USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 62 SER OG : rot -44:sc= 0.136 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.05) USER MOD Set 2.1: A 26 GLN : amide:sc= 1.26 K(o=1.9,f=-3.1) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -167:sc= 0.644 (180deg=-0.0987) USER MOD Set 3.1: A 48 GLN : amide:sc= -0.12 X(o=0.0018,f=0.0016) USER MOD Set 3.2: A 49 SER OG : rot 85:sc= 0.122 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 1.3 (180deg=0.906) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 88:sc= 1.26 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 75:sc= 0.442 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -60:sc= 0.0265 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 61 GLN : amide:sc= 0.797 K(o=0.8,f=-0.62) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot -58:sc= 0.237 USER MOD ----------------------------------------------------------------- ATOM 58 N TRP A 5 -6.861 8.277 8.092 1.00 10.00 N ATOM 59 CA TRP A 5 -6.646 7.633 6.793 1.00 10.00 C ATOM 60 C TRP A 5 -5.404 8.129 6.031 1.00 10.00 C ATOM 61 O TRP A 5 -5.323 7.949 4.818 1.00 10.00 O ATOM 62 CB TRP A 5 -7.928 7.792 5.963 1.00 10.00 C ATOM 63 CG TRP A 5 -9.226 7.442 6.628 1.00 10.00 C ATOM 64 CD1 TRP A 5 -9.752 6.201 6.744 1.00 10.00 C ATOM 65 CD2 TRP A 5 -10.167 8.340 7.295 1.00 10.00 C ATOM 66 NE1 TRP A 5 -10.945 6.267 7.439 1.00 10.00 N ATOM 67 CE2 TRP A 5 -11.246 7.560 7.812 1.00 10.00 C ATOM 68 CE3 TRP A 5 -10.210 9.734 7.531 1.00 10.00 C ATOM 69 CZ2 TRP A 5 -12.309 8.132 8.529 1.00 10.00 C ATOM 70 CZ3 TRP A 5 -11.274 10.317 8.248 1.00 10.00 C ATOM 71 CH2 TRP A 5 -12.320 9.521 8.747 1.00 10.00 C ATOM 0 HA TRP A 5 -6.433 6.580 6.975 1.00 10.00 H new ATOM 0 HB2 TRP A 5 -7.988 8.828 5.630 1.00 10.00 H new ATOM 0 HB3 TRP A 5 -7.830 7.176 5.069 1.00 10.00 H new ATOM 0 HD1 TRP A 5 -9.308 5.297 6.353 1.00 10.00 H new ATOM 0 HE1 TRP A 5 -11.531 5.459 7.650 1.00 10.00 H new ATOM 0 HE3 TRP A 5 -9.415 10.361 7.156 1.00 10.00 H new ATOM 0 HZ2 TRP A 5 -13.108 7.513 8.908 1.00 10.00 H new ATOM 0 HZ3 TRP A 5 -11.286 11.384 8.416 1.00 10.00 H new ATOM 0 HH2 TRP A 5 -13.131 9.976 9.297 1.00 10.00 H new ATOM 82 N SER A 6 -4.425 8.737 6.706 1.00 10.00 N ATOM 83 CA SER A 6 -3.236 9.355 6.081 1.00 10.00 C ATOM 84 C SER A 6 -2.440 8.463 5.108 1.00 10.00 C ATOM 85 O SER A 6 -1.807 8.974 4.182 1.00 10.00 O ATOM 86 CB SER A 6 -2.283 9.869 7.165 1.00 10.00 C ATOM 87 OG SER A 6 -1.749 8.778 7.902 1.00 10.00 O ATOM 0 H SER A 6 -4.430 8.819 7.723 1.00 10.00 H new ATOM 0 HA SER A 6 -3.644 10.162 5.472 1.00 10.00 H new ATOM 0 HB2 SER A 6 -1.475 10.440 6.709 1.00 10.00 H new ATOM 0 HB3 SER A 6 -2.813 10.546 7.835 1.00 10.00 H new ATOM 0 HG SER A 6 -1.140 9.116 8.591 1.00 10.00 H new ATOM 93 N GLY A 7 -2.500 7.135 5.264 1.00 10.00 N ATOM 94 CA GLY A 7 -1.853 6.148 4.385 1.00 10.00 C ATOM 95 C GLY A 7 -2.681 5.725 3.158 1.00 10.00 C ATOM 96 O GLY A 7 -2.282 4.799 2.449 1.00 10.00 O ATOM 0 H GLY A 7 -3.016 6.702 6.030 1.00 10.00 H new ATOM 0 HA2 GLY A 7 -0.904 6.559 4.040 1.00 10.00 H new ATOM 0 HA3 GLY A 7 -1.621 5.259 4.971 1.00 10.00 H new ATOM 100 N TYR A 8 -3.830 6.366 2.912 1.00 10.00 N ATOM 101 CA TYR A 8 -4.804 6.010 1.883 1.00 10.00 C ATOM 102 C TYR A 8 -5.503 7.235 1.263 1.00 10.00 C ATOM 103 O TYR A 8 -5.447 7.466 0.054 1.00 10.00 O ATOM 104 CB TYR A 8 -5.838 5.063 2.523 1.00 10.00 C ATOM 105 CG TYR A 8 -6.753 4.379 1.525 1.00 10.00 C ATOM 106 CD1 TYR A 8 -6.311 3.229 0.842 1.00 10.00 C ATOM 107 CD2 TYR A 8 -8.043 4.891 1.277 1.00 10.00 C ATOM 108 CE1 TYR A 8 -7.157 2.587 -0.083 1.00 10.00 C ATOM 109 CE2 TYR A 8 -8.892 4.253 0.352 1.00 10.00 C ATOM 110 CZ TYR A 8 -8.451 3.096 -0.331 1.00 10.00 C ATOM 111 OH TYR A 8 -9.264 2.468 -1.224 1.00 10.00 O ATOM 0 H TYR A 8 -4.115 7.183 3.451 1.00 10.00 H new ATOM 0 HA TYR A 8 -4.279 5.524 1.061 1.00 10.00 H new ATOM 0 HB2 TYR A 8 -5.311 4.301 3.097 1.00 10.00 H new ATOM 0 HB3 TYR A 8 -6.446 5.630 3.228 1.00 10.00 H new ATOM 0 HD1 TYR A 8 -5.321 2.839 1.028 1.00 10.00 H new ATOM 0 HD2 TYR A 8 -8.381 5.775 1.798 1.00 10.00 H new ATOM 0 HE1 TYR A 8 -6.816 1.704 -0.603 1.00 10.00 H new ATOM 0 HE2 TYR A 8 -9.880 4.647 0.164 1.00 10.00 H new ATOM 0 HH TYR A 8 -10.119 2.943 -1.278 1.00 10.00 H new ATOM 121 N LEU A 9 -6.126 8.049 2.116 1.00 10.00 N ATOM 122 CA LEU A 9 -6.888 9.259 1.795 1.00 10.00 C ATOM 123 C LEU A 9 -6.018 10.379 1.216 1.00 10.00 C ATOM 124 O LEU A 9 -6.478 11.144 0.372 1.00 10.00 O ATOM 125 CB LEU A 9 -7.580 9.661 3.112 1.00 10.00 C ATOM 126 CG LEU A 9 -8.392 10.956 3.233 1.00 10.00 C ATOM 127 CD1 LEU A 9 -7.512 12.202 3.351 1.00 10.00 C ATOM 128 CD2 LEU A 9 -9.454 11.075 2.144 1.00 10.00 C ATOM 0 H LEU A 9 -6.111 7.869 3.120 1.00 10.00 H new ATOM 0 HA LEU A 9 -7.614 9.070 1.004 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -8.249 8.843 3.380 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -6.804 9.702 3.877 1.00 10.00 H new ATOM 0 HG LEU A 9 -8.932 10.893 4.178 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -8.143 13.087 3.434 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -6.883 12.121 4.238 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -6.882 12.287 2.466 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -10.003 12.008 2.271 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -8.974 11.067 1.165 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -10.145 10.235 2.216 1.00 10.00 H new ATOM 140 N ASP A 10 -4.755 10.466 1.631 1.00 10.00 N ATOM 141 CA ASP A 10 -3.826 11.541 1.247 1.00 10.00 C ATOM 142 C ASP A 10 -3.423 11.534 -0.251 1.00 10.00 C ATOM 143 O ASP A 10 -2.742 12.446 -0.717 1.00 10.00 O ATOM 144 CB ASP A 10 -2.593 11.458 2.161 1.00 10.00 C ATOM 145 CG ASP A 10 -1.683 12.697 2.075 1.00 10.00 C ATOM 146 OD1 ASP A 10 -2.152 13.816 2.397 1.00 10.00 O ATOM 147 OD2 ASP A 10 -0.481 12.551 1.744 1.00 10.00 O ATOM 0 H ASP A 10 -4.335 9.779 2.257 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.344 12.491 1.380 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.922 11.329 3.192 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -2.014 10.572 1.898 1.00 10.00 H new ATOM 152 N ASP A 11 -3.878 10.541 -1.024 1.00 10.00 N ATOM 153 CA ASP A 11 -3.763 10.466 -2.493 1.00 10.00 C ATOM 154 C ASP A 11 -5.141 10.352 -3.191 1.00 10.00 C ATOM 155 O ASP A 11 -5.240 10.073 -4.387 1.00 10.00 O ATOM 156 CB ASP A 11 -2.823 9.306 -2.849 1.00 10.00 C ATOM 157 CG ASP A 11 -2.418 9.290 -4.335 1.00 10.00 C ATOM 158 OD1 ASP A 11 -2.129 10.369 -4.910 1.00 10.00 O ATOM 159 OD2 ASP A 11 -2.388 8.194 -4.945 1.00 10.00 O ATOM 0 H ASP A 11 -4.357 9.731 -0.630 1.00 10.00 H new ATOM 0 HA ASP A 11 -3.338 11.397 -2.868 1.00 10.00 H new ATOM 0 HB2 ASP A 11 -1.925 9.372 -2.235 1.00 10.00 H new ATOM 0 HB3 ASP A 11 -3.310 8.363 -2.601 1.00 10.00 H new ATOM 164 N VAL A 12 -6.214 10.605 -2.438 1.00 10.00 N ATOM 165 CA VAL A 12 -7.611 10.682 -2.866 1.00 10.00 C ATOM 166 C VAL A 12 -8.155 12.090 -2.668 1.00 10.00 C ATOM 167 O VAL A 12 -8.522 12.747 -3.635 1.00 10.00 O ATOM 168 CB VAL A 12 -8.461 9.642 -2.108 1.00 10.00 C ATOM 169 