USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 761 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 45 GLN : amide:sc= -0.0605 K(o=-2.7,f=-3.8) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -2.63 K(o=-2.7,f=-6.7!) USER MOD Set 2.1: A 12 LYS NZ :NH3+ 172:sc= -0.0189 (180deg=0) USER MOD Set 2.2: A 16 LYS NZ :NH3+ 170:sc= -0.423 (180deg=-0.568) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.232 K(o=-0.23,f=-1.8!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.608 K(o=-0.61,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.0721 X(o=-0.072,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0248 X(o=-0.025,f=-0.26) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.891 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -2.33 K(o=-2.3,f=-1.5) USER MOD Single : A 47 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 157:sc= -0.0471 (180deg=-0.325) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 90:sc= -2.32 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -0.721 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.473 -5.227 9.125 1.00 0.00 N ATOM 21 CA LEU A 2 -11.327 -5.185 7.943 1.00 0.00 C ATOM 22 C LEU A 2 -10.841 -6.171 6.887 1.00 0.00 C ATOM 23 O LEU A 2 -9.674 -6.564 6.879 1.00 0.00 O ATOM 24 CB LEU A 2 -11.358 -3.771 7.361 1.00 0.00 C ATOM 25 CG LEU A 2 -12.267 -2.786 8.101 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.686 -1.382 8.046 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.669 -2.810 7.513 1.00 0.00 C ATOM 0 HA LEU A 2 -12.336 -5.469 8.243 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.343 -3.373 7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -11.681 -3.829 6.322 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.329 -3.091 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -12.345 -0.695 8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.702 -1.377 8.515 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -11.594 -1.067 7.007 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.301 -2.104 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -13.627 -2.530 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.085 -3.813 7.605 1.00 0.00 H new ATOM 39 N LYS A 3 -11.743 -6.568 5.994 1.00 0.00 N ATOM 40 CA LYS A 3 -11.407 -7.509 4.933 1.00 0.00 C ATOM 41 C LYS A 3 -10.301 -6.950 4.042 1.00 0.00 C ATOM 42 O LYS A 3 -10.201 -5.738 3.847 1.00 0.00 O ATOM 43 CB LYS A 3 -12.645 -7.830 4.094 1.00 0.00 C ATOM 44 CG LYS A 3 -12.838 -9.314 3.833 1.00 0.00 C ATOM 45 CD LYS A 3 -12.142 -9.750 2.554 1.00 0.00 C ATOM 46 CE LYS A 3 -12.847 -9.205 1.323 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.287 -9.770 0.065 1.00 0.00 N ATOM 0 H LYS A 3 -12.713 -6.252 5.985 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.046 -8.427 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.528 -7.442 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.571 -7.309 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.447 -9.886 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.903 -9.537 3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.108 -9.405 2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.114 -10.839 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.911 -9.436 1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.757 -8.119 1.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -12.795 -9.373 -0.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.278 -9.528 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.396 -10.804 0.070 1.00 0.00 H new ATOM 61 N LEU A 4 -9.472 -7.839 3.505 1.00 0.00 N ATOM 62 CA LEU A 4 -8.373 -7.432 2.637 1.00 0.00 C ATOM 63 C LEU A 4 -8.489 -8.088 1.265 1.00 0.00 C ATOM 64 O LEU A 4 -9.093 -9.151 1.122 1.00 0.00 O ATOM 65 CB LEU A 4 -7.031 -7.796 3.274 1.00 0.00 C ATOM 66 CG LEU A 4 -5.798 -7.422 2.450 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.639 -7.050 3.362 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.407 -8.567 1.530 1.00 0.00 C ATOM 0 H LEU A 4 -9.540 -8.846 3.655 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.428 -6.351 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.962 -7.305 4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.013 -8.870 3.458 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.043 -6.555 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.771 -6.787 2.758 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.922 -6.199 3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.393 -7.898 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.528 -8.284 