE A 15 -1.193 -5.047 7.062 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.690 -3.316 9.168 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.104 -4.333 7.934 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.552 -3.650 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.907 -2.670 9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.406 -1.563 5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.307 -0.649 10.144 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.756 0.493 6.026 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.769 0.900 8.260 1.00 0.00 H new ATOM 201 N LEU A 16 -1.604 -1.697 6.414 1.00 0.00 N ATOM 202 CA LEU A 16 -2.096 -0.442 5.858 1.00 0.00 C ATOM 203 C LEU A 16 -3.468 -0.082 6.435 1.00 0.00 C ATOM 204 O LEU A 16 -3.711 1.092 6.690 1.00 0.00 O ATOM 205 CB LEU A 16 -2.215 -0.597 4.334 1.00 0.00 C ATOM 206 CG LEU A 16 -0.890 -0.738 3.564 1.00 0.00 C ATOM 207 CD1 LEU A 16 -1.163 -1.177 2.126 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.074 0.544 3.558 1.00 0.00 C ATOM 0 H LEU A 16 -1.474 -2.423 5.710 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.398 0.355 6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.829 -1.473 4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.750 0.268 3.942 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.303 -1.495 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.219 -1.274 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.678 -2.138 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.787 -0.433 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.849 0.385 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.650 1.340 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.165 0.828 4.583 1.00 0.00 H new ATOM 220 N THR A 17 -4.346 -1.067 6.665 1.00 0.00 N ATOM 221 CA THR A 17 -5.680 -0.856 7.222 1.00 0.00 C ATOM 222 C THR A 17 -5.598 -0.077 8.537 1.00 0.00 C ATOM 223 O THR A 17 -6.359 0.866 8.744 1.00 0.00 O ATOM 224 CB THR A 17 -6.389 -2.213 7.413 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.620 -2.858 6.180 1.00 0.00 O ATOM 226 CG2 THR A 17 -7.734 -2.079 8.113 1.00 0.00 C ATOM 0 H THR A 17 -4.142 -2.046 6.465 1.00 0.00 H new ATOM 0 HA THR A 17 -6.268 -0.259 6.525 1.00 0.00 H new ATOM 0 HB THR A 17 -5.712 -2.801 8.033 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.816 -3.349 5.912 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.188 -3.064 8.221 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.589 -1.637 9.099 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.390 -1.440 7.522 1.00 0.00 H new ATOM 234 N ARG A 18 -4.708 -0.494 9.438 1.00 0.00 N ATOM 235 CA ARG A 18 -4.438 0.190 10.689 1.00 0.00 C ATOM 236 C ARG A 18 -3.815 1.557 10.408 1.00 0.00 C ATOM 237 O ARG A 18 -4.362 2.586 10.810 1.00 0.00 O ATOM 238 CB ARG A 18 -3.485 -0.700 11.498 1.00 0.00 C ATOM 239 CG ARG A 18 -4.162 -1.699 12.441 1.00 0.00 C ATOM 240 CD ARG A 18 -4.987 -2.803 11.771 1.00 0.00 C ATOM 241 NE ARG A 18 -6.397 -2.411 11.633 1.00 0.00 N ATOM 242 CZ ARG A 18 -7.417 -3.220 11.336 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.208 -4.487 10.997 1.00 0.00 N ATOM 244 NH2 ARG A 18 -8.641 -2.722 11.377 1.00 0.00 N ATOM 0 H ARG A 18 -4.146 -1.336 9.309 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.355 0.361 11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.853 -1.253 10.803 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.828 -0.059 12.086 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.392 -2.169 13.053 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.814 -1.146 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.571 -3.024 10.788 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.918 -3.718 12.359 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.618 -1.426 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.257 -4.855 10.961 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.998 -5.092 10.773 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.786 -1.745 11.630 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.441 -3.315 11.155 1.00 0.00 H new ATOM 258 N GLU A 19 -2.677 1.575 9.712 1.00 0.00 N ATOM 259 CA GLU A 19 -1.861 2.775 9.545 1.00 0.00 C ATOM 260 C GLU A 19 -2.618 3.942 8.895 1.00 0.00 C ATOM 261 O GLU A 19 -2.284 5.098 9.164 1.00 0.00 O ATOM 262 CB GLU A 19 -0.602 2.430 8.730 1.00 0.00 C ATOM 263 CG GLU A 19 0.606 2.076 9.607 1.00 0.00 C ATOM 264 CD GLU A 19 1.147 3.238 10.451 1.00 0.00 C ATOM 265 OE1 GLU A 19 0.777 4.413 10.217 1.00 0.00 O ATOM 266 OE2 GLU A 19 1.952 2.973 11.366 1.00 0.00 O ATOM 0 H GLU A 19 -2.295 0.752 9.246 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.583 3.115 10.543 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.823 1.591 8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.345 3.277 8.094 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.327 1.260 10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.407 1.706 8.967 1.00 0.00 H new ATOM 273 N LEU A 20 -3.632 3.651 8.073 1.00 0.00 N ATOM 274 CA LEU A 20 -4.388 4.613 7.272 1.00 0.00 C ATOM 275 C LEU A 20 -5.882 4.605 7.626 1.00 0.00 C ATOM 276 O LEU A 20 -6.704 5.086 6.842 1.00 0.00 O ATOM 277 CB LEU A 20 -4.157 4.313 5.780 1.00 0.00 C ATOM 278 CG LEU A 20 -2.694 4.446 5.335 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.571 3.970 3.889 1.00 0.00 C ATOM 280 CD2 LEU A 20 -2.169 5.882 5.449 1.00 0.00 C ATOM 0 H LEU A 20 -3.961 2.694 7.944 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.030 5.618 7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.500 3.301 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.770 4.990 5.185 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.088 3.831 6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.535 4.061 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.883 2.928 3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.207 4.582 3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.130 5.917 5.121 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.770 6.540 4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.233 6.212 6.486 1.00 0.00 H new ATOM 292 N ALA A 21 -6.252 4.060 8.792 1.00 0.00 N ATOM 293 CA ALA A 21 -7.639 3.888 9.216 1.00 0.00 C ATOM 294 C ALA A 21 -8.467 5.176 9.125 1.00 0.00 C ATOM 295 O ALA A 21 -9.661 5.108 8.814 1.00 0.00 O ATOM 296 CB ALA A 21 -7.670 3.357 10.656 1.00 0.00 C ATOM 0 H ALA A 21 -5.578 3.721 9.478 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.094 3.174 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.705 3.228 10.974 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.154 2.398 10.701 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.173 4.068 11.317 1.00 0.00 H new ATOM 302 N GLU A 22 -7.878 6.345 9.405 1.00 0.00 N ATOM 303 CA GLU A 22 -8.592 7.615 9.373 1.00 0.00 C ATOM 304 C GLU A 22 -8.526 8.293 8.006 1.00 0.00 C ATOM 305 O GLU A 22 -9.385 9.125 7.698 1.00 0.00 O ATOM 306 CB GLU A 22 -8.081 8.528 10.493 1.00 0.00 C ATOM 307 CG GLU A 22 -8.756 8.113 11.803 1.00 0.00 C ATOM 308 CD GLU A 22 -8.105 8.741 13.027 1.00 0.00 C ATOM 309 OE1 GLU A 22 -6.937 8.383 13.304 1.00 0.00 O ATOM 310 OE2 GLU A 22 -8.788 9.495 13.748 1.00 0.00 O ATOM 0 H GLU A 22 -6.894 6.431 9.659 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.648 7.410 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.998 8.448 10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.305 9.570 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.808 8.397 11.770 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.722 7.027 11.896 1.00 0.00 H new ATOM 317 N ASP A 23 -7.568 7.927 7.160 1.00 0.00 N ATOM 318 CA ASP A 23 -7.381 8.490 5.824 1.00 0.00 C ATOM 319 C ASP A 23 -8.508 8.088 4.889 1.00 0.00 C ATOM 320 O ASP A 23 -8.795 8.803 3.930 1.00 0.00 O ATOM 321 CB ASP A 23 -6.075 8.008 5.187 1.00 0.00 C ATOM 322 CG ASP A 23 -4.855 8.583 5.897 1.00 0.00 C ATOM 323 OD1 ASP A 23 -4.642 8.198 7.071 1.00 0.00 O ATOM 324 OD2 ASP A 23 -4.194 9.476 5.329 1.00 0.00 O ATOM 0 H ASP A 23 -6.880 7.210 7.390 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.362 9.572 5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.035 6.919 5.219 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.054 