CG1 VAL A 12 -9.964 9.800 -2.367 1.00 10.00 C ATOM 170 CG2 VAL A 12 -8.019 8.224 -2.474 1.00 10.00 C ATOM 0 H VAL A 12 -6.120 10.774 -1.436 1.00 10.00 H new ATOM 0 HA VAL A 12 -7.665 10.452 -3.930 1.00 10.00 H new ATOM 0 HB VAL A 12 -8.295 9.819 -1.045 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -10.511 9.041 -1.808 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -10.286 10.791 -2.046 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -10.164 9.681 -3.432 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -8.628 7.501 -1.931 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -8.142 8.070 -3.546 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -6.971 8.089 -2.206 1.00 10.00 H new ATOM 180 N SER A 13 -8.138 12.601 -1.439 1.00 10.00 N ATOM 181 CA SER A 13 -8.534 13.974 -1.116 1.00 10.00 C ATOM 182 C SER A 13 -7.608 15.010 -1.759 1.00 10.00 C ATOM 183 O SER A 13 -8.050 16.075 -2.194 1.00 10.00 O ATOM 184 CB SER A 13 -8.577 14.144 0.399 1.00 10.00 C ATOM 185 OG SER A 13 -9.128 15.401 0.750 1.00 10.00 O ATOM 0 H SER A 13 -7.844 12.064 -0.623 1.00 10.00 H new ATOM 0 HA SER A 13 -9.527 14.149 -1.530 1.00 10.00 H new ATOM 0 HB2 SER A 13 -9.172 13.345 0.842 1.00 10.00 H new ATOM 0 HB3 SER A 13 -7.570 14.056 0.808 1.00 10.00 H new ATOM 0 HG SER A 13 -9.148 15.489 1.726 1.00 10.00 H new ATOM 191 N ALA A 14 -6.327 14.667 -1.920 1.00 10.00 N ATOM 192 CA ALA A 14 -5.349 15.548 -2.540 1.00 10.00 C ATOM 193 C ALA A 14 -5.660 15.896 -4.016 1.00 10.00 C ATOM 194 O ALA A 14 -5.269 16.968 -4.483 1.00 10.00 O ATOM 195 CB ALA A 14 -3.951 14.963 -2.378 1.00 10.00 C ATOM 0 H ALA A 14 -5.944 13.770 -1.622 1.00 10.00 H new ATOM 0 HA ALA A 14 -5.404 16.502 -2.015 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -3.223 15.627 -2.844 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -3.721 14.859 -1.318 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -3.908 13.984 -2.856 1.00 10.00 H new ATOM 201 N LYS A 15 -6.408 15.041 -4.740 1.00 10.00 N ATOM 202 CA LYS A 15 -6.939 15.330 -6.085 1.00 10.00 C ATOM 203 C LYS A 15 -7.889 16.530 -6.123 1.00 10.00 C ATOM 204 O LYS A 15 -8.038 17.156 -7.172 1.00 10.00 O ATOM 205 CB LYS A 15 -7.665 14.105 -6.682 1.00 10.00 C ATOM 206 CG LYS A 15 -6.772 13.246 -7.577 1.00 10.00 C ATOM 207 CD LYS A 15 -5.728 12.443 -6.785 1.00 10.00 C ATOM 208 CE LYS A 15 -4.993 11.462 -7.707 1.00 10.00 C ATOM 209 NZ LYS A 15 -4.140 10.524 -6.935 1.00 10.00 N ATOM 0 H LYS A 15 -6.664 14.114 -4.400 1.00 10.00 H new ATOM 0 HA LYS A 15 -6.063 15.576 -6.685 1.00 10.00 H new ATOM 0 HB2 LYS A 15 -8.052 13.490 -5.870 1.00 10.00 H new ATOM 0 HB3 LYS A 15 -8.524 14.447 -7.259 1.00 10.00 H new ATOM 0 HG2 LYS A 15 -7.394 12.558 -8.150 1.00 10.00 H new ATOM 0 HG3 LYS A 15 -6.261 13.887 -8.295 1.00 10.00 H new ATOM 0 HD2 LYS A 15 -5.012 13.122 -6.322 1.00 10.00 H new ATOM 0 HD3 LYS A 15 -6.216 11.897 -5.978 1.00 10.00 H new ATOM 0 HE2 LYS A 15 -5.719 10.897 -8.292 1.00 10.00 H new ATOM 0 HE3 LYS A 15 -4.377 12.018 -8.414 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 -3.960 9.671 -7.503 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 -3.236 10.985 -6.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 -4.626 10.257 -6.055 1.00 10.00 H new ATOM 223 N PHE A 16 -8.541 16.836 -5.004 1.00 10.00 N ATOM 224 CA PHE A 16 -9.495 17.923 -4.871 1.00 10.00 C ATOM 225 C PHE A 16 -8.862 19.190 -4.267 1.00 10.00 C ATOM 226 O PHE A 16 -9.216 20.297 -4.657 1.00 10.00 O ATOM 227 CB PHE A 16 -10.647 17.490 -3.943 1.00 10.00 C ATOM 228 CG PHE A 16 -11.426 16.236 -4.303 1.00 10.00 C ATOM 229 CD1 PHE A 16 -10.904 14.966 -3.995 1.00 10.00 C ATOM 230 CD2 PHE A 16 -12.723 16.332 -4.836 1.00 10.00 C ATOM 231 CE1 PHE A 16 -11.665 13.805 -4.214 1.00 10.00 C ATOM 232 CE2 PHE A 16 -13.493 15.174 -5.039 1.00 10.00 C ATOM 233 CZ PHE A 16 -12.966 13.910 -4.731 1.00 10.00 C ATOM 0 H PHE A 16 -8.412 16.313 -4.138 1.00 10.00 H new ATOM 0 HA PHE A 16 -9.852 18.153 -5.875 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -10.235 17.351 -2.944 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.355 18.316 -3.883 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -9.908 14.883 -3.586 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.130 17.300 -5.091 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -11.250 12.835 -3.985 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -14.495 15.257 -5.434 1.00 10.00 H new ATOM 0 HZ PHE A 16 -13.559 13.022 -4.891 1.00 10.00 H new ATOM 243 N ASP A 17 -7.910 19.018 -3.344 1.00 10.00 N ATOM 244 CA ASP A 17 -7.307 20.014 -2.442 1.00 10.00 C ATOM 245 C ASP A 17 -7.332 21.493 -2.863 1.00 10.00 C ATOM 246 O ASP A 17 -7.912 22.326 -2.167 1.00 10.00 O ATOM 247 CB ASP A 17 -5.890 19.557 -2.068 1.00 10.00 C ATOM 248 CG ASP A 17 -5.240 20.490 -1.032 1.00 10.00 C ATOM 249 OD1 ASP A 17 -5.571 20.380 0.172 1.00 10.00 O ATOM 250 OD2 ASP A 17 -4.391 21.326 -1.420 1.00 10.00 O ATOM 0 H ASP A 17 -7.503 18.095 -3.193 1.00 10.00 H new ATOM 0 HA ASP A 17 -7.974 20.030 -1.580 1.00 10.00 H new ATOM 0 HB2 ASP A 17 -5.929 18.543 -1.669 1.00 10.00 H new ATOM 0 HB3 ASP A 17 -5.271 19.523 -2.965 1.00 10.00 H new ATOM 255 N THR A 18 -6.713 21.837 -3.991 1.00 10.00 N ATOM 256 CA THR A 18 -6.552 23.239 -4.404 1.00 10.00 C ATOM 257 C THR A 18 -7.742 23.781 -5.215 1.00 10.00 C ATOM 258 O THR A 18 -8.067 24.967 -5.135 1.00 10.00 O ATOM 259 CB THR A 18 -5.208 23.456 -5.120 1.00 10.00 C ATOM 260 OG1 THR A 18 -4.796 24.804 -5.030 1.00 10.00 O ATOM 261 CG2 THR A 18 -5.271 23.099 -6.600 1.00 10.00 C ATOM 0 H THR A 18 -6.311 21.163 -4.642 1.00 10.00 H new ATOM 0 HA THR A 18 -6.540 23.831 -3.489 1.00 10.00 H new ATOM 0 HB THR A 18 -4.499 22.798 -4.617 1.00 10.00 H new ATOM 0 HG1 THR A 18 -3.939 24.916 -5.491 1.00 10.00 H new ATOM 0 HG21 THR A 18 -4.297 23.270 -7.057 1.00 10.00 H new ATOM 0 HG22 THR A 18 -5.544 22.049 -6.710 1.00 10.00 H new ATOM 0 HG23 THR A 18 -6.018 23.721 -7.093 1.00 10.00 H new ATOM 269 N GLY A 19 -8.448 22.915 -5.956 1.00 10.00 N ATOM 270 CA GLY A 19 -9.674 23.280 -6.680 1.00 10.00 C ATOM 271 C GLY A 19 -10.862 23.410 -5.732 1.00 10.00 C ATOM 272 O GLY A 19 -11.647 24.352 -5.852 1.00 10.00 O ATOM 0 H GLY A 19 -8.183 21.937 -6.070 1.00 10.00 H new ATOM 0 HA2 GLY A 19 -9.521 24.223 -7.206 1.00 10.00 H new ATOM 0 HA3 GLY A 19 -9.891 22.525 -7.436 1.00 10.00 H new ATOM 292 N ASP A 21 -10.520 24.493 -2.790 1.00 10.00 N ATOM 293 CA ASP A 21 -10.253 25.739 -2.102 1.00 10.00 C ATOM 294 C ASP A 21 -10.725 26.974 -2.871 1.00 10.00 C ATOM 295 O ASP A 21 -11.088 27.954 -2.234 1.00 10.00 O ATOM 296 CB ASP A 21 -8.790 25.771 -1.674 1.00 10.00 C ATOM 297 CG ASP A 21 -8.308 27.156 -1.207 1.00 10.00 C ATOM 298 OD1 ASP A 21 -8.537 27.505 -0.024 1.00 10.00 O ATOM 299 OD2 ASP A 21 -7.668 27.880 -2.007 1.00 10.00 O ATOM 0 HA ASP A 21 -10.859 25.781 -1.197 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -8.642 25.054 -0.866 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -8.170 25.444 -2.509 1.00 10.00 H new ATOM 304 N ASN A 22 -10.852 26.929 -4.199 1.00 10.00 N ATOM 305 CA ASN A 22 -11.516 