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.180 -9.451 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.232 -8.788 0.853 1.00 0.00 H new ATOM 80 N ASN A 5 -7.905 -7.446 0.258 1.00 0.00 N ATOM 81 CA ASN A 5 -7.939 -7.966 -1.104 1.00 0.00 C ATOM 82 C ASN A 5 -6.599 -7.751 -1.799 1.00 0.00 C ATOM 83 O ASN A 5 -5.720 -7.066 -1.275 1.00 0.00 O ATOM 84 CB ASN A 5 -9.057 -7.290 -1.901 1.00 0.00 C ATOM 85 CG ASN A 5 -9.859 -8.277 -2.726 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.977 -9.449 -2.369 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.414 -7.808 -3.838 1.00 0.00 N ATOM 0 H ASN A 5 -7.402 -6.564 0.360 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.135 -9.037 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.724 -6.768 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.625 -6.537 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.964 -8.427 -4.434 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.290 -6.829 -4.096 1.00 0.00 H new ATOM 94 N LEU A 6 -6.447 -8.342 -2.980 1.00 0.00 N ATOM 95 CA LEU A 6 -5.211 -8.214 -3.744 1.00 0.00 C ATOM 96 C LEU A 6 -5.503 -8.042 -5.230 1.00 0.00 C ATOM 97 O LEU A 6 -6.256 -8.817 -5.819 1.00 0.00 O ATOM 98 CB LEU A 6 -4.323 -9.440 -3.527 1.00 0.00 C ATOM 99 CG LEU A 6 -3.740 -9.574 -2.119 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.620 -10.470 -1.261 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.321 -10.121 -2.178 1.00 0.00 C ATOM 0 H LEU A 6 -7.163 -8.913 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.687 -7.326 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.904 -10.335 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.501 -9.406 -4.243 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.709 -8.584 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.190 -10.554 -0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.619 -10.039 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.683 -11.460 -1.714 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.923 -10.209 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.329 -11.102 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.694 -9.443 -2.757 1.00 0.00 H new ATOM 113 N LYS A 7 -4.901 -7.022 -5.833 1.00 0.00 N ATOM 114 CA LYS A 7 -5.095 -6.750 -7.252 1.00 0.00 C ATOM 115 C LYS A 7 -3.907 -7.250 -8.068 1.00 0.00 C ATOM 116 O LYS A 7 -2.874 -7.624 -7.513 1.00 0.00 O ATOM 117 CB LYS A 7 -5.290 -5.250 -7.483 1.00 0.00 C ATOM 118 CG LYS A 7 -6.609 -4.717 -6.944 1.00 0.00 C ATOM 119 CD LYS A 7 -7.786 -5.205 -7.771 1.00 0.00 C ATOM 120 CE LYS A 7 -7.886 -4.464 -9.095 1.00 0.00 C ATOM 121 NZ LYS A 7 -7.633 -5.363 -10.256 1.00 0.00 N ATOM 0 H LYS A 7 -4.275 -6.370 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.989 -7.281 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.469 -4.709 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.235 -5.045 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.735 -5.033 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.590 -3.627 -6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.681 -6.274 -7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.709 -5.069 -7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.877 -4.020 -9.189 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.168 -3.644 -9.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.711 -4.819 -11.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.678 -5.767 -10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.334 -6.131 -10.260 1.00 0.00 H new ATOM 135 N LYS A 8 -4.061 -7.256 -9.388 1.00 0.00 N ATOM 136 CA LYS A 8 -3.001 -7.711 -10.281 1.00 0.00 C ATOM 137 C LYS A 8 -1.733 -6.886 -10.089 1.00 0.00 C ATOM 138 O LYS A 8 -0.624 -7.380 -10.287 1.00 0.00 O ATOM 139 CB LYS A 8 -3.462 -7.627 -11.737 1.00 0.00 C ATOM 140 CG LYS A 8 -4.190 -8.872 -12.220 1.00 0.00 C ATOM 141 CD LYS A 8 -5.645 -8.577 -12.555 1.00 0.00 C ATOM 142 CE LYS A 8 -6.575 -9.020 -11.437 1.00 0.00 C ATOM 143 NZ LYS A 8 -7.256 -10.305 -11.756 1.00 0.00 N ATOM 0 H LYS A 8 -4.910 -6.951 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.776 -8.749 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.119 -6.765 -11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.595 -7.454 -12.374 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.687 -9.269 -13.101 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.142 -9.643 -11.451 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.769 -7.509 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.917 -9.086 -13.479 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.006 -9.130 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.323 -8.247 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.881 -10.572 -10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.820 -10.193 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.544 -11.049 -11.900 1.00 0.00 H new ATOM 157 N SER A 9 -1.905 -5.625 -9.703 1.00 0.00 N ATOM 158 CA SER A 9 -0.773 -4.731 -9.486 1.00 0.00 C ATOM 159 C SER A 9 -0.089 -5.028 -8.156 1.00 0.00 C ATOM 160 O SER A 9 1.110 -5.298 -8.109 1.00 0.00 O ATOM 161 CB SER A 9 -1.236 -3.273 -9.523 1.00 0.00 C ATOM 162 OG SER A 9 -1.695 -2.916 -10.816 1.00 0.00 O ATOM 0 H SER A 9 -2.817 -5.200 -9.534 1.00 0.00 H new ATOM 0 HA SER A 9 -0.052 -4.897 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.034 -3.123 -8.796 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.413 -2.619 -9.232 1.00 0.00 H new ATOM 0 HG SER A 9 -1.987 -1.980 -10.813 1.00 0.00 H new ATOM 168 N PHE A 10 -0.861 -4.973 -7.074 1.00 0.00 N ATOM 169 CA PHE A 10 -0.329 -5.235 -5.741 1.00 0.00 C ATOM 170 C PHE A 10 0.290 -6.627 -5.662 1.00 0.00 C ATOM 171 O PHE A 10 1.268 -6.843 -4.946 1.00 0.00 O ATOM 172 CB PHE A 10 -1.434 -5.099 -4.692 1.00 0.00 C ATOM 173 CG PHE A 10 -0.933 -5.180 -3.278 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.424 -4.058 -2.644 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.970 -6.378 -2.583 1.00 0.00 C ATOM 176 CE1 PHE A 10 0.038 -4.129 -1.343 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.510 -6.456 -1.282 1.00 0.00 C ATOM 178 CZ PHE A 10 -0.005 -5.330 -0.662 1.00 0.00 C ATOM 0 H PHE A 10 -1.856 -4.750 -7.095 1.00 0.00 H new ATOM 0 HA PHE A 10 0.449 -4.499 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.943 -4.146 -4.834 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.174 -5.883 -4.852 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.388 -3.117 -3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.363 -7.262 -3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.432 -3.247 -0.860 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.545 -7.396 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.356 -5.388 0.354 1.00 0.00 H new ATOM 188 N GLN A 11 -0.288 -7.568 -6.401 1.00 0.00 N ATOM 189 CA GLN A 11 0.204 -8.941 -6.413 1.00 0.00 C ATOM 190 C GLN A 11 1.639 -9.005 -6.924 1.00 0.00 C ATOM 191 O GLN A 11 2.473 -9.724 -6.372 1.00 0.00 O ATOM 192 CB GLN A 11 -0.698 -9.819 -7.283 1.00 0.00 C ATOM 193 CG GLN A 11 -1.936 -10.322 -6.560 1.00 0.00 C ATOM 194 CD GLN A 11 -2.763 -11.269 -7.409 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.728 -12.484 -7.218 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.513 -10.715 -8.355 1.00 0.00 N ATOM 0 H GLN A 11 -1.098 -7.405 -7.000 1.00 0.00 H new ATOM 0 HA GLN A 11 0.188 -9.313 -5.389 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.006 -9.252 -8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.124 -10.674 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.636 -10.830 -5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.551 -9.472 -6.266 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.512 -9.703 -8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.090 -11.302 -8.957 1.00 0.00 H new ATOM 205 N LYS A 12 1.921 -8.254 -7.984 1.00 0.00 N ATOM 206 CA LYS A 12 3.257 -8.234 -8.571 1.00 0.00 C ATOM 207 C LYS A 12 4.132 -7.148 -7.941 1.00 0.00 C ATOM 208 O LYS A 12 5.353 -7.162 -8.078 1.00 0.00 O ATOM 209 CB LYS A 12 3.168 -8.015 -10.082 1.00 0.00 C ATOM 210 CG LYS A 12 2.110 -8.871 -10.760 1.00 0.00 C ATOM 211 CD LYS A 12 1.838 -8.401 -12.179 1.00 0.00 C ATOM 212 CE LYS A 12 1.275 -9.520 -13.040 1.00 0.00 C ATOM 213 NZ LYS A 12 2.349 -10.283 -13.734 1.00 0.00 N ATOM 0 H LYS A 12 1.244 -7.652 -8.453 1.00 0.00 H new ATOM 0 HA LYS A 12 3.720 -9.200 -8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.953 -6.964 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.138 -8.229 -10.530 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.437 -9.911 -10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.187 -8.837 -10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.135 -7.568 -12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.761 -8.029 -12.623 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.692 -10.199 -12.417 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.592 -9.101 -13.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.937 -11.116 -14.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.801 -9.676 -14.