8.297 4.136 1.00 0.00 H new ATOM 329 N GLY A 24 -9.150 6.949 5.152 1.00 0.00 N ATOM 330 CA GLY A 24 -10.068 6.375 4.200 1.00 0.00 C ATOM 331 C GLY A 24 -9.338 5.413 3.288 1.00 0.00 C ATOM 332 O GLY A 24 -9.481 5.529 2.072 1.00 0.00 O ATOM 0 H GLY A 24 -9.044 6.417 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.869 5.854 4.724 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.534 7.165 3.610 1.00 0.00 H new ATOM 336 N TYR A 25 -8.572 4.479 3.853 1.00 0.00 N ATOM 337 CA TYR A 25 -8.019 3.323 3.181 1.00 0.00 C ATOM 338 C TYR A 25 -9.138 2.481 2.557 1.00 0.00 C ATOM 339 O TYR A 25 -10.332 2.699 2.780 1.00 0.00 O ATOM 340 CB TYR A 25 -7.219 2.518 4.218 1.00 0.00 C ATOM 341 CG TYR A 25 -6.465 1.330 3.652 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.412 1.548 2.749 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.853 0.018 3.984 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.729 0.452 2.192 1.00 0.00 C ATOM 345 CE2 TYR A 25 -6.149 -1.079 3.454 1.00 0.00 C ATOM 346 CZ TYR A 25 -5.092 -0.863 2.550 1.00 0.00 C ATOM 347 OH TYR A 25 -4.430 -1.920 2.010 1.00 0.00 O ATOM 0 H TYR A 25 -8.313 4.518 4.839 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.361 3.628 2.367 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.507 3.184 4.705 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.903 2.163 4.989 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.127 2.555 2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.691 -0.146 4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.926 0.618 1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.419 -2.085 3.740 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.948 -2.739 2.156 1.00 0.00 H new ATOM 357 N SER A 26 -8.767 1.526 1.713 1.00 0.00 N ATOM 358 CA SER A 26 -9.686 0.599 1.090 1.00 0.00 C ATOM 359 C SER A 26 -8.962 -0.696 0.725 1.00 0.00 C ATOM 360 O SER A 26 -9.480 -1.786 0.981 1.00 0.00 O ATOM 361 CB SER A 26 -10.251 1.307 -0.140 1.00 0.00 C ATOM 362 OG SER A 26 -11.208 2.273 0.271 1.00 0.00 O ATOM 0 H SER A 26 -7.795 1.376 1.441 1.00 0.00 H new ATOM 0 HA SER A 26 -10.496 0.317 1.762 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.448 1.789 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.714 0.582 -0.810 1.00 0.00 H new ATOM 0 HG SER A 26 -11.204 2.342 1.249 1.00 0.00 H new ATOM 368 N GLY A 27 -7.755 -0.617 0.166 1.00 0.00 N ATOM 369 CA GLY A 27 -7.006 -1.799 -0.215 1.00 0.00 C ATOM 370 C GLY A 27 -5.660 -1.410 -0.790 1.00 0.00 C ATOM 371 O GLY A 27 -5.195 -0.284 -0.633 1.00 0.00 O ATOM 0 H GLY A 27 -7.278 0.263 -0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.865 -2.443 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.570 -2.373 -0.950 1.00 0.00 H new ATOM 375 N VAL A 28 -4.995 -2.351 -1.438 1.00 0.00 N ATOM 376 CA VAL A 28 -3.679 -2.134 -2.007 1.00 0.00 C ATOM 377 C VAL A 28 -3.579 -3.024 -3.247 1.00 0.00 C ATOM 378 O VAL A 28 -4.301 -4.022 -3.362 1.00 0.00 O ATOM 379 CB VAL A 28 -2.624 -2.414 -0.914 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.727 -3.829 -0.313 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.192 -2.142 -1.384 1.00 0.00 C ATOM 0 H VAL A 28 -5.357 -3.293 -1.584 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.500 -1.109 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.859 -1.704 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.957 -3.958 0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.710 -3.962 0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.587 -4.570 -1.100 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.496 -2.357 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.962 -2.779 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.097 -1.096 -1.676 1.00 0.00 H new ATOM 391 N GLU A 29 -2.693 -2.678 -4.170 1.00 0.00 N ATOM 392 CA GLU A 29 -2.383 -3.428 -5.374 1.00 0.00 C ATOM 393 C GLU A 29 -0.883 -3.691 -5.398 1.00 0.00 C ATOM 394 O GLU A 29 -0.078 -2.831 -5.034 1.00 0.00 O ATOM 395 CB GLU A 29 -2.899 -2.668 -6.604 1.00 0.00 C ATOM 396 CG GLU A 29 -4.416 -2.872 -6.674 1.00 0.00 C ATOM 397 CD GLU A 29 -5.144 -2.064 -7.748 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.530 -1.467 -8.651 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.400 -2.043 -7.719 1.00 0.00 O ATOM 0 H GLU A 29 -2.144 -1.822 -4.093 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.885 -4.395 -5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.659 -1.608 -6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.421 -3.038 -7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.614 -3.930 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.843 -2.620 -5.703 1.00 0.00 H new ATOM 406 N VAL A 30 -0.526 -4.911 -5.792 1.00 0.00 N ATOM 407 CA VAL A 30 0.815 -5.462 -5.764 1.00 0.00 C ATOM 408 C VAL A 30 1.124 -6.077 -7.127 1.00 0.00 C ATOM 409 O VAL A 30 0.504 -7.054 -7.567 1.00 0.00 O ATOM 410 CB VAL A 30 0.990 -6.402 -4.560 1.00 0.00 C ATOM 411 CG1 VAL A 30 -0.092 -7.481 -4.401 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.389 -7.036 -4.579 1.00 0.00 C ATOM 0 H VAL A 30 -1.208 -5.575 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 30 1.562 -4.684 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 30 0.873 -5.764 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.126 -8.088 -3.523 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.065 -7.005 -4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.106 -8.116 -5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.500 -7.699 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.517 -7.607 -5.498 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.145 -6.252 -4.531 1.00 0.00 H new ATOM 422 N ARG A 31 2.120 -5.502 -7.792 1.00 0.00 N ATOM 423 CA ARG A 31 2.665 -5.912 -9.068 1.00 0.00 C ATOM 424 C ARG A 31 4.082 -6.367 -8.764 1.00 0.00 C ATOM 425 O ARG A 31 4.891 -5.619 -8.208 1.00 0.00 O ATOM 426 CB ARG A 31 2.616 -4.725 -10.048 1.00 0.00 C ATOM 427 CG ARG A 31 1.166 -4.322 -10.364 1.00 0.00 C ATOM 428 CD ARG A 31 1.113 -3.108 -11.290 1.00 0.00 C ATOM 429 NE ARG A 31 -0.275 -2.798 -11.684 1.00 0.00 N ATOM 430 CZ ARG A 31 -0.817 -1.576 -11.758 1.00 0.00 C ATOM 431 NH1 ARG A 31 -0.053 -0.499 -11.623 1.00 0.00 N ATOM 432 NH2 ARG A 31 -2.120 -1.439 -11.969 1.00 0.00 N ATOM 0 H ARG A 31 2.597 -4.680 -7.422 1.00 0.00 H new ATOM 0 HA ARG A 31 2.105 -6.717 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.147 -3.875 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.131 -4.991 -10.971 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.647 -5.160 -10.830 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.639 -4.097 -9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.553 -2.246 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.712 -3.300 -12.180 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.876 -3.587 -11.922 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.949 -0.601 -11.463 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.468 0.431 -11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.709 -2.265 -12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.532 -0.508 -12.025 1.00 0.00 H new ATOM 446 N VAL A 32 4.367 -7.616 -9.103 1.00 0.00 N ATOM 447 CA VAL A 32 5.642 -8.265 -8.861 1.00 0.00 C ATOM 448 C VAL A 32 6.288 -8.368 -10.231 1.00 0.00 C ATOM 449 O VAL A 32 5.755 -9.042 -11.114 1.00 0.00 O ATOM 450 CB VAL A 32 5.410 -9.628 -8.181 1.00 0.00 C ATOM 451 CG1 VAL A 32 6.728 -10.380 -7.962 1.00 0.00 C ATOM 452 CG2 VAL A 32 4.731 -9.446 -6.815 1.00 0.00 C ATOM 0 H VAL A 32 3.693 -8.223 -9.569 1.00 0.00 H new ATOM 0 HA VAL A 32 6.296 -7.718 -8.181 1.00 0.00 H new ATOM 0 HB VAL A 32 4.769 -10.206 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.525 -11.337 -7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.212 -10.553 -8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.385 -9.786 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.577 -10.421 -6.353 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.365 -8.836 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.769 -8.952 -6.950 1.00 0.00 H new ATOM 462 N THR A 33 7.368 -7.627 -10.452 1.00 0.00 N ATOM 463 CA THR A 33 7.997 -7.527 -11.762 1.00 0.00 C ATOM 464 C THR A 33 9.446 -8.018 -11.652 1.00 0.00 C ATOM 465 O THR A 33 9.978 -8.098 -10.538 1.00 0.00 O ATOM 466 CB THR A 33 7.857 -6.084 -12.288 1.00 0.00 C ATOM 467 OG1 THR A 33 8.759 -5.217 -11.631 1.00 0.00 O ATOM 468 CG2 THR A 33 6.440 -5.515 -12.171 1.00 0.00 C ATOM 0 H THR A 33 7.832 -7.079 -9.727 1.00 0.00 H new ATOM 0 HA THR A 33 7.505 -8.165 -12.496 1.00 0.00 H new ATOM 0 HB THR A 33 8.093 -6.144 -13.350 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.730 -5.385 -10.666 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.423 -4.497 -12.561 1.00 0.00 H new ATOM 0 HG22 THR A 33 5.751 -6.135 -12.744 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.136 -5.507 -11.124 1.00 0.00 H new ATOM 476 N PRO A 34 10.142 -8.266 -12.771 1.00 0.00 N ATOM 477 CA PRO A 34 11.580 -8.504 -12.772 1.00 0.00 C ATOM 478 C PRO A 34 12.370 -7.185 -12.648 1.00 0.00 C ATOM 479 O PRO A 34 13.489 -7.095 -13.146 1.00 0.00 O ATOM 480 CB PRO A 34 11.834 -9.238 -14.095 1.00 0.00 C ATOM 481 CG PRO A 34 10.792 -8.656 -15.040 1.00 0.00 C ATOM 482 CD PRO A 34 9.612 -8.327 -14.128 1.00 0.00 C ATOM 0 HA PRO A 34 11.917 -9.093 -11.919 1.00 0.00 H new ATOM 0 HB2 PRO A 34 12.846 -9.065 -14.460 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.715 -10.316 -13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.165 -7.766 -15.547 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.512 -9.370 -15.814 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.157 -7.377 -14.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.836 -9.088 -14.208 1.00 0.00 H new ATOM 490 N THR A 35 11.779 -6.109 -12.108 1.00 0.00 N ATOM 491 CA THR A 35 12.362 -4.770 -12.173 1.00 0.00 C ATOM 492 C THR A 35 12.444 -4.139 -10.776 1.00 0.00 C ATOM 493 O THR A 35 13.524 -3.722 -10.360 1.00 0.00 O ATOM 494 CB THR A 35 11.641 -3.929 -13.248 1.00 0.00 C ATOM 495 OG1 THR A 35 10.354 -3.493 -12.861 1.00 0.00 O ATOM 496 CG2 THR A 35 11.467 -4.662 -14.586 1.00 0.00 C ATOM 0 H THR A 35 10.886 -6.147 -11.616 1.00 0.00 H new ATOM 0 HA THR A 35 13.400 -4.821 -12.503 1.00 0.00 H new ATOM 0 HB THR A 35 12.308 -3.075 -13.366 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.822 -4.263 -12.569 1.00 0.00 H new ATOM 0 HG21 THR A 35 10.953 -4.011 -15.293 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.446 -4.930 -14.984 1.00 0.00 H new ATOM 0 HG23 THR A 35 10.879 -5.566 -14.432 1.00 0.00 H new ATOM 504 N ARG A 36 11.327 -4.099 -10.044 1.00 0.00 N ATOM 505 CA ARG A 36 11.218 -3.922 -8.595 1.00 0.00 C ATOM 506 C ARG A 36 9.822 -4.387 -8.177 1.00 0.00 C ATOM 507 O ARG A 36 8.988 -4.670 -9.045 1.00 0.00 O ATOM 508 CB ARG A 36 11.521 -2.468 -8.172 1.00 0.00 C ATOM 509 CG ARG A 36 10.713 -1.354 -8.858 1.00 0.00 C ATOM 510 CD ARG A 36 11.218 0.051 -8.470 1.00 0.00 C ATOM 511 NE ARG A 36 12.584 0.322 -8.980 1.00 0.00 N ATOM 512 CZ ARG A 36 12.987 1.480 -9.524 1.00 0.00 C ATOM 513 NH1 ARG A 36 12.280 2.587 -9.328 1.00 0.00 N ATOM 514 NH2 ARG A 36 14.090 1.535 -10.261 1.00 0.00 N ATOM 0 H ARG A 36 10.410 -4.197 -10.481 1.00 0.00 H new ATOM 0 HA ARG A 36 11.966 -4.524 -8.079 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.361 -2.389 -7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.579 -2.277 -8.351 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.775 -1.475 -9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.662 -1.449 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.531 0.802 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.212 0.149 -7.384 1.00 0.00 H new ATOM 0 HE ARG A 36 13.270 -0.430 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.431 2.557 -8.764 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.586 3.468 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.641 0.691 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.387 2.421 -10.670 1.00 0.00 H new ATOM 528 N THR A 37 9.543 -4.479 -6.884 1.00 0.00 N ATOM 529 CA THR A 37 8.176 -4.660 -6.419 1.00 0.00 C ATOM 530 C THR A 37 7.559 -3.271 -6.264 1.00 0.00 C ATOM 531 O THR A 37 8.196 -2.347 -5.756 1.00 0.00 O ATOM 532 CB THR A 37 8.177 -5.479 -5.123 1.00 0.00 C ATOM 533 OG1 THR A 37 8.816 -6.721 -5.375 1.00 0.00 O ATOM 534 CG2 THR A 37 6.752 -5.766 -4.635 1.00 0.00 C ATOM 0 H THR A 37 10.242 -4.432 -6.142 1.00 0.00 H new ATOM 0 HA THR A 37 7.570 -5.224 -7.128 1.00 0.00 H new ATOM 0 HB THR A 37 8.699 -4.905 -4.357 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.826 -7.256 -4.554 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.793 -6.348 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.236 -4.825 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.213 -6.329 -5.397 1.00 0.00 H new ATOM 542 N GLU A 38 6.310 -3.140 -6.692 1.00 0.00 N ATOM 543 CA GLU A 38 5.510 -1.932 -6.584 1.00 0.00 C ATOM 544 C GLU A 38 4.412 -2.215 -5.568 1.00 0.00 C ATOM 545 O GLU A 38 3.931 -3.348 -5.449 1.00 0.00 O ATOM 546 CB GLU A 38 4.899 -1.644 -7.959 1.00 0.00 C ATOM 547 CG GLU A 38 5.963 -1.282 -9.005 1.00 0.00 C ATOM 548 CD GLU A 38 5.301 -0.795 -10.293 1.00 0.00 C ATOM 549 OE1 GLU A 38 4.854 -1.612 -11.127 1.00 0.00 O ATOM 550 OE2 GLU A 38 5.245 0.436 -10.516 1.00 0.00 O ATOM 0 H GLU A 38 5.808 -3.906 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 38 6.100 -1.072 -6.268 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.343 -2.518 -8.297 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.184 -0.825 -7.872 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.620 -0.507 -8.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.586 -2.151 -9.215 1.00 0.00 H new ATOM 557 N ILE A 39 3.943 -1.182 -4.887 1.00 0.00 N ATOM 558 CA ILE A 39 2.871 -1.235 -3.901 1.00 0.00 C ATOM 559 C ILE A 39 2.038 0.006 -4.178 1.00 0.00 C ATOM 560 O ILE A 39 2.596 1.093 -4.124 1.00 0.00 O ATOM 561 CB ILE A 39 3.468 -1.221 -2.469 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.265 -2.511 -2.167 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.367 -0.997 -1.416 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.060 -2.460 -0.855 1.00 0.00 C ATOM 0 H ILE A 39 4.315 -0.240 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 39 2.269 -2.141 -3.969 1.00 0.00 H new ATOM 0 HB ILE A 39 4.167 -0.386 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.573 -3.353 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.954 -2.702 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.811 -0.991 -0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.877 -0.041 -1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.633 -1.800 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.591 -3.401 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.778 -1.641 -0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.376 -2.302 -0.021 1.00 0.00 H new ATOM 576 N ILE A 40 0.743 -0.112 -4.463 1.00 0.00 N ATOM 577 CA ILE A 40 -0.120 1.032 -4.734 1.00 0.00 C ATOM 578 C ILE A 40 -1.279 0.975 -3.751 1.00 0.00 C ATOM 579 O ILE A 40 -2.120 0.081 -3.825 1.00 0.00 O ATOM 580 CB ILE A 40 -0.552 1.044 -6.212 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.682 1.202 -7.130 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.509 2.212 -6.466 1.00 0.00 C ATOM 583 CD1 ILE A 40 0.852 0.090 -8.145 1.00 0.00 C ATOM 0 H ILE A 40 0.262 -1.010 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 40 0.403 1.977 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.051 0.100 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.607 2.152 -7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.577 1.252 -6.510 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.810 2.214 -7.514 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.391 2.104 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.008 3.151 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.741 0.280 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.961 -0.862 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.024 0.052 -8.793 1.00 0.00 H new ATOM 595 N ILE A 41 -1.280 1.884 -2.781 1.00 0.00 N ATOM 596 CA ILE A 41 -2.339 2.020 -1.790 1.00 0.00 C ATOM 597 C ILE A 41 -3.576 2.582 -2.484 1.00 0.00 C ATOM 598 O ILE A 41 -3.529 3.673 -3.059 1.00 0.00 O ATOM 599 CB ILE A 41 -1.854 2.937 -0.654 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.755 2.219 0.154 1.00 0.00 C ATOM 601 