27.994 -4.945 1.00 10.00 C ATOM 306 C ASN A 22 -13.027 28.036 -4.686 1.00 10.00 C ATOM 307 O ASN A 22 -13.672 29.076 -4.852 1.00 10.00 O ATOM 308 CB ASN A 22 -11.333 27.768 -6.450 1.00 10.00 C ATOM 309 CG ASN A 22 -9.897 27.901 -6.933 1.00 10.00 C ATOM 310 OD1 ASN A 22 -9.124 28.731 -6.473 1.00 10.00 O ATOM 311 ND2 ASN A 22 -9.497 27.101 -7.896 1.00 10.00 N ATOM 0 H ASN A 22 -10.503 26.165 -4.778 1.00 10.00 H new ATOM 0 HA ASN A 22 -11.064 28.928 -4.613 1.00 10.00 H new ATOM 0 HB2 ASN A 22 -11.698 26.773 -6.703 1.00 10.00 H new ATOM 0 HB3 ASN A 22 -11.954 28.482 -6.991 1.00 10.00 H new ATOM 0 HD21 ASN A 22 -8.546 27.173 -8.257 1.00 10.00 H new ATOM 0 HD22 ASN A 22 -10.138 26.408 -8.282 1.00 10.00 H new ATOM 318 N LEU A 23 -13.605 26.893 -4.320 1.00 10.00 N ATOM 319 CA LEU A 23 -14.962 26.793 -3.837 1.00 10.00 C ATOM 320 C LEU A 23 -15.087 27.098 -2.333 1.00 10.00 C ATOM 321 O LEU A 23 -15.965 27.853 -1.935 1.00 10.00 O ATOM 322 CB LEU A 23 -15.568 25.470 -4.316 1.00 10.00 C ATOM 323 CG LEU A 23 -16.931 25.673 -5.015 1.00 10.00 C ATOM 324 CD1 LEU A 23 -17.919 26.423 -4.142 1.00 10.00 C ATOM 325 CD2 LEU A 23 -17.065 26.383 -6.359 1.00 10.00 C ATOM 0 H LEU A 23 -13.123 25.995 -4.356 1.00 10.00 H new ATOM 0 HA LEU A 23 -15.575 27.582 -4.273 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -14.877 24.984 -5.005 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -15.694 24.801 -3.465 1.00 10.00 H new ATOM 0 HG LEU A 23 -17.114 24.615 -5.203 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -18.861 26.541 -4.677 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -18.091 25.863 -3.223 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -17.516 27.406 -3.897 1.00 10.00 H new ATOM 0 HD21 LEU A 23 -18.114 26.408 -6.654 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -16.688 27.402 -6.271 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -16.488 25.847 -7.113 1.00 10.00 H new ATOM 337 N GLN A 24 -14.156 26.609 -1.511 1.00 10.00 N ATOM 338 CA GLN A 24 -14.026 26.856 -0.076 1.00 10.00 C ATOM 339 C GLN A 24 -13.848 28.339 0.221 1.00 10.00 C ATOM 340 O GLN A 24 -14.525 28.860 1.092 1.00 10.00 O ATOM 341 CB GLN A 24 -12.810 26.102 0.484 1.00 10.00 C ATOM 342 CG GLN A 24 -12.777 25.919 2.000 1.00 10.00 C ATOM 343 CD GLN A 24 -13.730 24.836 2.512 1.00 10.00 C ATOM 344 OE1 GLN A 24 -14.945 24.937 2.425 1.00 10.00 O ATOM 345 NE2 GLN A 24 -13.223 23.763 3.084 1.00 10.00 N ATOM 0 H GLN A 24 -13.424 25.988 -1.855 1.00 10.00 H new ATOM 0 HA GLN A 24 -14.943 26.504 0.396 1.00 10.00 H new ATOM 0 HB2 GLN A 24 -12.772 25.117 0.018 1.00 10.00 H new ATOM 0 HB3 GLN A 24 -11.907 26.633 0.182 1.00 10.00 H new ATOM 0 HG2 GLN A 24 -11.761 25.669 2.304 1.00 10.00 H new ATOM 0 HG3 GLN A 24 -13.029 26.866 2.477 1.00 10.00 H new ATOM 0 HE21 GLN A 24 -12.212 23.659 3.167 1.00 10.00 H new ATOM 0 HE22 GLN A 24 -13.842 23.036 3.444 1.00 10.00 H new ATOM 354 N THR A 25 -12.972 29.036 -0.505 1.00 10.00 N ATOM 355 CA THR A 25 -12.762 30.480 -0.390 1.00 10.00 C ATOM 356 C THR A 25 -14.080 31.209 -0.608 1.00 10.00 C ATOM 357 O THR A 25 -14.510 32.006 0.216 1.00 10.00 O ATOM 358 CB THR A 25 -11.626 30.933 -1.322 1.00 10.00 C ATOM 359 OG1 THR A 25 -11.146 32.197 -0.922 1.00 10.00 O ATOM 360 CG2 THR A 25 -11.951 30.987 -2.809 1.00 10.00 C ATOM 0 H THR A 25 -12.374 28.601 -1.207 1.00 10.00 H new ATOM 0 HA THR A 25 -12.433 30.739 0.616 1.00 10.00 H new ATOM 0 HB THR A 25 -10.875 30.150 -1.216 1.00 10.00 H new ATOM 0 HG1 THR A 25 -10.422 32.476 -1.520 1.00 10.00 H new ATOM 0 HG21 THR A 25 -11.072 31.320 -3.362 1.00 10.00 H new ATOM 0 HG22 THR A 25 -12.242 29.995 -3.154 1.00 10.00 H new ATOM 0 HG23 THR A 25 -12.771 31.685 -2.977 1.00 10.00 H new ATOM 368 N GLN A 26 -14.815 30.790 -1.632 1.00 10.00 N ATOM 369 CA GLN A 26 -16.172 31.234 -1.930 1.00 10.00 C ATOM 370 C GLN A 26 -17.192 30.971 -0.809 1.00 10.00 C ATOM 371 O GLN A 26 -17.879 31.906 -0.390 1.00 10.00 O ATOM 372 CB GLN A 26 -16.609 30.601 -3.263 1.00 10.00 C ATOM 373 CG GLN A 26 -16.734 31.644 -4.377 1.00 10.00 C ATOM 374 CD GLN A 26 -16.968 30.995 -5.737 1.00 10.00 C ATOM 375 OE1 GLN A 26 -18.039 31.104 -6.322 1.00 10.00 O ATOM 376 NE2 GLN A 26 -16.013 30.268 -6.278 1.00 10.00 N ATOM 0 H GLN A 26 -14.468 30.105 -2.304 1.00 10.00 H new ATOM 0 HA GLN A 26 -16.152 32.321 -2.012 1.00 10.00 H new ATOM 0 HB2 GLN A 26 -15.886 29.840 -3.558 1.00 10.00 H new ATOM 0 HB3 GLN A 26 -17.566 30.097 -3.129 1.00 10.00 H new ATOM 0 HG2 GLN A 26 -17.558 32.321 -4.151 1.00 10.00 H new ATOM 0 HG3 GLN A 26 -15.827 32.247 -4.413 1.00 10.00 H new ATOM 0 HE21 GLN A 26 -15.116 30.168 -5.802 1.00 10.00 H new ATOM 0 HE22 GLN A 26 -16.170 29.804 -7.173 1.00 10.00 H new ATOM 385 N VAL A 27 -17.298 29.743 -0.285 1.00 10.00 N ATOM 386 CA VAL A 27 -18.208 29.448 0.831 1.00 10.00 C ATOM 387 C VAL A 27 -17.799 30.209 2.083 1.00 10.00 C ATOM 388 O VAL A 27 -18.637 30.687 2.837 1.00 10.00 O ATOM 389 CB VAL A 27 -18.367 27.956 1.193 1.00 10.00 C ATOM 390 CG1 VAL A 27 -18.295 27.025 -0.015 1.00 10.00 C ATOM 391 CG2 VAL A 27 -17.450 27.361 2.264 1.00 10.00 C ATOM 0 H VAL A 27 -16.766 28.938 -0.615 1.00 10.00 H new ATOM 0 HA VAL A 27 -19.179 29.777 0.462 1.00 10.00 H new ATOM 0 HB VAL A 27 -19.366 27.999 1.627 1.00 10.00 H new ATOM 0 HG11 VAL A 27 -18.414 25.993 0.314 1.00 10.00 H new ATOM 0 HG12 VAL A 27 -19.090 27.277 -0.716 1.00 10.00 H new ATOM 0 HG13 VAL A 27 -17.329 27.140 -0.506 1.00 10.00 H new ATOM 0 HG21 VAL A 27 -17.688 26.306 2.401 1.00 10.00 H new ATOM 0 HG22 VAL A 27 -16.411 27.461 1.950 1.00 10.00 H new ATOM 0 HG23 VAL A 27 -17.597 27.892 3.205 1.00 10.00 H new ATOM 401 N THR A 28 -16.497 30.341 2.304 1.00 10.00 N ATOM 402 CA THR A 28 -15.936 31.052 3.437 1.00 10.00 C ATOM 403 C THR A 28 -16.174 32.540 3.323 1.00 10.00 C ATOM 404 O THR A 28 -16.255 33.220 4.331 1.00 10.00 O ATOM 405 CB THR A 28 -14.432 30.869 3.574 1.00 10.00 C ATOM 406 OG1 THR A 28 -14.059 29.510 3.613 1.00 10.00 O ATOM 407 CG2 THR A 28 -13.950 31.483 4.872 1.00 10.00 C ATOM 0 H THR A 28 -15.789 29.946 1.684 1.00 10.00 H new ATOM 0 HA THR A 28 -16.440 30.628 4.306 1.00 10.00 H new ATOM 0 HB THR A 28 -13.987 31.350 2.703 1.00 10.00 H new ATOM 0 HG1 THR A 28 -13.917 29.183 2.700 1.00 10.00 H new ATOM 0 HG21 THR A 28 -12.872 31.347 4.961 1.00 10.00 H new ATOM 0 HG22 THR A 28 -14.183 32.548 4.879 1.00 10.00 H new ATOM 0 HG23 THR A 28 -14.447 30.997 5.711 1.00 10.00 H new ATOM 415 N GLU A 29 -16.289 33.088 2.124 1.00 10.00 N ATOM 416 CA GLU A 29 -16.638 34.481 1.976 1.00 10.00 C ATOM 417 C GLU A 29 -18.152 34.697 2.166 1.00 10.00 C ATOM 418 O GLU A 29 -18.570 35.745 2.641 1.00 10.00 O ATOM 419 CB GLU A 29 -16.105 35.038 0.677 1.00 10.00 C ATOM 420 CG GLU A 29 -14.582 35.215 0.741 1.00 10.00 C ATOM 421 CD GLU A 29 -14.043 35.907 -0.525 1.00 10.00 C ATOM 422 OE1 GLU A 29 -14.085 35.307 -1.626 1.00 10.00 O ATOM 423 OE2 GLU A 29 -13.576 37.070 -0.430 1.00 10.00 O ATOM 0 H GLU A 29 -16.146 32.588 1.247 1.00 10.00 H new ATOM 0 HA GLU A 29 -16.153 35.051 2.769 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -16.363 34.368 -0.144 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -16.578 35.997 0.467 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -14.319 35.804 1.619 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -14.106 34.241 0.856 1.00 10.00 H new ATOM 430 N ALA A 30 -18.995 33.703 1.857 1.00 10.00 N ATOM 431 CA ALA A 30 -20.404 33.715 2.242 1.00 10.00 C ATOM 432 C ALA A 30 -20.519 33.646 3.772 1.00 10.00 C ATOM 433 O ALA A 30 -21.322 34.334 4.399 1.00 10.00 O ATOM 434 CB ALA A 30 -21.115 32.527 1.602 1.00 10.00 C ATOM 0 H ALA A 30 -18.716 32.872 1.335 1.00 10.00 H new ATOM 0 HA ALA A 30 -20.873 34.636 1.896 1.00 10.00 H new ATOM 0 HB1 ALA A 30 -22.167 32.535 1.889 1.00 10.00 H new ATOM 0 HB2 ALA A 30 -21.034 32.596 0.517 1.00 10.00 H new ATOM 0 HB3 ALA A 30 -20.653 31.600 1.942 1.00 10.00 H new ATOM 440 N LEU A 31 -19.643 32.851 4.379 1.00 10.00 N ATOM 441 CA LEU A 31 -19.416 32.779 5.802 1.00 10.00 C ATOM 442 C LEU A 31 -18.758 34.041 6.375 1.00 10.00 C ATOM 443 O LEU A 31 -19.032 34.379 7.510 1.00 10.00 O ATOM 444 CB LEU A 31 -18.538 31.567 6.067 1.00 10.00 C ATOM 445 CG LEU A 31 -18.389 31.254 7.551 1.00 10.00 C ATOM 446 CD1 LEU A 31 -19.588 30.458 8.046 1.00 10.00 C ATOM 447 CD2 LEU A 31 -17.081 30.503 7.709 1.00 10.00 C ATOM 0 H LEU A 31 -19.046 32.210 3.856 1.00 10.00 H new ATOM 0 HA LEU A 31 -20.382 32.694 6.301 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -18.961 30.700 5.559 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -17.551 31.739 5.636 1.00 10.00 H new ATOM 0 HG LEU A 31 -18.363 32.159 8.157 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -19.468 30.242 9.108 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -20.498 31.039 7.895 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -19.658 29.523 7.491 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -16.928 30.255 8.759 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -17.115 29.586 7.121 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -16.258 31.127 7.360 1.00 10.00 H new ATOM 459 N ASP A 32 -17.941 34.789 5.638 1.00 10.00 N ATOM 460 CA ASP A 32 -17.435 36.093 6.063 1.00 10.00 C ATOM 461 C ASP A 32 -18.619 37.034 6.334 1.00 10.00 C ATOM 462 O ASP A 32 -18.581 37.842 7.263 1.00 10.00 O ATOM 463 CB ASP A 32 -16.425 36.638 5.035 1.00 10.00 C ATOM 464 CG ASP A 32 -16.037 38.101 5.306 1.00 10.00 C ATOM 465 OD1 ASP A 32 -15.218 38.352 6.222 1.00 10.00 O ATOM 466 OD2 ASP A 32 -16.531 38.996 4.578 1.00 10.00 O ATOM 0 H ASP A 32 -17.607 34.504 4.717 1.00 10.00 H new ATOM 0 HA ASP A 32 -16.883 36.004 6.999 1.00 10.00 H new ATOM 0 HB2 ASP A 32 -15.528 36.019 5.049 1.00 10.00 H new ATOM 0 HB3 ASP A 32 -16.851 36.558 4.035 1.00 10.00 H new ATOM 471 N LYS A 33 -19.724 36.834 5.600 1.00 10.00 N ATOM 472 CA LYS A 33 -21.008 37.457 5.843 1.00 10.00 C ATOM 473 C LYS A 33 -21.736 36.799 7.020 1.00 10.00 C ATOM 474 O LYS A 33 -22.313 37.480 7.865 1.00 10.00 O ATOM 475 CB LYS A 33 -21.879 37.491 4.586 1.00 10.00 C ATOM 476 CG LYS A 33 -21.253 37.586 3.191 1.00 10.00 C ATOM 477 CD LYS A 33 -20.029 38.493 3.045 1.00 10.00 C ATOM 478 CE LYS A 33 -19.672 38.650 1.569 1.00 10.00 C ATOM 479 NZ LYS A 33 -18.473 39.511 1.402 1.00 10.00 N ATOM 0 H LYS A 33 -19.735 36.209 4.794 1.00 10.00 H new ATOM 0 HA LYS A 33 -20.813 38.494 6.117 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -22.493 36.590 4.599 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -22.556 38.339 4.690 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -20.971 36.581 2.876 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -22.019 37.934 2.498 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -20.234 39.469 3.484 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -19.185 38.070 3.589 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -19.485 37.670 1.130 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -20.515 39.085 1.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -18.250 39.603 0.390 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -18.663 40.452 1.802 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -17.665 39.081 1.897 1.00 10.00 H new ATOM 493 N LEU A 34 -21.747 35.465 7.087 1.00 10.00 N ATOM 494 CA LEU A 34 -22.491 34.708 8.105 1.00 10.00 C ATOM 495 C LEU A 34 -21.834 34.819 9.491 1.00 10.00 C ATOM 496 O LEU A 34 -22.442 34.578 10.519 1.00 10.00 O ATOM 497 CB LEU A 34 -22.705 33.268 7.635 1.00 10.00 C ATOM 498 CG LEU A 34 -24.140 32.737 7.831 1.00 10.00 C ATOM 499 CD1 LEU A 34 -24.293 31.491 7.020 1.00 10.00 C ATOM 500 CD2 LEU A 34 -24.632 32.287 9.188 1.00 10.00 C ATOM 0 H LEU A 34 -21.237 34.872 6.432 1.00 10.00 H new ATOM 0 HA LEU A 34 -23.480 35.150 8.227 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -22.448 33.202 6.578 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -22.014 32.618 8.172 1.00 10.00 H new ATOM 0 HG LEU A 34 -24.710 33.630 7.573 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -25.302 31.098 7.144 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -24.119 31.718 5.968 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -23.570 30.747 7.356 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -25.666 31.951 9.107 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -24.010 31.467 9.547 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -24.575 33.119 9.890 1.00 10.00 H new ATOM 512 N ALA A 35 -20.564 35.185 9.533 1.00 10.00 N ATOM 513 CA ALA A 35 -19.831 35.561 10.720 1.00 10.00 C ATOM 514 C ALA A 35 -20.127 37.052 11.095 1.00 10.00 C ATOM 515 O ALA A 35 -19.989 37.435 12.258 1.00 10.00 O ATOM 516 CB ALA A 35 -18.358 35.212 10.443 1.00 10.00 C ATOM 0 H ALA A 35 -19.990 35.229 8.691 1.00 10.00 H new ATOM 0 HA ALA A 35 -20.137 35.016 11.613 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -17.752 35.476 11.310 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -18.268 34.143 10.249 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -18.009 35.770 9.574 1.00 10.00 H new ATOM 522 N ALA A 36 -20.552 37.887 10.122 1.00 10.00 N ATOM 523 CA ALA A 36 -20.929 39.309 10.254 1.00 10.00 C ATOM 524 C ALA A 36 -22.358 39.592 10.784 1.00 10.00 C ATOM 525 O ALA A 36 -22.527 40.358 11.737 1.00 10.00 O ATOM 526 CB ALA A 36 -20.700 40.020 8.901 1.00 10.00 C ATOM 0 H ALA A 36 -20.647 37.563 9.160 1.00 10.00 H new ATOM 0 HA ALA A 36 -20.280 39.709 11.033 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -20.976 41.071 8.991 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -19.649 39.944 8.623 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -21.313 39.548 8.133 1.00 10.00 H new ATOM 532 N LYS A 37 -23.383 38.980 10.173 1.00 10.00 N ATOM 533 CA LYS A 37 -24.835 39.160 10.450 1.00 10.00 C ATOM 534 C LYS A 37 -25.564 37.797 10.364 1.00 10.00 C ATOM 535 O LYS A 37 -26.605 37.672 9.721 1.00 10.00 O ATOM 536 CB LYS A 37 -25.374 40.091 9.363 1.00 10.00 C ATOM 537 CG LYS A 37 -26.696 40.782 9.686 1.00 10.00 C ATOM 538 CD LYS A 37 -27.237 41.383 8.385 1.00 10.00 C ATOM 539 CE LYS A 37 -28.580 42.043 8.688 1.00 10.00 C ATOM 540 NZ LYS A 37 -29.306 42.420 7.448 1.00 10.00 N ATOM 