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.060 -10.591 -13.040 1.00 0.00 H new ATOM 227 N ASP A 13 3.500 -6.206 -7.255 1.00 0.00 N ATOM 228 CA ASP A 13 4.221 -5.115 -6.607 1.00 0.00 C ATOM 229 C ASP A 13 4.600 -5.470 -5.170 1.00 0.00 C ATOM 230 O ASP A 13 5.377 -4.762 -4.531 1.00 0.00 O ATOM 231 CB ASP A 13 3.376 -3.839 -6.621 1.00 0.00 C ATOM 232 CG ASP A 13 3.686 -2.955 -7.813 1.00 0.00 C ATOM 233 OD1 ASP A 13 4.841 -2.489 -7.923 1.00 0.00 O ATOM 234 OD2 ASP A 13 2.776 -2.727 -8.637 1.00 0.00 O ATOM 0 H ASP A 13 2.488 -6.174 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 13 5.140 -4.947 -7.168 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.319 -4.106 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.551 -3.280 -5.702 1.00 0.00 H new ATOM 239 N PHE A 14 4.041 -6.564 -4.665 1.00 0.00 N ATOM 240 CA PHE A 14 4.314 -7.004 -3.305 1.00 0.00 C ATOM 241 C PHE A 14 5.496 -7.961 -3.263 1.00 0.00 C ATOM 242 O PHE A 14 6.543 -7.642 -2.709 1.00 0.00 O ATOM 243 CB PHE A 14 3.077 -7.673 -2.703 1.00 0.00 C ATOM 244 CG PHE A 14 3.270 -8.124 -1.282 1.00 0.00 C ATOM 245 CD1 PHE A 14 3.973 -9.284 -0.999 1.00 0.00 C ATOM 246 CD2 PHE A 14 2.746 -7.388 -0.231 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.151 -9.701 0.306 1.00 0.00 C ATOM 248 CE2 PHE A 14 2.921 -7.800 1.076 1.00 0.00 C ATOM 249 CZ PHE A 14 3.625 -8.958 1.346 1.00 0.00 C ATOM 0 H PHE A 14 3.395 -7.162 -5.180 1.00 0.00 H new ATOM 0 HA PHE A 14 4.567 -6.124 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.240 -6.975 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.805 -8.533 -3.315 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.386 -9.869 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.195 -6.482 -0.436 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.701 -10.607 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.508 -7.217 1.886 1.00 0.00 H new ATOM 0 HZ PHE A 14 3.764 -9.282 2.367 1.00 0.00 H new ATOM 259 N ASP A 15 5.315 -9.145 -3.835 1.00 0.00 N ATOM 260 CA ASP A 15 6.363 -10.159 -3.851 1.00 0.00 C ATOM 261 C ASP A 15 7.245 -10.053 -5.092 1.00 0.00 C ATOM 262 O ASP A 15 8.438 -10.351 -5.034 1.00 0.00 O ATOM 263 CB ASP A 15 5.746 -11.556 -3.771 1.00 0.00 C ATOM 264 CG ASP A 15 6.757 -12.611 -3.370 1.00 0.00 C ATOM 265 OD1 ASP A 15 7.961 -12.409 -3.629 1.00 0.00 O ATOM 266 OD2 ASP A 15 6.344 -13.639 -2.793 1.00 0.00 O ATOM 0 H ASP A 15 4.450 -9.428 -4.295 1.00 0.00 H new ATOM 0 HA ASP A 15 6.995 -9.986 -2.980 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.928 -11.548 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.317 -11.817 -4.738 1.00 0.00 H new ATOM 271 N LYS A 16 6.663 -9.642 -6.218 1.00 0.00 N ATOM 272 CA LYS A 16 7.430 -9.524 -7.456 1.00 0.00 C ATOM 273 C LYS A 16 8.336 -8.299 -7.421 1.00 0.00 C ATOM 274 O LYS A 16 9.392 -8.283 -8.053 1.00 0.00 O ATOM 275 CB LYS A 16 6.498 -9.464 -8.666 1.00 0.00 C ATOM 276 CG LYS A 16 6.575 -10.696 -9.556 1.00 0.00 C ATOM 277 CD LYS A 16 5.321 -10.851 -10.403 1.00 0.00 C ATOM 278 CE LYS A 16 4.738 -12.251 -10.287 1.00 0.00 C ATOM 279 NZ LYS A 16 3.281 -12.274 -10.597 1.00 0.00 N ATOM 0 H LYS A 16 5.678 -9.389 -6.299 1.00 0.00 H new ATOM 0 HA LYS A 16 8.058 -10.410 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.472 -9.341 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.742 -8.582 -9.259 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.447 -10.623 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.711 -11.584 -8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.577 -10.119 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.557 -10.639 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.264 -12.921 -10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.900 -12.629 -9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.958 -13.260 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.757 -11.795 -9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.110 -11.783 -11.498 1.00 0.00 H new ATOM 293 N LEU A 17 7.927 -7.282 -6.669 1.00 0.00 N ATOM 294 CA LEU A 17 8.718 -6.071 -6.546 1.00 0.00 C ATOM 295 C LEU A 17 9.963 -6.355 -5.723 1.00 0.00 C ATOM 296 O LEU A 17 11.036 -5.811 -5.986 1.00 0.00 O ATOM 297 CB LEU A 17 7.893 -4.965 -5.886 1.00 0.00 C ATOM 298 CG LEU A 17 8.689 -3.744 -5.439 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.270 -3.012 -6.638 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.817 -2.811 -4.611 1.00 0.00 C ATOM 0 H LEU A 17 7.055 -7.276 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 17 9.014 -5.737 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.123 -4.641 -6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.381 -5.383 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 17 9.516 -4.084 -4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.834 -2.144 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.932 -3.682 -7.187 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.461 -2.685 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.402 -1.945 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.968 -2.480 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.455 -3.339 -3.729 1.00 0.00 H new ATOM 312 N LEU A 18 9.809 -7.221 -4.726 1.00 0.00 N ATOM 313 CA LEU A 18 10.924 -7.589 -3.857 1.00 0.00 C ATOM 314 C LEU A 18 12.072 -8.173 -4.673 1.00 0.00 C ATOM 315 O LEU A 18 13.243 -7.998 -4.334 1.00 0.00 O ATOM 316 CB LEU A 18 10.473 -8.601 -2.798 1.00 0.00 C ATOM 317 CG LEU A 18 9.651 -8.036 -1.630 1.00 0.00 C ATOM 318 CD1 LEU A 18 8.971 -6.726 -2.008 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.627 -9.059 -1.158 1.00 0.00 C ATOM 0 H LEU A 18 8.927 -7.680 -4.499 1.00 0.00 H new ATOM 0 HA LEU A 18 11.272 -6.686 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.883 -9.373 -3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.359 -9.088 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 18 10.337 -7.825 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.398 -6.355 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.726 -5.991 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.301 -6.894 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.053 -8.644 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.954 -9.305 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.140 -9.962 -0.826 1.00 0.00 H new ATOM 331 N LEU A 19 11.727 -8.870 -5.751 1.00 0.00 N ATOM 332 CA LEU A 19 12.724 -9.485 -6.621 1.00 0.00 C ATOM 333 C LEU A 19 13.154 -8.533 -7.739 1.00 0.00 C ATOM 334 O LEU A 19 14.076 -8.833 -8.496 1.00 0.00 O ATOM 335 CB LEU A 19 12.171 -10.777 -7.226 1.00 0.00 C ATOM 336 CG LEU A 19 12.326 -12.021 -6.349 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.152 -12.966 -6.552 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.639 -12.727 -6.651 1.00 0.00 C ATOM 0 H LEU A 19 10.762 -9.023 -6.044 1.00 0.00 H new ATOM 0 HA LEU A 19 13.600 -9.713 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.113 -10.634 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.671 -10.958 -8.178 1.00 0.00 H new ATOM 0 HG LEU A 19 12.338 -11.707 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.279 -13.845 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.225 -12.458 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.109 -13.273 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.732 -13.609 -6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.658 -13.028 -7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.470 -12.050 -6.454 1.00 0.00 H new ATOM 350 N ASN A 20 12.482 -7.389 -7.841 1.00 0.00 N ATOM 351 CA ASN A 20 12.802 -6.406 -8.871 1.00 0.00 C ATOM 352 C ASN A 20 13.735 -5.325 -8.332 1.00 0.00 C ATOM 353 O ASN A 20 13.737 -4.195 -8.821 1.00 0.00 O ATOM 354 CB ASN A 20 11.522 -5.767 -9.411 1.00 0.00 C ATOM 355 CG ASN A 20 11.616 -5.446 -10.890 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.543 -4.284 -11.290 1.00 0.00 O ATOM 357 ND2 ASN A 20 11.778 -6.478 -11.710 1.00 0.00 N ATOM 0 H ASN A 20 11.715 -7.121 -7.225 1.00 0.00 H new ATOM 0 HA ASN A 20 13.313 -6.926 -9.681 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.683 -6.441 -9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 20 11.314 -4.852 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.847 -6.324 -12.716 1.00 0.00 H new ATOM 0 HD22 ASN A 20 11.833 -7.424 -11.334 1.00 0.00 H new ATOM 364 N GLY A 21 14.529 -5.677 -7.325 1.00 0.00 N ATOM 365 CA GLY A 21 15.456 -4.723 -6.744 1.00 0.00 C ATOM 366 C GLY A 21 14.897 -4.039 -5.511 1.00 0.00 C ATOM 367 O GLY A 21 15.339 -2.949 -5.148 1.00 0.00 O ATOM 0 H GLY A 21 14.547 -6.605 -6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.381 -5.236 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.709 -3.969 -7.489 1.00 0.00 H new ATOM 371 N PHE A 22 13.930 -4.679 -4.862 1.00 0.00 N ATOM 372 CA PHE A 22 13.320 -4.120 -3.660 1.00 0.00 C ATOM 373 C PHE A 22 13.585 -5.014 -2.453 1.00 0.00 C ATOM 374 O PHE A 22 13.246 -6.198 -2.457 1.00 0.00 O ATOM 375 CB PHE A 22 11.812 -3.941 -3.860 1.00 0.00 C ATOM 376 CG PHE A 22 11.125 -3.308 -2.684 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.945 -4.018 -1.507 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.660 -2.005 -2.754 