CG2 ILE A 41 -3.028 3.301 0.264 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.260 3.201 0.740 1.00 0.00 C ATOM 0 H ILE A 41 -0.527 2.561 -2.660 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.595 1.056 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.446 3.853 -1.081 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.213 1.647 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.240 1.506 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.675 3.950 1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.794 3.820 -0.313 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.450 2.392 0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.016 2.651 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.739 3.755 -0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.250 3.898 1.405 1.00 0.00 H new ATOM 614 N LEU A 42 -4.684 1.853 -2.392 1.00 0.00 N ATOM 615 CA LEU A 42 -6.015 2.288 -2.795 1.00 0.00 C ATOM 616 C LEU A 42 -6.629 2.993 -1.591 1.00 0.00 C ATOM 617 O LEU A 42 -6.928 2.338 -0.585 1.00 0.00 O ATOM 618 CB LEU A 42 -6.899 1.088 -3.193 1.00 0.00 C ATOM 619 CG LEU A 42 -6.293 0.151 -4.253 1.00 0.00 C ATOM 620 CD1 LEU A 42 -7.156 -1.116 -4.339 1.00 0.00 C ATOM 621 CD2 LEU A 42 -6.233 0.838 -5.619 1.00 0.00 C ATOM 0 H LEU A 42 -4.677 0.904 -2.019 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.948 2.946 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.117 0.505 -2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.850 1.466 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.274 -0.107 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.739 -1.790 -5.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.170 -1.613 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.173 -0.845 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.801 0.155 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.240 1.115 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.615 1.733 -5.549 1.00 0.00 H new ATOM 633 N ALA A 43 -6.809 4.309 -1.654 1.00 0.00 N ATOM 634 CA ALA A 43 -7.522 5.042 -0.607 1.00 0.00 C ATOM 635 C ALA A 43 -8.338 6.196 -1.193 1.00 0.00 C ATOM 636 O ALA A 43 -8.178 6.584 -2.346 1.00 0.00 O ATOM 637 CB ALA A 43 -6.515 5.579 0.420 1.00 0.00 C ATOM 0 H ALA A 43 -6.471 4.892 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.215 4.357 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.046 6.125 1.200 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.971 4.746 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.811 6.248 -0.076 1.00 0.00 H new ATOM 643 N THR A 44 -9.221 6.793 -0.397 1.00 0.00 N ATOM 644 CA THR A 44 -10.036 7.912 -0.859 1.00 0.00 C ATOM 645 C THR A 44 -9.267 9.240 -0.882 1.00 0.00 C ATOM 646 O THR A 44 -9.629 10.127 -1.665 1.00 0.00 O ATOM 647 CB THR A 44 -11.300 8.019 0.006 1.00 0.00 C ATOM 648 OG1 THR A 44 -11.029 7.904 1.380 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.316 6.930 -0.314 1.00 0.00 C ATOM 0 H THR A 44 -9.390 6.520 0.571 1.00 0.00 H new ATOM 0 HA THR A 44 -10.318 7.711 -1.892 1.00 0.00 H new ATOM 0 HB THR A 44 -11.698 9.007 -0.227 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.865 7.980 1.886 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.191 7.050 0.325 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.616 7.008 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.869 5.952 -0.137 1.00 0.00 H new ATOM 657 N ARG A 45 -8.233 9.395 -0.043 1.00 0.00 N ATOM 658 CA ARG A 45 -7.620 10.685 0.268 1.00 0.00 C ATOM 659 C ARG A 45 -6.109 10.618 0.083 1.00 0.00 C ATOM 660 O ARG A 45 -5.337 10.710 1.034 1.00 0.00 O ATOM 661 CB ARG A 45 -8.050 11.147 1.671 1.00 0.00 C ATOM 662 CG ARG A 45 -9.580 11.148 1.848 1.00 0.00 C ATOM 663 CD ARG A 45 -10.013 11.889 3.115 1.00 0.00 C ATOM 664 NE ARG A 45 -9.883 13.352 2.970 1.00 0.00 N ATOM 665 CZ ARG A 45 -10.770 14.178 2.400 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.915 13.718 1.900 1.00 0.00 N ATOM 667 NH2 ARG A 45 -10.516 15.478 2.294 1.00 0.00 N ATOM 0 H ARG A 45 -7.796 8.613 0.444 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.974 11.443 -0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.601 10.493 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.666 12.151 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.045 11.614 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.940 10.120 1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -11.048 11.638 3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.408 11.553 3.957 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.033 13.776 3.341 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.128 12.722 1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -12.579 14.362 1.470 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.638 15.857 2.649 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.199 16.097 1.858 1.00 0.00 H new ATOM 681 N THR A 46 -5.687 10.453 -1.164 1.00 0.00 N ATOM 682 CA THR A 46 -4.314 10.232 -1.596 1.00 0.00 C ATOM 683 C THR A 46 -3.316 11.200 -0.965 1.00 0.00 C ATOM 684 O THR A 46 -2.251 10.782 -0.511 1.00 0.00 O ATOM 685 CB THR A 46 -4.282 10.314 -3.135 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.244 11.234 -3.637 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.609 8.940 -3.709 1.00 0.00 C ATOM 0 H THR A 46 -6.336 10.471 -1.950 1.00 0.00 H new ATOM 0 HA THR A 46 -3.998 9.245 -1.257 1.00 0.00 H new ATOM 0 HB THR A 46 -3.287 10.650 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.192 11.260 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.589 8.986 -4.798 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.871 8.216 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.601 8.634 -3.377 1.00 0.00 H new ATOM 695 N GLN A 47 -3.625 12.495 -0.920 1.00 0.00 N ATOM 696 CA GLN A 47 -2.667 13.475 -0.444 1.00 0.00 C ATOM 697 C GLN A 47 -2.444 13.363 1.067 1.00 0.00 C ATOM 698 O GLN A 47 -1.350 13.687 1.543 1.00 0.00 O ATOM 699 CB GLN A 47 -3.112 14.886 -0.842 1.00 0.00 C ATOM 700 CG GLN A 47 -1.884 15.790 -0.948 1.00 0.00 C ATOM 701 CD GLN A 47 -2.255 17.253 -0.804 1.00 0.00 C ATOM 702 OE1 GLN A 47 -2.589 17.684 0.291 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.210 18.056 -1.855 1.00 0.00 N ATOM 0 H GLN A 47 -4.525 12.882 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.708 13.270 -0.919 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.641 14.858 -1.795 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.808 15.283 -0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.164 15.519 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.396 15.631 -1.909 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.931 17.690 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.455 19.041 -1.755 1.00 0.00 H new ATOM 712 N ASN A 48 -3.443 12.902 1.825 1.00 0.00 N ATOM 713 CA ASN A 48 -3.258 12.675 3.253 1.00 0.00 C ATOM 714 C ASN A 48 -2.385 11.440 3.469 1.00 0.00 C ATOM 715 O ASN A 48 -1.468 11.489 4.289 1.00 0.00 O ATOM 716 CB ASN A 48 -4.596 12.486 3.984 1.00 0.00 C ATOM 717 CG ASN A 48 -5.162 13.784 4.517 1.00 0.00 C ATOM 718 OD1 ASN A 48 -4.760 14.250 5.580 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.083 14.412 3.812 1.00 0.00 N ATOM 0 H ASN A 48 -4.376 12.682 1.475 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.772 13.559 3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.316 12.034 3.302 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.458 11.789 4.810 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.469 15.294 4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.409 14.015 2.931 1.00 0.00 H new ATOM 726 N VAL A 49 -2.622 10.373 2.700 1.00 0.00 N ATOM 727 CA VAL A 49 -1.836 9.139 2.732 1.00 0.00 C ATOM 728 C VAL A 49 -0.368 9.479 2.459 1.00 0.00 C ATOM 729 O VAL A 49 0.523 9.052 3.190 1.00 0.00 O ATOM 730 CB VAL A 49 -2.417 8.128 1.713 1.00 0.00 C ATOM 731 CG1 VAL A 49 -1.567 6.859 1.557 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.846 7.706 2.087 1.00 0.00 C ATOM 0 H VAL A 49 -3.384 10.344 2.023 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.889 8.667 3.713 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.415 8.661 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.033 6.196 