0 H LYS A 37 -23.222 38.304 9.426 1.00 10.00 H new ATOM 0 HA LYS A 37 -24.994 39.571 11.447 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -24.624 40.856 9.160 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -25.499 39.516 8.446 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -27.408 40.070 10.103 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -26.548 41.560 10.434 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -26.536 42.115 7.984 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -27.356 40.607 7.629 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -29.195 41.361 9.275 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -28.418 42.932 9.298 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -30.163 42.955 7.696 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -28.691 43.009 6.851 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -29.573 41.560 6.927 1.00 10.00 H new ATOM 554 N PRO A 38 -25.037 36.761 11.019 1.00 10.00 N ATOM 555 CA PRO A 38 -25.393 35.371 10.822 1.00 10.00 C ATOM 556 C PRO A 38 -26.658 34.909 10.113 1.00 10.00 C ATOM 557 O PRO A 38 -26.619 34.685 8.905 1.00 10.00 O ATOM 558 CB PRO A 38 -24.992 34.590 12.067 1.00 10.00 C ATOM 559 CG PRO A 38 -24.189 35.577 12.921 1.00 10.00 C ATOM 560 CD PRO A 38 -24.070 36.858 12.095 1.00 10.00 C ATOM 0 HA PRO A 38 -24.809 35.111 9.939 1.00 10.00 H new ATOM 0 HB2 PRO A 38 -25.869 34.228 12.604 1.00 10.00 H new ATOM 0 HB3 PRO A 38 -24.394 33.716 11.808 1.00 10.00 H new ATOM 0 HG2 PRO A 38 -24.692 35.770 13.869 1.00 10.00 H new ATOM 0 HG3 PRO A 38 -23.204 35.174 13.159 1.00 10.00 H new ATOM 0 HD2 PRO A 38 -24.267 37.734 12.712 1.00 10.00 H new ATOM 0 HD3 PRO A 38 -23.061 36.968 11.698 1.00 10.00 H new ATOM 568 N SER A 39 -27.764 34.698 10.812 1.00 10.00 N ATOM 569 CA SER A 39 -28.928 34.049 10.229 1.00 10.00 C ATOM 570 C SER A 39 -29.730 34.943 9.275 1.00 10.00 C ATOM 571 O SER A 39 -30.826 34.556 8.872 1.00 10.00 O ATOM 572 CB SER A 39 -29.749 33.335 11.294 1.00 10.00 C ATOM 573 OG SER A 39 -30.261 34.243 12.260 1.00 10.00 O ATOM 0 H SER A 39 -27.879 34.969 11.789 1.00 10.00 H new ATOM 0 HA SER A 39 -28.563 33.268 9.562 1.00 10.00 H new ATOM 0 HB2 SER A 39 -30.575 32.803 10.821 1.00 10.00 H new ATOM 0 HB3 SER A 39 -29.130 32.587 11.790 1.00 10.00 H new ATOM 0 HG SER A 39 -30.784 33.751 12.927 1.00 10.00 H new ATOM 579 N ASP A 40 -29.196 36.127 8.920 1.00 10.00 N ATOM 580 CA ASP A 40 -29.685 36.981 7.830 1.00 10.00 C ATOM 581 C ASP A 40 -29.852 36.066 6.611 1.00 10.00 C ATOM 582 O ASP A 40 -28.861 35.606 6.049 1.00 10.00 O ATOM 583 CB ASP A 40 -28.730 38.151 7.547 1.00 10.00 C ATOM 584 CG ASP A 40 -29.162 38.924 6.290 1.00 10.00 C ATOM 585 OD1 ASP A 40 -28.752 38.553 5.167 1.00 10.00 O ATOM 586 OD2 ASP A 40 -29.921 39.909 6.434 1.00 10.00 O ATOM 0 H ASP A 40 -28.389 36.524 9.400 1.00 10.00 H new ATOM 0 HA ASP A 40 -30.633 37.448 8.096 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -28.711 38.825 8.404 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -27.716 37.774 7.415 1.00 10.00 H new ATOM 591 N PRO A 41 -31.076 35.734 6.192 1.00 10.00 N ATOM 592 CA PRO A 41 -31.255 34.669 5.220 1.00 10.00 C ATOM 593 C PRO A 41 -30.732 34.984 3.828 1.00 10.00 C ATOM 594 O PRO A 41 -30.398 34.062 3.092 1.00 10.00 O ATOM 595 CB PRO A 41 -32.753 34.407 5.210 1.00 10.00 C ATOM 596 CG PRO A 41 -33.360 35.752 5.622 1.00 10.00 C ATOM 597 CD PRO A 41 -32.345 36.299 6.614 1.00 10.00 C ATOM 0 HA PRO A 41 -30.667 33.797 5.508 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -33.099 34.097 4.224 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -33.026 33.614 5.907 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -33.486 36.416 4.767 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -34.343 35.628 6.077 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -32.319 37.389 6.594 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -32.590 36.004 7.634 1.00 10.00 H new ATOM 605 N ALA A 42 -30.618 36.253 3.453 1.00 10.00 N ATOM 606 CA ALA A 42 -30.062 36.636 2.173 1.00 10.00 C ATOM 607 C ALA A 42 -28.568 36.254 2.055 1.00 10.00 C ATOM 608 O ALA A 42 -28.161 35.696 1.032 1.00 10.00 O ATOM 609 CB ALA A 42 -30.363 38.121 1.993 1.00 10.00 C ATOM 0 H ALA A 42 -30.910 37.040 4.032 1.00 10.00 H new ATOM 0 HA ALA A 42 -30.520 36.086 1.351 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -29.962 38.460 1.038 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -31.441 38.278 2.011 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -29.901 38.687 2.802 1.00 10.00 H new ATOM 615 N LEU A 43 -27.762 36.468 3.106 1.00 10.00 N ATOM 616 CA LEU A 43 -26.383 35.979 3.196 1.00 10.00 C ATOM 617 C LEU A 43 -26.260 34.497 3.614 1.00 10.00 C ATOM 618 O LEU A 43 -25.474 33.763 3.015 1.00 10.00 O ATOM 619 CB LEU A 43 -25.569 36.959 4.061 1.00 10.00 C ATOM 620 CG LEU A 43 -25.764 36.847 5.570 1.00 10.00 C ATOM 621 CD1 LEU A 43 -24.863 35.803 6.169 1.00 10.00 C ATOM 622 CD2 LEU A 43 -25.292 38.066 6.342 1.00 10.00 C ATOM 0 H LEU A 43 -28.057 36.994 3.929 1.00 10.00 H new ATOM 0 HA LEU A 43 -25.951 35.965 2.195 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -24.511 36.814 3.840 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -25.821 37.975 3.757 1.00 10.00 H new ATOM 0 HG LEU A 43 -26.834 36.659 5.655 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -25.030 35.752 7.245 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -25.082 34.833 5.721 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -23.823 36.066 5.976 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -25.464 37.911 7.407 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -24.228 38.219 6.165 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -25.845 38.944 6.009 1.00 10.00 H new ATOM 634 N LEU A 44 -27.016 34.023 4.616 1.00 10.00 N ATOM 635 CA LEU A 44 -26.971 32.627 5.089 1.00 10.00 C ATOM 636 C LEU A 44 -27.430 31.690 3.977 1.00 10.00 C ATOM 637 O LEU A 44 -26.877 30.603 3.838 1.00 10.00 O ATOM 638 CB LEU A 44 -27.735 32.486 6.434 1.00 10.00 C ATOM 639 CG LEU A 44 -28.616 31.265 6.769 1.00 10.00 C ATOM 640 CD1 LEU A 44 -29.690 30.861 5.756 1.00 10.00 C ATOM 641 CD2 LEU A 44 -27.792 30.020 7.011 1.00 10.00 C ATOM 0 H LEU A 44 -27.683 34.602 5.127 1.00 10.00 H new ATOM 0 HA LEU A 44 -25.948 32.327 5.318 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -26.988 32.556 7.224 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -28.375 33.364 6.521 1.00 10.00 H new ATOM 0 HG LEU A 44 -29.129 31.631 7.659 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -30.229 29.989 6.126 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -30.388 31.687 5.617 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -29.219 30.620 4.803 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -28.453 29.185 7.243 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -27.214 29.787 6.117 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -27.114 30.189 7.847 1.00 10.00 H new ATOM 653 N ALA A 45 -28.386 32.084 3.131 1.00 10.00 N ATOM 654 CA ALA A 45 -28.780 