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.314 -3.437 -0.422 1.00 0.00 C ATOM 380 CE2 PHE A 22 10.028 -1.421 -1.674 1.00 0.00 C ATOM 381 CZ PHE A 22 9.854 -2.138 -0.505 1.00 0.00 C ATOM 0 H PHE A 22 13.552 -5.583 -5.147 1.00 0.00 H new ATOM 0 HA PHE A 22 13.769 -3.145 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.641 -3.328 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.361 -4.914 -4.054 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.301 -5.035 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.793 -1.439 -3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.181 -4.000 0.490 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.670 -0.404 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.360 -1.683 0.341 1.00 0.00 H new ATOM 391 N ASP A 23 14.195 -4.440 -1.420 1.00 0.00 N ATOM 392 CA ASP A 23 14.508 -5.185 -0.205 1.00 0.00 C ATOM 393 C ASP A 23 13.233 -5.596 0.525 1.00 0.00 C ATOM 394 O ASP A 23 12.360 -4.768 0.783 1.00 0.00 O ATOM 395 CB ASP A 23 15.391 -4.346 0.720 1.00 0.00 C ATOM 396 CG ASP A 23 16.207 -5.200 1.671 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.832 -6.371 1.888 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.221 -4.696 2.199 1.00 0.00 O ATOM 0 H ASP A 23 14.482 -3.461 -1.400 1.00 0.00 H new ATOM 0 HA ASP A 23 15.048 -6.087 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.063 -3.733 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.765 -3.663 1.295 1.00 0.00 H new ATOM 403 N ASP A 24 13.133 -6.879 0.854 1.00 0.00 N ATOM 404 CA ASP A 24 11.963 -7.401 1.554 1.00 0.00 C ATOM 405 C ASP A 24 12.007 -7.068 3.045 1.00 0.00 C ATOM 406 O ASP A 24 11.072 -7.379 3.784 1.00 0.00 O ATOM 407 CB ASP A 24 11.865 -8.915 1.364 1.00 0.00 C ATOM 408 CG ASP A 24 13.135 -9.633 1.775 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.157 -9.482 1.074 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.107 -10.347 2.799 1.00 0.00 O ATOM 0 H ASP A 24 13.847 -7.577 0.648 1.00 0.00 H new ATOM 0 HA ASP A 24 11.081 -6.924 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.029 -9.298 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.649 -9.134 0.318 1.00 0.00 H new ATOM 415 N SER A 25 13.092 -6.436 3.488 1.00 0.00 N ATOM 416 CA SER A 25 13.241 -6.069 4.893 1.00 0.00 C ATOM 417 C SER A 25 12.506 -4.768 5.202 1.00 0.00 C ATOM 418 O SER A 25 12.084 -4.539 6.335 1.00 0.00 O ATOM 419 CB SER A 25 14.721 -5.930 5.249 1.00 0.00 C ATOM 420 OG SER A 25 14.886 -5.308 6.513 1.00 0.00 O ATOM 0 H SER A 25 13.878 -6.168 2.896 1.00 0.00 H new ATOM 0 HA SER A 25 12.800 -6.862 5.497 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.189 -6.914 5.261 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.229 -5.344 4.483 1.00 0.00 H new ATOM 0 HG SER A 25 15.841 -5.232 6.718 1.00 0.00 H new ATOM 426 N VAL A 26 12.360 -3.917 4.190 1.00 0.00 N ATOM 427 CA VAL A 26 11.678 -2.640 4.359 1.00 0.00 C ATOM 428 C VAL A 26 10.163 -2.807 4.314 1.00 0.00 C ATOM 429 O VAL A 26 9.432 -2.128 5.034 1.00 0.00 O ATOM 430 CB VAL A 26 12.102 -1.630 3.277 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.542 -0.249 3.585 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.618 -1.583 3.154 1.00 0.00 C ATOM 0 H VAL A 26 12.705 -4.090 3.246 1.00 0.00 H new ATOM 0 HA VAL A 26 11.967 -2.259 5.339 1.00 0.00 H new ATOM 0 HB VAL A 26 11.693 -1.957 2.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.852 0.451 2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.453 -0.296 3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.918 0.089 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.898 -0.864 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.051 -1.282 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.992 -2.570 2.882 1.00 0.00 H new ATOM 442 N LEU A 27 9.697 -3.715 3.461 1.00 0.00 N ATOM 443 CA LEU A 27 8.268 -3.970 3.321 1.00 0.00 C ATOM 444 C LEU A 27 7.648 -4.364 4.658 1.00 0.00 C ATOM 445 O LEU A 27 6.518 -3.985 4.967 1.00 0.00 O ATOM 446 CB LEU A 27 8.029 -5.071 2.283 1.00 0.00 C ATOM 447 CG LEU A 27 8.250 -6.503 2.779 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.986 -7.047 3.427 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.692 -7.401 1.632 1.00 0.00 C ATOM 0 H LEU A 27 10.288 -4.286 2.857 1.00 0.00 H new ATOM 0 HA LEU A 27 7.790 -3.051 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.006 -4.986 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.687 -4.894 1.433 1.00 0.00 H new ATOM 0 HG LEU A 27 9.040 -6.489 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.164 -8.065 3.773 