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.568 7.130 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.495 6.349 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.221 6.996 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.841 7.238 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.491 8.584 2.106 1.00 0.00 H new ATOM 742 N LEU A 50 -0.097 10.284 1.426 1.00 0.00 N ATOM 743 CA LEU A 50 1.251 10.730 1.090 1.00 0.00 C ATOM 744 C LEU A 50 1.857 11.552 2.229 1.00 0.00 C ATOM 745 O LEU A 50 3.046 11.431 2.512 1.00 0.00 O ATOM 746 CB LEU A 50 1.219 11.563 -0.200 1.00 0.00 C ATOM 747 CG LEU A 50 0.905 10.729 -1.457 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.503 11.656 -2.608 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.098 9.868 -1.865 1.00 0.00 C ATOM 0 H LEU A 50 -0.815 10.645 0.798 1.00 0.00 H new ATOM 0 HA LEU A 50 1.875 9.850 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.471 12.349 -0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.183 12.055 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 50 0.076 10.061 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.282 11.061 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.382 12.226 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.322 12.341 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.844 9.292 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.953 10.509 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.350 9.187 -1.052 1.00 0.00 H new ATOM 761 N GLY A 51 1.053 12.388 2.884 1.00 0.00 N ATOM 762 CA GLY A 51 1.497 13.318 3.909 1.00 0.00 C ATOM 763 C GLY A 51 2.245 14.494 3.282 1.00 0.00 C ATOM 764 O GLY A 51 2.465 14.561 2.074 1.00 0.00 O ATOM 0 H GLY A 51 0.049 12.435 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.638 13.685 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.146 12.804 4.618 1.00 0.00 H new ATOM 768 N GLU A 52 2.596 15.481 4.116 1.00 0.00 N ATOM 769 CA GLU A 52 3.211 16.737 3.692 1.00 0.00 C ATOM 770 C GLU A 52 4.479 16.439 2.889 1.00 0.00 C ATOM 771 O GLU A 52 5.397 15.810 3.403 1.00 0.00 O ATOM 772 CB GLU A 52 3.515 17.602 4.929 1.00 0.00 C ATOM 773 CG GLU A 52 4.007 19.008 4.571 1.00 0.00 C ATOM 774 CD GLU A 52 4.191 19.874 5.818 1.00 0.00 C ATOM 775 OE1 GLU A 52 3.256 19.999 6.641 1.00 0.00 O ATOM 776 OE2 GLU A 52 5.284 20.461 5.993 1.00 0.00 O ATOM 0 H GLU A 52 2.456 15.424 5.125 1.00 0.00 H new ATOM 0 HA GLU A 52 2.528 17.293 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.615 17.682 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.269 17.103 5.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.953 18.937 4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.293 19.484 3.899 1.00 0.00 H new ATOM 783 N LYS A 53 4.501 16.832 1.606 1.00 0.00 N ATOM 784 CA LYS A 53 5.588 16.538 0.665 1.00 0.00 C ATOM 785 C LYS A 53 6.016 15.066 0.688 1.00 0.00 C ATOM 786 O LYS A 53 7.209 14.753 0.625 1.00 0.00 O ATOM 787 CB LYS A 53 6.755 17.521 0.886 1.00 0.00 C ATOM 788 CG LYS A 53 6.305 18.964 0.614 1.00 0.00 C ATOM 789 CD LYS A 53 7.487 19.898 0.352 1.00 0.00 C ATOM 790 CE LYS A 53 6.939 21.321 0.209 1.00 0.00 C ATOM 791 NZ LYS A 53 8.002 22.340 0.261 1.00 0.00 N ATOM 0 H LYS A 53 3.746 17.375 1.187 1.00 0.00 H new ATOM 0 HA LYS A 53 5.214 16.693 -0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.121 17.435 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.585 17.263 0.228 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.636 18.978 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.735 19.332 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.204 19.846 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.016 19.600 -0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.402 21.408 -0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.218 21.511 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.581 23.286 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.499 22.277 1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.677 22.177 -0.513 1.00 0.00 H new ATOM 805 N GLY A 54 5.054 14.147 0.770 1.00 0.00 N ATOM 806 CA GLY A 54 5.314 12.717 0.709 1.00 0.00 C ATOM 807 C GLY A 54 5.878 12.154 2.012 1.00 0.00 C ATOM 808 O GLY A 54 6.362 11.027 2.012 1.00 0.00 O ATOM 0 H GLY A 54 4.067 14.380 0.881 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.388 12.196 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.016 12.516 -0.101 1.00 0.00 H new ATOM 812 N ARG A 55 5.819 12.899 3.124 1.00 0.00 N ATOM 813 CA ARG A 55 6.338 12.465 4.418 1.00 0.00 C ATOM 814 C ARG A 55 5.886 11.069 4.801 1.00 0.00 C ATOM 815 O ARG A 55 6.734 10.206 5.006 1.00 0.00 O ATOM 816 CB ARG A 55 5.979 13.481 5.515 1.00 0.00 C ATOM 817 CG ARG A 55 7.233 14.315 5.804 1.00 0.00 C ATOM 818 CD ARG A 55 7.024 15.377 6.878 1.00 0.00 C ATOM 819 NE ARG A 55 8.323 15.955 7.240 1.00 0.00 N ATOM 820 CZ ARG A 55 8.679 16.406 8.443 1.00 0.00 C ATOM 821 NH1 ARG A 55 7.772 16.663 9.379 1.00 0.00 N ATOM 822 NH2 ARG A 55 9.963 16.607 8.709 1.00 0.00 N ATOM 0 H ARG A 55 5.404 13.830 3.145 1.00 0.00 H new ATOM 0 HA ARG A 55 7.423 12.419 4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.160 14.122 5.190 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.644 12.968 6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 55 8.038 13.649 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.557 14.800 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.355 16.156 6.512 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.551 14.937 7.755 1.00 0.00 H new ATOM 0 HE ARG A 55 9.022 16.018 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.782 16.516 9.184 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.066 17.007 10.293 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.667 16.417 7.996 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.246 16.952 9.626 1.00 0.00 H new ATOM 836 N ARG A 56 4.575 10.843 4.920 1.00 0.00 N ATOM 837 CA ARG A 56 4.087 9.559 5.398 1.00 0.00 C ATOM 838 C ARG A 56 4.484 8.456 4.442 1.00 0.00 C ATOM 839 O ARG A 56 4.929 7.429 4.933 1.00 0.00 O ATOM 840 CB ARG A 56 2.575 9.541 5.655 1.00 0.00 C ATOM 841 CG ARG A 56 2.247 9.846 7.125 1.00 0.00 C ATOM 842 CD ARG A 56 1.619 11.227 7.288 1.00 0.00 C ATOM 843 NE ARG A 56 0.210 11.206 6.847 1.00 0.00 N ATOM 844 CZ ARG A 56 -0.827 10.797 7.594 1.00 0.00 C ATOM 845 NH1 ARG A 56 -0.679 10.493 8.883 1.00 0.00 N ATOM 846 NH2 ARG A 56 -2.020 10.691 7.027 1.00 0.00 N ATOM 0 H ARG A 56 3.848 11.523 4.695 1.00 0.00 H new ATOM 0 HA ARG A 56 4.560 9.386 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.088 10.275 5.013 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.171 8.565 5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 56 1.565 9.088 7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.158 9.788 7.721 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.676 11.539 8.331 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.178 11.959 6.706 1.00 0.00 H new ATOM 0 HE ARG A 56 0.009 11.528 5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 56 0.238 10.569 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.483 10.184 9.430 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.137 10.919 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.821 10.382 7.578 1.00 0.00 H new ATOM 860 N ILE A 57 4.370 8.637 3.122 1.00 0.00 N ATOM 861 CA ILE A 57 4.776 7.562 2.219 1.00 0.00 C ATOM 862 C ILE A 57 6.271 7.248 2.402 1.00 0.00 C ATOM 863 O ILE A 57 6.648 6.081 2.431 1.00 0.00 O ATOM 864 CB ILE A 57 4.314 7.812 0.767 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.529 6.564 -0.115 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.937 9.053 0.112 1.00 0.00 C ATOM 867 CD1 ILE A 57 3.453 6.461 -1.206 1.00 0.00 C ATOM 0 H ILE A 57 4.015 9.481 2.672 1.00 0.00 H new ATOM 0 HA ILE A 57 4.254 6.644 2.488 1.00 0.00 H new ATOM 0 HB ILE A 57 3.246 8.017 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.515 6.608 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.507 5.669 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.560 9.156 -0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.673 9.940 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.021 8.946 