31.201 2.057 1.00 10.00 C ATOM 655 C ALA A 45 -27.751 31.195 0.915 1.00 10.00 C ATOM 656 O ALA A 45 -27.565 30.168 0.270 1.00 10.00 O ATOM 657 CB ALA A 45 -30.203 31.479 1.566 1.00 10.00 C ATOM 0 H ALA A 45 -28.879 32.976 3.173 1.00 10.00 H new ATOM 0 HA ALA A 45 -28.796 30.191 2.467 1.00 10.00 H new ATOM 0 HB1 ALA A 45 -30.451 30.789 0.759 1.00 10.00 H new ATOM 0 HB2 ALA A 45 -30.905 31.342 2.389 1.00 10.00 H new ATOM 0 HB3 ALA A 45 -30.268 32.504 1.200 1.00 10.00 H new ATOM 663 N ALA A 46 -27.020 32.294 0.697 1.00 10.00 N ATOM 664 CA ALA A 46 -25.876 32.299 -0.200 1.00 10.00 C ATOM 665 C ALA A 46 -24.740 31.405 0.332 1.00 10.00 C ATOM 666 O ALA A 46 -24.097 30.694 -0.436 1.00 10.00 O ATOM 667 CB ALA A 46 -25.392 33.730 -0.421 1.00 10.00 C ATOM 0 H ALA A 46 -27.209 33.195 1.137 1.00 10.00 H new ATOM 0 HA ALA A 46 -26.190 31.885 -1.158 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -24.535 33.724 -1.094 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -26.195 34.322 -0.861 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -25.100 34.167 0.534 1.00 10.00 H new ATOM 673 N TYR A 47 -24.539 31.365 1.652 1.00 10.00 N ATOM 674 CA TYR A 47 -23.633 30.437 2.312 1.00 10.00 C ATOM 675 C TYR A 47 -24.037 29.008 2.078 1.00 10.00 C ATOM 676 O TYR A 47 -23.239 28.229 1.569 1.00 10.00 O ATOM 677 CB TYR A 47 -23.611 30.697 3.808 1.00 10.00 C ATOM 678 CG TYR A 47 -22.767 29.704 4.598 1.00 10.00 C ATOM 679 CD1 TYR A 47 -21.379 29.619 4.395 1.00 10.00 C ATOM 680 CD2 TYR A 47 -23.399 28.775 5.453 1.00 10.00 C ATOM 681 CE1 TYR A 47 -20.625 28.613 5.032 1.00 10.00 C ATOM 682 CE2 TYR A 47 -22.646 27.791 6.121 1.00 10.00 C ATOM 683 CZ TYR A 47 -21.254 27.703 5.905 1.00 10.00 C ATOM 684 OH TYR A 47 -20.516 26.742 6.526 1.00 10.00 O ATOM 0 H TYR A 47 -25.014 31.993 2.300 1.00 10.00 H new ATOM 0 HA TYR A 47 -22.642 30.597 1.887 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -23.231 31.703 3.986 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -24.633 30.671 4.186 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -20.887 30.329 3.747 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -24.469 28.820 5.596 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -19.563 28.539 4.851 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -23.133 27.104 6.798 1.00 10.00 H new ATOM 0 HH TYR A 47 -21.100 26.197 7.094 1.00 10.00 H new ATOM 694 N GLN A 48 -25.281 28.681 2.417 1.00 10.00 N ATOM 695 CA GLN A 48 -25.762 27.315 2.316 1.00 10.00 C ATOM 696 C GLN A 48 -25.813 26.846 0.845 1.00 10.00 C ATOM 697 O GLN A 48 -25.647 25.669 0.535 1.00 10.00 O ATOM 698 CB GLN A 48 -27.031 27.124 3.144 1.00 10.00 C ATOM 699 CG GLN A 48 -28.285 27.656 2.493 1.00 10.00 C ATOM 700 CD GLN A 48 -29.021 26.669 1.589 1.00 10.00 C ATOM 701 OE1 GLN A 48 -29.492 25.620 2.010 1.00 10.00 O ATOM 702 NE2 GLN A 48 -29.157 26.969 0.312 1.00 10.00 N ATOM 0 H GLN A 48 -25.971 29.347 2.764 1.00 10.00 H new ATOM 0 HA GLN A 48 -25.049 26.629 2.772 1.00 10.00 H new ATOM 0 HB2 GLN A 48 -27.163 26.061 3.345 1.00 10.00 H new ATOM 0 HB3 GLN A 48 -26.899 27.616 4.108 1.00 10.00 H new ATOM 0 HG2 GLN A 48 -28.969 27.986 3.275 1.00 10.00 H new ATOM 0 HG3 GLN A 48 -28.024 28.536 1.905 1.00 10.00 H new ATOM 0 HE21 GLN A 48 -28.769 27.840 -0.051 1.00 10.00 H new ATOM 0 HE22 GLN A 48 -29.650 26.330 -0.312 1.00 10.00 H new ATOM 711 N SER A 49 -25.956 27.802 -0.076 1.00 10.00 N ATOM 712 CA SER A 49 -25.800 27.598 -1.513 1.00 10.00 C ATOM 713 C SER A 49 -24.365 27.242 -1.865 1.00 10.00 C ATOM 714 O SER A 49 -24.119 26.251 -2.545 1.00 10.00 O ATOM 715 CB SER A 49 -26.177 28.857 -2.321 1.00 10.00 C ATOM 716 OG SER A 49 -27.584 28.898 -2.501 1.00 10.00 O ATOM 0 H SER A 49 -26.190 28.765 0.167 1.00 10.00 H new ATOM 0 HA SER A 49 -26.472 26.780 -1.773 1.00 10.00 H new ATOM 0 HB2 SER A 49 -25.840 29.752 -1.798 1.00 10.00 H new ATOM 0 HB3 SER A 49 -25.676 28.845 -3.289 1.00 10.00 H new ATOM 0 HG SER A 49 -28.002 29.311 -1.717 1.00 10.00 H new ATOM 722 N LYS A 50 -23.394 28.020 -1.382 1.00 10.00 N ATOM 723 CA LYS A 50 -21.972 27.827 -1.661 1.00 10.00 C ATOM 724 C LYS A 50 -21.422 26.544 -1.038 1.00 10.00 C ATOM 725 O LYS A 50 -20.672 25.833 -1.688 1.00 10.00 O ATOM 726 CB LYS A 50 -21.217 29.105 -1.257 1.00 10.00 C ATOM 727 CG LYS A 50 -21.594 30.266 -2.195 1.00 10.00 C ATOM 728 CD LYS A 50 -20.475 30.624 -3.159 1.00 10.00 C ATOM 729 CE LYS A 50 -20.107 29.488 -4.118 1.00 10.00 C ATOM 730 NZ LYS A 50 -20.429 29.825 -5.532 1.00 10.00 N ATOM 0 H LYS A 50 -23.579 28.818 -0.774 1.00 10.00 H new ATOM 0 HA LYS A 50 -21.820 27.674 -2.729 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -21.458 29.368 -0.227 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -20.142 28.929 -1.298 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -22.485 29.996 -2.762 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -21.849 31.142 -1.599 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -20.772 31.497 -3.740 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -19.591 30.907 -2.588 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -19.043 29.270 -4.031 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -20.642 28.583 -3.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -20.374 28.965 -6.115 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -21.390 30.219 -5.585 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -19.748 30.527 -5.885 1.00 10.00 H new ATOM 744 N LEU A 51 -21.877 26.202 0.160 1.00 10.00 N ATOM 745 CA LEU A 51 -21.713 24.946 0.901 1.00 10.00 C ATOM 746 C LEU A 51 -22.159 23.751 0.046 1.00 10.00 C ATOM 747 O LEU A 51 -21.525 22.698 0.074 1.00 10.00 O ATOM 748 CB LEU A 51 -22.532 25.198 2.191 1.00 10.00 C ATOM 749 CG LEU A 51 -23.160 24.101 3.077 1.00 10.00 C ATOM 750 CD1 LEU A 51 -23.977 24.817 4.171 1.00 10.00 C ATOM 751 CD2 LEU A 51 -24.152 23.171 2.371 1.00 10.00 C ATOM 0 H LEU A 51 -22.431 26.867 0.700 1.00 10.00 H new ATOM 0 HA LEU A 51 -20.686 24.681 1.153 1.00 10.00 H new ATOM 0 HB2 LEU A 51 -21.882 25.776 2.848 1.00 10.00 H new ATOM 0 HB3 LEU A 51 -23.354 25.852 1.899 1.00 10.00 H new ATOM 0 HG LEU A 51 -22.329 23.489 3.428 1.00 10.00 H new ATOM 0 HD11 LEU A 51 -24.440 24.076 4.823 1.00 10.00 H new ATOM 0 HD12 LEU A 51 -23.317 25.455 4.759 1.00 10.00 H new ATOM 0 HD13 LEU A 51 -24.752 25.426 3.706 1.00 10.00 H new ATOM 0 HD21 LEU A 51 -24.534 22.439 3.082 1.00 10.00 H new ATOM 0 HD22 LEU A 51 -24.981 23.757 1.974 1.00 10.00 H new ATOM 0 HD23 LEU A 51 -23.648 22.655 1.554 1.00 10.00 H new ATOM 763 N SER A 52 -23.202 23.926 -0.766 1.00 10.00 N ATOM 764 CA SER A 52 -23.614 22.960 -1.774 1.00 10.00 C ATOM 765 C SER A 52 -22.782 23.030 -3.052 1.00 10.00 C ATOM 766 O SER A 52 -22.373 21.992 -3.562 1.00 10.00 O ATOM 767 CB SER A 52 -25.085 23.124 -2.136 1.00 10.00 C ATOM 768 OG SER A 52 -25.929 23.086 -0.994 1.00 10.00 O ATOM 0 H SER A 52 -23.791 24.758 -0.738 1.00 10.00 H new ATOM 0 HA SER A 52 -23.450 21.984 -1.317 1.00 10.00 H new ATOM 0 HB2 SER A 52 -25.225 24.071 -2.657 1.00 10.00 H new ATOM 0 HB3 SER A 52 -25.377 22.333 -2.827 1.00 