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.712 -6.419 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.175 -7.047 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.845 -8.415 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.924 -7.409 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.625 -7.023 1.213 1.00 0.00 H new ATOM 461 N ASN A 28 8.396 -5.128 5.446 1.00 0.00 N ATOM 462 CA ASN A 28 7.922 -5.576 6.751 1.00 0.00 C ATOM 463 C ASN A 28 7.558 -4.390 7.644 1.00 0.00 C ATOM 464 O ASN A 28 6.755 -4.523 8.568 1.00 0.00 O ATOM 465 CB ASN A 28 8.988 -6.436 7.434 1.00 0.00 C ATOM 466 CG ASN A 28 8.417 -7.719 8.004 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.284 -7.749 8.486 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.200 -8.791 7.953 1.00 0.00 N ATOM 0 H ASN A 28 9.333 -5.450 5.204 1.00 0.00 H new ATOM 0 HA ASN A 28 7.024 -6.174 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.771 -6.678 6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.456 -5.863 8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.869 -9.682 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.132 -8.723 7.545 1.00 0.00 H new ATOM 475 N GLU A 29 8.151 -3.235 7.362 1.00 0.00 N ATOM 476 CA GLU A 29 7.886 -2.031 8.144 1.00 0.00 C ATOM 477 C GLU A 29 6.559 -1.394 7.740 1.00 0.00 C ATOM 478 O GLU A 29 5.846 -0.844 8.579 1.00 0.00 O ATOM 479 CB GLU A 29 9.023 -1.023 7.968 1.00 0.00 C ATOM 480 CG GLU A 29 10.303 -1.419 8.686 1.00 0.00 C ATOM 481 CD GLU A 29 11.545 -0.883 8.001 1.00 0.00 C ATOM 482 OE1 GLU A 29 11.675 0.355 7.891 1.00 0.00 O ATOM 483 OE2 GLU A 29 12.388 -1.700 7.577 1.00 0.00 O ATOM 0 H GLU A 29 8.817 -3.106 6.600 1.00 0.00 H new ATOM 0 HA GLU A 29 7.822 -2.319 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.233 -0.907 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.696 -0.051 8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.270 -1.049 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.363 -2.506 8.741 1.00 0.00 H new ATOM 490 N VAL A 30 6.234 -1.469 6.455 1.00 0.00 N ATOM 491 CA VAL A 30 4.993 -0.896 5.947 1.00 0.00 C ATOM 492 C VAL A 30 3.855 -1.913 5.993 1.00 0.00 C ATOM 493 O VAL A 30 2.737 -1.589 6.393 1.00 0.00 O ATOM 494 CB VAL A 30 5.158 -0.379 4.502 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.522 -1.515 3.560 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.892 0.321 4.036 1.00 0.00 C ATOM 0 H VAL A 30 6.812 -1.921 5.746 1.00 0.00 H new ATOM 0 HA VAL A 30 4.746 -0.055 6.595 1.00 0.00 H new ATOM 0 HB VAL A 30 5.973 0.345 4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.633 -1.127 2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.461 -1.967 3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.733 -2.267 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.028 0.678 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.057 -0.379 4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.681 1.166 4.691 1.00 0.00 H new ATOM 506 N ILE A 31 4.147 -3.145 5.588 1.00 0.00 N ATOM 507 CA ILE A 31 3.146 -4.208 5.590 1.00 0.00 C ATOM 508 C ILE A 31 2.584 -4.421 6.996 1.00 0.00 C ATOM 509 O ILE A 31 1.413 -4.761 7.159 1.00 0.00 O ATOM 510 CB ILE A 31 3.736 -5.536 5.046 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.519 -5.632 3.534 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.121 -6.745 5.741 1.00 0.00 C ATOM 513 CD1 ILE A 31 4.095 -4.467 2.760 1.00 0.00 C ATOM 0 H ILE A 31 5.067 -3.432 5.255 1.00 0.00 H new ATOM 0 HA ILE A 31 2.335 -3.898 4.931 1.00 0.00 H new ATOM 0 HB ILE A 31 4.806 -5.536 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.968 -6.556 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.450 -5.697 3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.557 -7.658 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.322 -6.691 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.044 -6.752 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.902 -4.606 1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.628 -3.541 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.170 -4.414 2.930 1.00 0.00 H new ATOM 525 N LEU A 32 3.425 -4.216 8.005 1.00 0.00 N ATOM 526 CA LEU A 32 3.009 -4.385 9.392 1.00 0.00 C ATOM 527 C LEU A 32 1.861 -3.439 9.728 1.00 0.00 C ATOM 528 O LEU A 32 0.796 -3.874 10.161 1.00 0.00 O ATOM 529 CB LEU A 32 4.208 -4.168 10.337 1.00 0.00 C ATOM 530 CG LEU A 32 3.962 -3.280 11.565 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.758 -3.789 12.757 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.322 -1.832 11.259 1.00 0.00 C ATOM 0 H LEU A 