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.632 5.572 -1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.469 6.392 -0.742 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.493 7.346 -1.841 1.00 0.00 H new ATOM 879 N ARG A 58 7.135 8.252 2.602 1.00 0.00 N ATOM 880 CA ARG A 58 8.550 8.038 2.871 1.00 0.00 C ATOM 881 C ARG A 58 8.785 7.293 4.178 1.00 0.00 C ATOM 882 O ARG A 58 9.564 6.340 4.208 1.00 0.00 O ATOM 883 CB ARG A 58 9.281 9.388 2.862 1.00 0.00 C ATOM 884 CG ARG A 58 10.699 9.141 2.364 1.00 0.00 C ATOM 885 CD ARG A 58 11.475 10.440 2.142 1.00 0.00 C ATOM 886 NE ARG A 58 12.806 10.167 1.583 1.00 0.00 N ATOM 887 CZ ARG A 58 13.030 9.601 0.393 1.00 0.00 C ATOM 888 NH1 ARG A 58 12.106 9.683 -0.561 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.146 8.917 0.192 1.00 0.00 N ATOM 0 H ARG A 58 6.865 9.235 2.580 1.00 0.00 H new ATOM 0 HA ARG A 58 8.953 7.403 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.766 10.098 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.296 9.822 3.862 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.232 8.522 3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.660 8.580 1.430 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.919 11.090 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.576 10.974 3.087 1.00 0.00 H new ATOM 0 HE ARG A 58 13.617 10.428 2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.231 10.176 -0.383 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.273 9.253 -1.471 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.830 8.824 0.943 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.322 8.483 -0.714 1.00 0.00 H new ATOM 903 N GLU A 59 8.135 7.709 5.264 1.00 0.00 N ATOM 904 CA GLU A 59 8.197 7.055 6.547 1.00 0.00 C ATOM 905 C GLU A 59 7.777 5.600 6.391 1.00 0.00 C ATOM 906 O GLU A 59 8.558 4.686 6.631 1.00 0.00 O ATOM 907 CB GLU A 59 7.288 7.831 7.508 1.00 0.00 C ATOM 908 CG GLU A 59 7.910 7.956 8.884 1.00 0.00 C ATOM 909 CD GLU A 59 8.081 6.602 9.579 1.00 0.00 C ATOM 910 OE1 GLU A 59 7.070 6.075 10.104 1.00 0.00 O ATOM 911 OE2 GLU A 59 9.214 6.079 9.558 1.00 0.00 O ATOM 0 H GLU A 59 7.537 8.535 5.263 1.00 0.00 H new ATOM 0 HA GLU A 59 9.209 7.051 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.094 8.825 7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.325 7.326 7.587 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.882 8.440 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.287 8.602 9.503 1.00 0.00 H new ATOM 918 N LEU A 60 6.561 5.370 5.909 1.00 0.00 N ATOM 919 CA LEU A 60 5.972 4.056 5.823 1.00 0.00 C ATOM 920 C LEU A 60 6.718 3.171 4.837 1.00 0.00 C ATOM 921 O LEU A 60 6.741 1.965 5.058 1.00 0.00 O ATOM 922 CB LEU A 60 4.501 4.187 5.448 1.00 0.00 C ATOM 923 CG LEU A 60 3.646 4.762 6.592 1.00 0.00 C ATOM 924 CD1 LEU A 60 2.395 5.414 6.021 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.240 3.663 7.568 1.00 0.00 C ATOM 0 H LEU A 60 5.952 6.112 5.563 1.00 0.00 H new ATOM 0 HA LEU A 60 6.050 3.572 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.409 4.830 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.113 3.208 5.167 1.00 0.00 H new ATOM 0 HG LEU A 60 4.240 5.504 7.125 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.793 5.820 6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.681 6.219 5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.814 4.671 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.637 4.092 8.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.659 2.905 7.042 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.133 3.205 7.993 1.00 0.00 H new ATOM 937 N THR A 61 7.399 3.721 3.825 1.00 0.00 N ATOM 938 CA THR A 61 8.335 2.952 3.017 1.00 0.00 C ATOM 939 C THR A 61 9.424 2.357 3.911 1.00 0.00 C ATOM 940 O THR A 61 9.676 1.163 3.799 1.00 0.00 O ATOM 941 CB THR A 61 8.922 3.793 1.870 1.00 0.00 C ATOM 942 OG1 THR A 61 7.889 4.235 1.015 1.00 0.00 O ATOM 943 CG2 THR A 61 9.908 2.979 1.022 1.00 0.00 C ATOM 0 H THR A 61 7.314 4.700 3.550 1.00 0.00 H new ATOM 0 HA THR A 61 7.795 2.131 2.545 1.00 0.00 H new ATOM 0 HB THR A 61 9.441 4.636 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.223 4.730 1.536 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.303 3.605 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.729 2.633 1.650 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.394 2.120 0.591 1.00 0.00 H new ATOM 951 N ALA A 62 10.039 3.134 4.811 1.00 0.00 N ATOM 952 CA ALA A 62 11.035 2.636 5.757 1.00 0.00 C ATOM 953 C ALA A 62 10.433 1.622 6.736 1.00 0.00 C ATOM 954 O ALA A 62 11.102 0.653 7.101 1.00 0.00 O ATOM 955 CB ALA A 62 11.657 3.802 6.534 1.00 0.00 C ATOM 0 H ALA A 62 9.855 4.133 4.901 1.00 0.00 H new ATOM 0 HA ALA A 62 11.808 2.127 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.397 3.418 7.236 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.139 4.488 5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.877 4.331 7.083 1.00 0.00 H new ATOM 961 N VAL A 63 9.194 1.821 7.193 1.00 0.00 N ATOM 962 CA VAL A 63 8.510 0.860 8.058 1.00 0.00 C ATOM 963 C VAL A 63 8.352 -0.462 7.294 1.00 0.00 C ATOM 964 O VAL A 63 8.873 -1.486 7.735 1.00 0.00 O ATOM 965 CB VAL A 63 7.161 1.424 8.563 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.494 0.458 9.555 1.00 0.00 C ATOM 967 CG2 VAL A 63 7.303 2.782 9.266 1.00 0.00 C ATOM 0 H VAL A 63 8.640 2.649 6.974 1.00 0.00 H new ATOM 0 HA VAL A 63 9.105 0.672 8.952 1.00 0.00 H new ATOM 0 HB VAL A 63 6.550 1.549 7.669 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.548 0.880 9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.310 -0.498 9.064 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.150 0.306 10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.323 3.125 9.597 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.961 2.678 10.128 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.726 3.508 8.572 1.00 0.00 H new ATOM 977 N VAL A 64 7.674 -0.433 6.140 1.00 0.00 N ATOM 978 CA VAL A 64 7.436 -1.563 5.247 1.00 0.00 C ATOM 979 C VAL A 64 8.747 -2.255 4.916 1.00 0.00 C ATOM 980 O VAL A 64 8.812 -3.479 4.981 1.00 0.00 O ATOM 981 CB VAL A 64 6.688 -1.073 3.982 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.831 -2.003 2.765 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.198 -0.879 4.314 1.00 0.00 C ATOM 0 H VAL A 64 7.256 0.429 5.789 1.00 0.00 H new ATOM 0 HA VAL A 64 6.804 -2.302 5.739 1.00 0.00 H new ATOM 0 HB VAL A 64 7.154 -0.130 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.278 -1.588 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.884 -2.094 2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.433 -2.987 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.669 -0.534 3.425 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.773 -1.827 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.095 -0.139 5.107 1.00 0.00 H new ATOM 993 N GLN A 65 9.785 -1.492 4.584 1.00 0.00 N ATOM 994 CA GLN A 65 11.071 -2.021 4.189 1.00 0.00 C ATOM 995 C GLN A 65 11.588 -3.012 5.225 1.00 0.00 C ATOM 996 O GLN A 65 11.982 -4.115 4.857 1.00 0.00 O ATOM 997 CB GLN A 65 12.072 -0.888 3.967 1.00 0.00 C ATOM 998 CG GLN A 65 12.368 -0.687 2.484 1.00 0.00 C ATOM 999 CD GLN A 65 13.516 0.302 2.289 1.00 0.00 C ATOM 1000 OE1 GLN A 65 14.378 0.497 3.146 1.00 0.00 O ATOM 1001 NE2 GLN A 65 13.543 0.962 1.153 1.00 0.00 N ATOM 0 H GLN A 65 9.747 -0.473 4.584 1.00 0.00 H new ATOM 0 HA GLN A 65 10.949 -2.554 3.246 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.677 0.036 4.389 1.00 0.00 H new ATOM 0 HB3 GLN A 65 12.998 -1.110 4.497 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.624 -1.643 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.476 -0.320 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.825 0.794 0.448 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.282 1.642 0.976 1.00 0.00 H new ATOM 1010 N LYS A 66 11.577 -2.644 6.512 1.00 0.00 N ATOM 1011 CA LYS A 66 12.010 -3.550 7.561 1.00 0.00 C ATOM 1012 C LYS A 66 10.963 -4.634 7.768 1.00 0.00 C ATOM 1013 O LYS A 66 11.314 -5.811 7.770 1.00 0.00 O ATOM 1014 CB LYS A 66 12.308 -2.766 8.846 1.00 0.00 C ATOM 1015 CG LYS A 66 13.753 -2.238 8.880 1.00 0.00 C ATOM 1016 CD LYS A 66 14.102 -1.102 7.907 1.00 0.00 C ATOM 1017 CE LYS A 66 14.690 -1.642 6.599 1.00 0.00 C ATOM 1018 NZ LYS A 66 15.173 -0.557 5.721 1.00 0.00 N ATOM 0 H LYS A 66 11.273 -1.728 6.842 1.00 0.00 H new ATOM 0 HA LYS A 66 12.936 -4.044 7.267 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.615 -1.929 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 66 12.137 -3.408 9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.965 -1.894 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 66 14.424 -3.073 8.680 1.00 0.00 H new ATOM 0 HD2 LYS A 66 13.207 -0.519 7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.817 -0.426 8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.513 -2.320 6.824 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.933 -2.224 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.915 -0.767 4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.737 0.342 6.