10.00 H new ATOM 0 HG SER A 52 -25.851 23.930 -0.502 1.00 10.00 H new ATOM 774 N GLU A 53 -22.465 24.224 -3.561 1.00 10.00 N ATOM 775 CA GLU A 53 -21.620 24.400 -4.737 1.00 10.00 C ATOM 776 C GLU A 53 -20.228 23.780 -4.553 1.00 10.00 C ATOM 777 O GLU A 53 -19.625 23.292 -5.499 1.00 10.00 O ATOM 778 CB GLU A 53 -21.366 25.847 -5.104 1.00 10.00 C ATOM 779 CG GLU A 53 -22.401 26.790 -5.680 1.00 10.00 C ATOM 780 CD GLU A 53 -23.172 26.209 -6.881 1.00 10.00 C ATOM 781 OE1 GLU A 53 -22.548 25.964 -7.941 1.00 10.00 O ATOM 782 OE2 GLU A 53 -24.409 26.030 -6.783 1.00 10.00 O ATOM 0 H GLU A 53 -22.793 25.103 -3.161 1.00 10.00 H new ATOM 0 HA GLU A 53 -22.190 23.904 -5.523 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -20.996 26.326 -4.197 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -20.542 25.835 -5.817 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -23.112 27.056 -4.898 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -21.907 27.712 -5.988 1.00 10.00 H new ATOM 789 N TYR A 54 -19.696 23.822 -3.337 1.00 10.00 N ATOM 790 CA TYR A 54 -18.422 23.225 -2.970 1.00 10.00 C ATOM 791 C TYR A 54 -18.496 21.696 -3.020 1.00 10.00 C ATOM 792 O TYR A 54 -17.557 21.047 -3.484 1.00 10.00 O ATOM 793 CB TYR A 54 -17.954 23.834 -1.641 1.00 10.00 C ATOM 794 CG TYR A 54 -17.289 22.905 -0.680 1.00 10.00 C ATOM 795 CD1 TYR A 54 -18.076 22.169 0.213 1.00 10.00 C ATOM 796 CD2 TYR A 54 -15.890 22.816 -0.653 1.00 10.00 C ATOM 797 CE1 TYR A 54 -17.466 21.329 1.147 1.00 10.00 C ATOM 798 CE2 TYR A 54 -15.271 21.968 0.277 1.00 10.00 C ATOM 799 CZ TYR A 54 -16.055 21.218 1.187 1.00 10.00 C ATOM 800 OH TYR A 54 -15.460 20.396 2.095 1.00 10.00 O ATOM 0 H TYR A 54 -20.156 24.288 -2.555 1.00 10.00 H new ATOM 0 HA TYR A 54 -17.646 23.464 -3.697 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -17.263 24.647 -1.863 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -18.818 24.276 -1.145 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -19.152 22.250 0.180 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -15.294 23.396 -1.342 1.00 10.00 H new ATOM 0 HE1 TYR A 54 -18.071 20.763 1.840 1.00 10.00 H new ATOM 0 HE2 TYR A 54 -14.194 21.887 0.299 1.00 10.00 H new ATOM 0 HH TYR A 54 -14.487 20.437 1.985 1.00 10.00 H new ATOM 843 N TYR A 57 -18.549 21.153 -6.836 1.00 10.00 N ATOM 844 CA TYR A 57 -17.154 21.143 -7.246 1.00 10.00 C ATOM 845 C TYR A 57 -16.609 19.711 -7.036 1.00 10.00 C ATOM 846 O TYR A 57 -15.986 19.119 -7.916 1.00 10.00 O ATOM 847 CB TYR A 57 -16.335 22.236 -6.526 1.00 10.00 C ATOM 848 CG TYR A 57 -14.864 21.885 -6.582 1.00 10.00 C ATOM 849 CD1 TYR A 57 -14.372 20.976 -5.631 1.00 10.00 C ATOM 850 CD2 TYR A 57 -14.094 22.206 -7.715 1.00 10.00 C ATOM 851 CE1 TYR A 57 -13.168 20.295 -5.865 1.00 10.00 C ATOM 852 CE2 TYR A 57 -12.849 21.577 -7.919 1.00 10.00 C ATOM 853 CZ TYR A 57 -12.397 20.595 -7.007 1.00 10.00 C ATOM 854 OH TYR A 57 -11.236 19.926 -7.232 1.00 10.00 O ATOM 0 HA TYR A 57 -17.063 21.395 -8.302 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -16.507 23.204 -6.997 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -16.659 22.324 -5.489 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -14.922 20.801 -4.718 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -14.456 22.933 -8.427 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -12.831 19.540 -5.170 1.00 10.00 H new ATOM 0 HE2 TYR A 57 -12.241 21.845 -8.771 1.00 10.00 H new ATOM 0 HH TYR A 57 -10.620 20.079 -6.485 1.00 10.00 H new ATOM 864 N ARG A 58 -16.946 19.122 -5.881 1.00 10.00 N ATOM 865 CA ARG A 58 -16.651 17.747 -5.475 1.00 10.00 C ATOM 866 C ARG A 58 -17.331 16.705 -6.367 1.00 10.00 C ATOM 867 O ARG A 58 -16.719 15.701 -6.703 1.00 10.00 O ATOM 868 CB ARG A 58 -17.120 17.586 -4.005 1.00 10.00 C ATOM 869 CG ARG A 58 -16.135 16.948 -3.031 1.00 10.00 C ATOM 870 CD ARG A 58 -15.014 17.921 -2.662 1.00 10.00 C ATOM 871 NE ARG A 58 -13.900 17.225 -1.985 1.00 10.00 N ATOM 872 CZ ARG A 58 -13.628 17.193 -0.693 1.00 10.00 C ATOM 873 NH1 ARG A 58 -14.370 17.795 0.194 1.00 10.00 N ATOM 874 NH2 ARG A 58 -12.587 16.542 -0.262 1.00 10.00 N ATOM 0 H ARG A 58 -17.464 19.627 -5.162 1.00 10.00 H new ATOM 0 HA ARG A 58 -15.580 17.572 -5.574 1.00 10.00 H new ATOM 0 HB2 ARG A 58 -17.383 18.572 -3.623 1.00 10.00 H new ATOM 0 HB3 ARG A 58 -18.032 16.990 -4.004 1.00 10.00 H new ATOM 0 HG2 ARG A 58 -16.662 16.637 -2.129 1.00 10.00 H new ATOM 0 HG3 ARG A 58 -15.708 16.050 -3.477 1.00 10.00 H new ATOM 0 HD2 ARG A 58 -14.645 18.412 -3.562 1.00 10.00 H new ATOM 0 HD3 ARG A 58 -15.407 18.702 -2.011 1.00 10.00 H new ATOM 0 HE ARG A 58 -13.263 16.706 -2.589 1.00 10.00 H new ATOM 0 HH11 ARG A 58 -15.196 18.316 -0.101 1.00 10.00 H new ATOM 0 HH12 ARG A 58 -14.124 17.745 1.183 1.00 10.00 H new ATOM 0 HH21 ARG A 58 -11.980 16.056 -0.922 1.00 10.00 H new ATOM 0 HH22 ARG A 58 -12.378 16.518 0.736 1.00 10.00 H new ATOM 888 N ASN A 59 -18.575 16.958 -6.777 1.00 10.00 N ATOM 889 CA ASN A 59 -19.371 16.098 -7.650 1.00 10.00 C ATOM 890 C ASN A 59 -18.754 16.015 -9.052 1.00 10.00 C ATOM 891 O ASN A 59 -18.598 14.937 -9.621 1.00 10.00 O ATOM 892 CB ASN A 59 -20.823 16.620 -7.724 1.00 10.00 C ATOM 893 CG ASN A 59 -21.760 15.613 -8.379 1.00 10.00 C ATOM 894 OD1 ASN A 59 -21.782 14.436 -8.046 1.00 10.00 O ATOM 895 ND2 ASN A 59 -22.558 16.034 -9.333 1.00 10.00 N ATOM 0 H ASN A 59 -19.074 17.802 -6.498 1.00 10.00 H new ATOM 0 HA ASN A 59 -19.379 15.092 -7.230 1.00 10.00 H new ATOM 0 HB2 ASN A 59 -21.179 16.845 -6.719 1.00 10.00 H new ATOM 0 HB3 ASN A 59 -20.844 17.554 -8.286 1.00 10.00 H new ATOM 0 HD21 ASN A 59 -23.192 15.381 -9.793 1.00 10.00 H new ATOM 0 HD22 ASN A 59 -22.544 17.014 -9.614 1.00 10.00 H new ATOM 902 N ALA A 60 -18.337 17.167 -9.575 1.00 10.00 N ATOM 903 CA ALA A 60 -17.587 17.325 -10.808 1.00 10.00 C ATOM 904 C ALA A 60 -16.214 16.650 -10.719 1.00 10.00 C ATOM 905 O ALA A 60 -15.854 15.858 -11.591 1.00 10.00 O ATOM 906 CB ALA A 60 -17.502 18.830 -11.083 1.00 10.00 C ATOM 0 H ALA A 60 -18.527 18.060 -9.121 1.00 10.00 H new ATOM 0 HA ALA A 60 -18.085 16.829 -11.641 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -16.945 19.001 -12.004 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -18.507 19.238 -11.186 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -16.993 19.323 -10.255 1.00 10.00 H new ATOM 912 N GLN A 61 -15.519 16.832 -9.595 1.00 10.00 N ATOM 913 CA GLN A 61 -14.305 16.108 -9.222 1.00 10.00 C ATOM 914 C GLN A 61 -14.577 14.699 -8.659 1.00 10.00 C ATOM 915 O GLN A 61 -13.808 14.130 -7.890 1.00 10.00 O ATOM 916 CB GLN A 61 -13.450 16.968 -8.314 1.00 10.00 C ATOM 917 CG GLN A 61 -11.955 16.570 -8.384 1.00 10.00 C ATOM 918 CD GLN A 61 -11.185 17.347 -9.461 1.00 10.00 C ATOM 919 OE1 GLN A 61 -11.716 17.779 -10.475 1.00 10.00 O ATOM 920 NE2 GLN A 61 -9.898 17.570 -9.308 1.00 10.00 N ATOM 0 H GLN A 61 -15.799 17.516 -8.892 1.00 10.00 H new ATOM 0 HA GLN A 61 -13.737 15.917 -10.133 1.00 10.00 H new ATOM 0 HB2 GLN A 61 -13.561 18.015 -8.595 1.00 10.00 H new ATOM 0 HB3 GLN A 61 -13.803 16.875 -7.287 1.00 10.00 H new ATOM 0 HG2 