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.207 -0.482 5.799 1.00 0.00 H new ATOM 1032 N ARG A 67 9.682 -4.280 7.904 1.00 0.00 N ATOM 1033 CA ARG A 67 8.612 -5.232 8.222 1.00 0.00 C ATOM 1034 C ARG A 67 8.591 -6.410 7.255 1.00 0.00 C ATOM 1035 O ARG A 67 8.424 -7.553 7.677 1.00 0.00 O ATOM 1036 CB ARG A 67 7.258 -4.499 8.223 1.00 0.00 C ATOM 1037 CG ARG A 67 6.300 -5.000 9.314 1.00 0.00 C ATOM 1038 CD ARG A 67 5.445 -6.213 8.896 1.00 0.00 C ATOM 1039 NE ARG A 67 5.115 -7.134 10.009 1.00 0.00 N ATOM 1040 CZ ARG A 67 4.683 -6.846 11.247 1.00 0.00 C ATOM 1041 NH1 ARG A 67 4.439 -5.590 11.594 1.00 0.00 N ATOM 1042 NH2 ARG A 67 4.508 -7.807 12.153 1.00 0.00 N ATOM 0 H ARG A 67 9.355 -3.320 7.796 1.00 0.00 H new ATOM 0 HA ARG A 67 8.803 -5.642 9.214 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.430 -3.432 8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.785 -4.622 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.881 -5.266 10.197 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.637 -4.184 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.518 -5.854 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.976 -6.769 8.124 1.00 0.00 H new ATOM 0 HE ARG A 67 5.233 -8.127 9.806 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.579 -4.838 10.919 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.111 -5.376 12.536 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.703 -8.778 11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.179 -7.571 13.089 1.00 0.00 H new ATOM 1056 N PHE A 68 8.797 -6.138 5.972 1.00 0.00 N ATOM 1057 CA PHE A 68 8.721 -7.088 4.872 1.00 0.00 C ATOM 1058 C PHE A 68 10.120 -7.409 4.315 1.00 0.00 C ATOM 1059 O PHE A 68 10.227 -8.105 3.308 1.00 0.00 O ATOM 1060 CB PHE A 68 7.744 -6.515 3.829 1.00 0.00 C ATOM 1061 CG PHE A 68 6.316 -6.410 4.333 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.454 -7.512 4.203 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.839 -5.232 4.939 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.125 -7.429 4.653 1.00 0.00 C ATOM 1065 CE2 PHE A 68 4.525 -5.169 5.437 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.668 -6.270 5.304 1.00 0.00 C ATOM 0 H PHE A 68 9.034 -5.198 5.656 1.00 0.00 H new ATOM 0 HA PHE A 68 8.336 -8.051 5.206 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.088 -5.526 3.525 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.762 -7.146 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.814 -8.427 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.486 -4.371 5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.452 -8.259 4.498 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.176 -4.270 5.923 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.664 -6.228 5.699 1.00 0.00 H new ATOM 1076 N GLY A 69 11.194 -6.949 4.973 1.00 0.00 N ATOM 1077 CA GLY A 69 12.584 -7.285 4.669 1.00 0.00 C ATOM 1078 C GLY A 69 12.994 -6.961 3.234 1.00 0.00 C ATOM 1079 O GLY A 69 13.785 -7.694 2.636 1.00 0.00 O ATOM 0 H GLY A 69 11.110 -6.308 5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.237 -6.746 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.740 -8.348 4.851 1.00 0.00 H new ATOM 1083 N PHE A 70 12.435 -5.900 2.657 1.00 0.00 N ATOM 1084 CA PHE A 70 12.589 -5.570 1.247 1.00 0.00 C ATOM 1085 C PHE A 70 13.992 -5.051 0.922 1.00 0.00 C ATOM 1086 O PHE A 70 14.607 -4.403 1.772 1.00 0.00 O ATOM 1087 CB PHE A 70 11.557 -4.506 0.864 1.00 0.00 C ATOM 1088 CG PHE A 70 10.202 -5.054 0.475 1.00 0.00 C ATOM 1089 CD1 PHE A 70 10.101 -5.999 -0.563 1.00 0.00 C ATOM 1090 CD2 PHE A 70 9.040 -4.610 1.130 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.844 -6.467 -0.974 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.779 -5.087 0.730 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.685 -6.005 -0.333 1.00 0.00 C ATOM 0 H PHE A 70 11.853 -5.236 3.167 1.00 0.00 H new ATOM 0 HA PHE A 70 12.434 -6.484 0.674 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.430 -3.823 1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.950 -3.920 0.033 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.995 -6.366 -1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.116 -3.902 1.942 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.769 -7.181 -1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.886 -4.750 1.236 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.716 -6.355 -0.657 1.00 0.00 H new ATOM 1103 N PRO A 71 14.482 -5.252 -0.317 1.00 0.00 N ATOM 1104 CA PRO A 71 15.649 -4.550 -0.814 1.00 0.00 C ATOM 1105 C PRO A 71 15.303 -3.070 -1.009 1.00 0.00 C ATOM 1106 O PRO A 71 14.408 -2.721 -1.786 1.00 0.00 O ATOM 1107 CB PRO A 71 16.049 -5.239 -2.123 1.00 0.00 C ATOM 1108 CG PRO A 71 14.894 -6.176 -2.484 1.00 0.00 C ATOM 1109 CD PRO A 71 13.827 -5.939 -1.421 1.00 0.00 C ATOM 0 HA PRO A 71 16.487 -4.585 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.217 -4.507 -2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.978 -5.796 -2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.510 -5.959 -3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 71 15.220 -7.216 -2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 71 13.010 -5.338 -1.820 1.00 0.00 H new ATOM 0 HD3 PRO A 71 13.396 -6.883 -1.088 1.00 0.00 H new ATOM 1117 N GLU A 72 16.014 -2.197 -0.300 1.00 0.00 N ATOM 1118 CA GLU A 72 16.020 -0.764 -0.553 1.00 0.00 C ATOM 1119 C GLU A 72 16.453 -0.514 -2.002 1.00 0.00 C ATOM 1120 O GLU A 72 17.353 -1.178 -2.525 1.00 0.00 O ATOM 1121 CB GLU A 72 16.894 -0.020 0.476 1.00 0.00 C ATOM 1122 CG GLU A 72 18.243 -0.694 0.753 1.00 0.00 C ATOM 1123 CD GLU A 72 19.159 0.153 1.632 1.00 0.00 C ATOM 1124 OE1 GLU A 72 19.890 1.014 1.097 1.00 0.00 O ATOM 1125 OE2 GLU A 72 19.187 -0.035 2.872 1.00 0.00 O ATOM 0 H GLU A 72 16.611 -2.473 0.479 1.00 0.00 H new ATOM 0 HA GLU A 72 15.015 -0.361 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.073 0.994 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.343 0.064 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.071 -1.656 1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.743 -0.898 -0.194 1.00 0.00 H new ATOM 1132 N GLY A 73 15.762 0.406 -2.671 1.00 0.00 N ATOM 1133 CA GLY A 73 15.872 0.683 -4.097 1.00 0.00 C ATOM 1134 C GLY A 73 14.946 -0.182 -4.950 1.00 0.00 C ATOM 1135 O GLY A 73 14.720 0.162 -6.112 1.00 0.00 O ATOM 0 H GLY A 73 15.078 1.006 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.644 1.734 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 73 16.903 0.523 -4.414 1.00 0.00 H new ATOM 1139 N SER A 74 14.390 -1.269 -4.407 1.00 0.00 N ATOM 1140 CA SER A 74 13.626 -2.255 -5.163 1.00 0.00 C ATOM 1141 C SER A 74 12.308 -2.643 -4.481 1.00 0.00 C ATOM 1142 O SER A 74 11.675 -3.639 -4.847 1.00 0.00 O ATOM 1143 CB SER A 74 14.511 -3.463 -5.438 1.00 0.00 C ATOM 1144 OG SER A 74 15.644 -3.094 -6.205 1.00 0.00 O ATOM 0 H SER A 74 14.462 -1.488 -3.413 1.00 0.00 H new ATOM 0 HA SER A 74 13.328 -1.806 -6.111 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.833 -3.905 -4.495 1.00 0.00 H new ATOM 0 HB3 SER A 74 13.940 -4.225 -5.969 1.00 0.00 H new ATOM 0 HG SER A 74 16.200 -3.884 -6.369 1.00 0.00 H new ATOM 1150 N VAL A 75 11.845 -1.828 -3.539 1.00 0.00 N ATOM 1151 CA VAL A 75 10.431 -1.695 -3.233 1.00 0.00 C ATOM 1152 C VAL A 75 10.092 -0.232 -3.495 1.00 0.00 C ATOM 1153 O VAL A 75 10.889 0.649 -3.160 1.00 0.00 O ATOM 1154 CB VAL A 75 10.116 -2.191 -1.805 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.789 -1.378 -0.683 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.600 -2.235 -1.582 1.00 0.00 C ATOM 0 H VAL A 75 12.447 -1.238 -2.964 1.00 0.00 H new ATOM 0 HA VAL A 75 9.800 -2.326 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 75 10.541 -3.193 -1.743 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.513 -1.796 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.872 -1.421 -0.801 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.459 -0.340 -0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.391 -2.586 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.184 -1.236 -1.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.146 -2.914 -2.303 1.00 0.00 H new ATOM 1166 N GLU A 76 8.932 0.031 -4.086 1.00 0.00 N ATOM 1167 CA GLU A 76 8.389 1.370 -4.221 1.00 0.00 C ATOM 1168 C GLU A 76 6.962 1.349 -3.696 1.00 0.00 C ATOM 1169 O GLU A 76 6.259 0.351 -3.873 1.00 0.00 O ATOM 1170 CB GLU A 76 8.394 1.817 -5.688 1.00 0.00 C ATOM 1171 CG GLU A 76 8.846 3.278 -5.799 1.00 0.00 C ATOM 1172 CD GLU A 76 10.361 3.424 -5.939 1.00 0.00 C ATOM 1173 OE1 GLU A 76 10.846 3.160 -7.067 1.00 0.00 O ATOM 1174 OE2 GLU A 76 11.034 3.842 -4.967 1.00 0.00 O ATOM 0 H GLU A 76 8.337 -0.693 -4.489 1.00 0.00 H new ATOM 0 HA GLU A 76 9.001 2.073 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.061 1.178 -6.267 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.396 1.705 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.361 3.739 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.514 3.824 -4.916 1.00 0.00 H new ATOM 1181 N LEU A 77 6.534 2.443 -3.070 1.00 0.00 N ATOM 1182 CA LEU A 77 5.164 2.649 -2.630 1.00 0.00 C ATOM 1183 C LEU A 77 4.609 3.812 -3.445 1.00 0.00 C ATOM 1184 O LEU A 77 5.308 4.805 -3.672 1.00 0.00 O ATOM 1185 CB LEU A 77 5.080 2.945 -1.117 1.00 0.00 C ATOM 1186 CG LEU A 77 5.231 1.734 -0.171 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.632 1.111 -0.193 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.906 2.159 1.267 1.00 0.00 C ATOM 0 H LEU A 77 7.148 3.227 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 77 4.580 1.743 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.853 3.672 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.120 3.419 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 77 4.533 0.977 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.665 0.266 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.862 0.767 -1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.366 1.856 0.112 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.013 1.303 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.592 2.948 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.882 2.529 1.314 1.00 0.00 H new ATOM 1200 N TYR A 78 3.348 3.702 -3.839 1.00 0.00 N ATOM 1201 CA TYR A 78 2.542 4.679 -4.539 1.00 0.00 C ATOM 1202 C TYR A 78 1.189 4.808 -3.827 1.00 0.00 C ATOM 1203 O TYR A 78 0.827 3.978 -2.986 1.00 0.00 O ATOM 1204 CB TYR A 78 2.353 4.185 -5.974 1.00 0.00 C ATOM 1205 CG TYR A 78 3.642 3.908 -6.728 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.326 5.003 -7.276 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.172 2.604 -6.878 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.503 4.803 -8.003 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.336 2.397 -7.638 1.00 0.00 C ATOM 1210 CZ TYR A 78 5.999 3.502 -8.229 1.00 0.00 C ATOM 1211 OH TYR A 78 7.123 3.374 -8.995 1.00 0.00 O ATOM 0 H TYR A 78 2.821 2.848 -3.658 1.00 0.00 H new ATOM 0 HA TYR A 78 3.022 5.658 -4.549 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.757 3.272 -5.954 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.778 4.928 -6.526 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.942 6.003 -7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.680 1.766 -6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.039 5.654 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.725 1.398 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 78 7.360 2.426 -9.072 1.00 0.00 H new ATOM 1221 N ALA A 79 0.417 5.837 -4.178 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.883 6.127 -3.587 1.00 0.00 C ATOM 1223 C ALA A 79 -1.840 6.514 -4.711 1.00 0.00 C ATOM 1224 O ALA A 79 -1.581 7.502 -5.406 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.732 7.254 -2.554 1.00 0.00 C ATOM 0 H ALA A 79 0.688 6.506 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.284 5.256 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.703 7.473 -2.110 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.038 6.942 -1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.347 8.148 -3.045 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.921 5.755 -4.883 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.959 5.981 -5.876 1.00 0.00 C ATOM 1233 C GLU A 80 -5.332 6.155 -5.234 1.00 0.00 C ATOM 1234 O GLU A 80 -5.504 5.956 -4.026 1.00 0.00 O ATOM 1235 CB GLU A 80 -4.017 4.821 -6.877 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.024 5.411 -8.289 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.418 4.409 -9.363 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -3.548 3.637 -9.813 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -5.598 4.463 -9.791 1.00 0.00 O ATOM 0 H GLU A 80 -3.101 4.932 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.700 6.903 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.160 4.161 -6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.911 4.220 -6.711 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.715 6.254 -8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.033 5.803 -8.515 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.313 6.536 -6.058 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.577 7.051 -5.575 1.00 0.00 C ATOM 1248 C LYS A 81 -8.743 6.151 -5.925 1.00 0.00 C ATOM 1249 O LYS A 81 -8.904 5.738 -7.080 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.802 8.455 -6.107 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.129 9.378 -4.938 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.840 10.582 -5.514 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.601 11.821 -4.660 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.827 13.046 -5.447 1.00 0.00 N ATOM 0 H LYS A 81 -6.244 6.492 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.523 7.081 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.912 8.808 -6.629 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.618 8.458 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.760 8.869 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.220 9.679 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.489 10.764 -6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.909 10.381 -5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.267 11.809 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.581 11.813 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.659 13.879 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.174 13.064 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -9.808 13.060 -5.793 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.560 5.875 -4.918 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.662 4.929 -5.018 1.00 0.00 C ATOM 1270 C VAL A 82 -11.778 5.626 -5.763 1.00 0.00 C ATOM 1271 O VAL A 82 -12.009 6.829 -5.591 1.00 0.00 O ATOM 1272 CB VAL A 82 -11.094 4.460 -3.616 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.327 3.544 -3.574 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.956 3.704 -2.919 1.00 0.00 C ATOM 0 H VAL A 82 -9.475 6.307 -3.998 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.370 4.030 -5.560 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.355 5.389 -3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.544 3.273 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.183 4.067 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.129 2.641 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.284 3.383 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.682 2.831 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.091 4.360 -2.818 1.00 0.00 H new