GLN A 61 -11.491 16.745 -7.414 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -11.877 15.502 -8.587 1.00 10.00 H new ATOM 0 HE21 GLN A 61 -9.416 17.227 -8.477 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -9.382 18.086 -10.020 1.00 10.00 H new ATOM 929 N SER A 62 -15.710 14.147 -9.068 1.00 10.00 N ATOM 930 CA SER A 62 -16.171 12.771 -8.923 1.00 10.00 C ATOM 931 C SER A 62 -16.900 12.328 -10.212 1.00 10.00 C ATOM 932 O SER A 62 -17.632 11.339 -10.244 1.00 10.00 O ATOM 933 CB SER A 62 -17.015 12.634 -7.655 1.00 10.00 C ATOM 934 OG SER A 62 -17.234 11.272 -7.317 1.00 10.00 O ATOM 0 H SER A 62 -16.403 14.710 -9.562 1.00 10.00 H new ATOM 0 HA SER A 62 -15.326 12.094 -8.799 1.00 10.00 H new ATOM 0 HB2 SER A 62 -16.515 13.139 -6.828 1.00 10.00 H new ATOM 0 HB3 SER A 62 -17.974 13.132 -7.800 1.00 10.00 H new ATOM 0 HG SER A 62 -17.464 10.767 -8.125 1.00 10.00 H new ATOM 940 N ASN A 63 -16.667 13.061 -11.311 1.00 10.00 N ATOM 941 CA ASN A 63 -17.163 12.821 -12.655 1.00 10.00 C ATOM 942 C ASN A 63 -16.000 12.686 -13.633 1.00 10.00 C ATOM 943 O ASN A 63 -15.850 11.668 -14.294 1.00 10.00 O ATOM 944 CB ASN A 63 -18.116 13.966 -13.028 1.00 10.00 C ATOM 945 CG ASN A 63 -19.089 13.563 -14.121 1.00 10.00 C ATOM 946 OD1 ASN A 63 -18.779 13.600 -15.303 1.00 10.00 O ATOM 947 ND2 ASN A 63 -20.286 13.153 -13.766 1.00 10.00 N ATOM 0 H ASN A 63 -16.083 13.896 -11.270 1.00 10.00 H new ATOM 0 HA ASN A 63 -17.715 11.882 -12.702 1.00 10.00 H new ATOM 0 HB2 ASN A 63 -18.673 14.277 -12.144 1.00 10.00 H new ATOM 0 HB3 ASN A 63 -17.536 14.827 -13.359 1.00 10.00 H new ATOM 0 HD21 ASN A 63 -20.958 12.865 -14.477 1.00 10.00 H new ATOM 0 HD22 ASN A 63 -20.543 13.123 -12.779 1.00 10.00 H new ATOM 954 N THR A 64 -15.094 13.659 -13.606 1.00 10.00 N ATOM 955 CA THR A 64 -13.782 13.659 -14.275 1.00 10.00 C ATOM 956 C THR A 64 -12.958 12.394 -14.012 1.00 10.00 C ATOM 957 O THR A 64 -12.453 11.715 -14.900 1.00 10.00 O ATOM 958 CB THR A 64 -13.046 14.918 -13.819 1.00 10.00 C ATOM 959 OG1 THR A 64 -11.819 15.075 -14.483 1.00 10.00 O ATOM 960 CG2 THR A 64 -12.835 14.980 -12.309 1.00 10.00 C ATOM 0 H THR A 64 -15.259 14.522 -13.088 1.00 10.00 H new ATOM 0 HA THR A 64 -13.932 13.661 -15.355 1.00 10.00 H new ATOM 0 HB THR A 64 -13.701 15.747 -14.088 1.00 10.00 H new ATOM 0 HG1 THR A 64 -11.259 14.287 -14.325 1.00 10.00 H new ATOM 0 HG21 THR A 64 -12.307 15.899 -12.053 1.00 10.00 H new ATOM 0 HG22 THR A 64 -13.802 14.965 -11.806 1.00 10.00 H new ATOM 0 HG23 THR A 64 -12.245 14.121 -11.988 1.00 10.00 H new ATOM 968 N VAL A 65 -12.985 11.993 -12.754 1.00 10.00 N ATOM 969 CA VAL A 65 -12.475 10.767 -12.134 1.00 10.00 C ATOM 970 C VAL A 65 -12.978 9.479 -12.811 1.00 10.00 C ATOM 971 O VAL A 65 -12.295 8.456 -12.831 1.00 10.00 O ATOM 972 CB VAL A 65 -12.954 10.797 -10.671 1.00 10.00 C ATOM 973 CG1 VAL A 65 -12.075 9.933 -9.772 1.00 10.00 C ATOM 974 CG2 VAL A 65 -12.956 12.198 -10.055 1.00 10.00 C ATOM 0 H VAL A 65 -13.418 12.589 -12.049 1.00 10.00 H new ATOM 0 HA VAL A 65 -11.389 10.746 -12.230 1.00 10.00 H new ATOM 0 HB VAL A 65 -13.975 10.417 -10.719 1.00 10.00 H new ATOM 0 HG11 VAL A 65 -12.445 9.980 -8.748 1.00 10.00 H new ATOM 0 HG12 VAL A 65 -12.102 8.901 -10.121 1.00 10.00 H new ATOM 0 HG13 VAL A 65 -11.049 10.300 -9.805 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -13.305 12.142 -9.024 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -11.945 12.605 -10.074 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -13.619 12.846 -10.627 1.00 10.00 H new ATOM 984 N LYS A 66 -14.169 9.569 -13.411 1.00 10.00 N ATOM 985 CA LYS A 66 -14.954 8.558 -14.117 1.00 10.00 C ATOM 986 C LYS A 66 -15.118 8.882 -15.615 1.00 10.00 C ATOM 987 O LYS A 66 -15.915 8.271 -16.323 1.00 10.00 O ATOM 988 CB LYS A 66 -16.291 8.433 -13.374 1.00 10.00 C ATOM 989 CG LYS A 66 -16.145 7.545 -12.119 1.00 10.00 C ATOM 990 CD LYS A 66 -16.854 8.101 -10.878 1.00 10.00 C ATOM 991 CE LYS A 66 -18.372 8.225 -11.063 1.00 10.00 C ATOM 992 NZ LYS A 66 -18.994 8.893 -9.891 1.00 10.00 N ATOM 0 H LYS A 66 -14.663 10.462 -13.412 1.00 10.00 H new ATOM 0 HA LYS A 66 -14.438 7.598 -14.111 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -16.644 9.423 -13.085 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -17.043 8.008 -14.039 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -16.542 6.554 -12.339 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -15.085 7.421 -11.895 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -16.649 7.452 -10.027 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -16.441 9.081 -10.638 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -18.587 8.794 -11.968 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -18.809 7.235 -11.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -20.025 8.936 -10.022 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -18.777 8.354 -9.029 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -18.616 9.858 -9.800 1.00 10.00 H new ATOM 1006 N VAL A 67 -14.283 9.799 -16.102 1.00 10.00 N ATOM 1007 CA VAL A 67 -14.091 10.241 -17.479 1.00 10.00 C ATOM 1008 C VAL A 67 -12.689 9.895 -17.952 1.00 10.00 C ATOM 1009 O VAL A 67 -12.489 9.522 -19.102 1.00 10.00 O ATOM 1010 CB VAL A 67 -14.401 11.731 -17.545 1.00 10.00 C ATOM 1011 CG1 VAL A 67 -13.792 12.451 -18.726 1.00 10.00 C ATOM 1012 CG2 VAL A 67 -15.909 11.876 -17.505 1.00 10.00 C ATOM 0 H VAL A 67 -13.659 10.303 -15.472 1.00 10.00 H new ATOM 0 HA VAL A 67 -14.769 9.725 -18.159 1.00 10.00 H new ATOM 0 HB VAL A 67 -13.934 12.219 -16.690 1.00 10.00 H new ATOM 0 HG11 VAL A 67 -14.066 13.505 -18.690 1.00 10.00 H new ATOM 0 HG12 VAL A 67 -12.707 12.357 -18.689 1.00 10.00 H new ATOM 0 HG13 VAL A 67 -14.164 12.011 -19.651 1.00 10.00 H new ATOM 0 HG21 VAL A 67 -16.174 12.932 -17.550 1.00 10.00 H new ATOM 0 HG22 VAL A 67 -16.347 11.355 -18.356 1.00 10.00 H new ATOM 0 HG23 VAL A 67 -16.292 11.445 -16.580 1.00 10.00 H new ATOM 1022 N PHE A 68 -11.711 9.925 -17.051 1.00 10.00 N ATOM 1023 CA PHE A 68 -10.399 9.343 -17.295 1.00 10.00 C ATOM 1024 C PHE A 68 -10.594 7.809 -17.444 1.00 10.00 C ATOM 1025 O PHE A 68 -9.795 7.113 -18.053 1.00 10.00 O ATOM 1026 CB PHE A 68 -9.484 9.722 -16.130 1.00 10.00 C ATOM 1027 CG PHE A 68 -9.076 11.187 -16.095 1.00 10.00 C ATOM 1028 CD1 PHE A 68 -8.340 11.749 -17.157 1.00 10.00 C ATOM 1029 CD2 PHE A 68 -9.436 11.997 -15.000 1.00 10.00 C ATOM 1030 CE1 PHE A 68 -7.995 13.114 -17.136 1.00 10.00 C ATOM 1031 CE2 PHE A 68 -9.113 13.365 -14.989 1.00 10.00 C ATOM 1032 CZ PHE A 68 -8.390 13.924 -16.057 1.00 10.00 C ATOM 0 H PHE A 68 -11.808 10.354 -16.131 1.00 10.00 H new ATOM 0 HA PHE A 68 -9.931 9.715 -18.206 1.00 10.00 H new ATOM 0 HB2 PHE A 68 -9.988 9.476 -15.195 1.00 10.00 H new ATOM 0 HB3 PHE A 68 -8.584 9.109 -16.178 1.00 10.00 H new ATOM 0 HD1 PHE A 68 -8.039 11.131 -17.990 1.00 10.00 H new ATOM 0 HD2 PHE A 68 -9.964 11.564 -14.163 1.00 10.00 H new ATOM 0 HE1 PHE A 68 -7.426 13.539 -17.950 1.00 10.00 H new ATOM 0 HE2 PHE A 68 -9.420 13.986 -14.161 1.00 10.00 H new ATOM 0 HZ PHE A 68 -8.138 14.974 -16.049 1.00 10.00 H new