32 4.398 -3.933 7.888 1.00 0.00 H new ATOM 0 HA LEU A 32 2.648 -5.404 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.549 -5.143 10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.023 -3.732 9.759 1.00 0.00 H new ATOM 0 HG LEU A 32 2.902 -3.323 11.815 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.572 -3.148 13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.452 -4.809 12.990 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.821 -3.775 12.517 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.141 -1.218 12.141 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.375 -1.769 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.708 -1.471 10.434 1.00 0.00 H new ATOM 544 N THR A 33 2.087 -2.147 9.527 1.00 0.00 N ATOM 545 CA THR A 33 1.071 -1.143 9.817 1.00 0.00 C ATOM 546 C THR A 33 -0.231 -1.437 9.073 1.00 0.00 C ATOM 547 O THR A 33 -1.304 -1.000 9.492 1.00 0.00 O ATOM 548 CB THR A 33 1.582 0.251 9.447 1.00 0.00 C ATOM 549 OG1 THR A 33 2.768 0.557 10.159 1.00 0.00 O ATOM 550 CG2 THR A 33 0.582 1.352 9.729 1.00 0.00 C ATOM 0 H THR A 33 2.963 -1.770 9.165 1.00 0.00 H new ATOM 0 HA THR A 33 0.865 -1.177 10.887 1.00 0.00 H new ATOM 0 HB THR A 33 1.764 0.214 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.079 1.451 9.907 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.009 2.313 9.443 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.327 1.174 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.343 1.363 10.792 1.00 0.00 H new ATOM 558 N LEU A 34 -0.133 -2.171 7.970 1.00 0.00 N ATOM 559 CA LEU A 34 -1.307 -2.513 7.174 1.00 0.00 C ATOM 560 C LEU A 34 -1.978 -3.780 7.696 1.00 0.00 C ATOM 561 O LEU A 34 -3.201 -3.912 7.644 1.00 0.00 O ATOM 562 CB LEU A 34 -0.917 -2.698 5.707 1.00 0.00 C ATOM 563 CG LEU A 34 -0.150 -1.529 5.089 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.571 -1.973 3.826 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.092 -0.373 4.789 1.00 0.00 C ATOM 0 H LEU A 34 0.746 -2.540 7.607 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.018 -1.691 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.309 -3.598 5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.823 -2.867 5.125 1.00 0.00 H new ATOM 0 HG LEU A 34 0.595 -1.187 5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.112 -1.128 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.275 -2.769 4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.156 -2.341 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.529 0.450 4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.860 -0.702 4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.563 -0.038 5.713 1.00 0.00 H new ATOM 577 N ARG A 35 -1.172 -4.710 8.195 1.00 0.00 N ATOM 578 CA ARG A 35 -1.690 -5.970 8.720 1.00 0.00 C ATOM 579 C ARG A 35 -1.691 -5.980 10.247 1.00 0.00 C ATOM 580 O ARG A 35 -1.726 -7.043 10.868 1.00 0.00 O ATOM 581 CB ARG A 35 -0.860 -7.143 8.197 1.00 0.00 C ATOM 582 CG ARG A 35 -0.742 -7.180 6.682 1.00 0.00 C ATOM 583 CD ARG A 35 -0.697 -8.607 6.161 1.00 0.00 C ATOM 584 NE ARG A 35 -1.475 -8.768 4.936 1.00 0.00 N ATOM 585 CZ ARG A 35 -1.909 -9.942 4.481 1.00 0.00 C ATOM 586 NH1 ARG A 35 -1.641 -11.059 5.145 1.00 0.00 N ATOM 587 NH2 ARG A 35 -2.610 -9.998 3.356 1.00 0.00 N ATOM 0 H ARG A 35 -0.158 -4.616 8.248 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.720 -6.073 8.377 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.139 -7.091 8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.308 -8.075 8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.588 -6.656 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.159 -6.650 6.373 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.338 -8.891 5.973 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.080 -9.284 6.925 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.699 -7.932 4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.100 -11.021 6.009 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.976 -11.955 4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.816 -9.142 2.840 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.943 -10.897 3.007 1.00 0.00 H new ATOM 601 N LYS A 36 -1.645 -4.796 10.853 1.00 0.00 N ATOM 602 CA LYS A 36 -1.635 -4.688 12.309 1.00 0.00 C ATOM 603 C LYS A 36 -2.877 -3.979 12.830 1.00 0.00 C ATOM 604 O LYS A 36 -2.879 -3.458 13.945 1.00 0.00 O ATOM 605 CB LYS A 36 -0.393 -3.941 12.772 1.00 0.00 C ATOM 606 CG LYS A 36 0.775 -4.857 13.084 1.00 0.00 C ATOM 607 CD LYS A 36 0.809 -5.231 14.556 1.00 0.00 C ATOM 608 CE LYS A 36 2.074 -4.721 15.228 1.00 0.00 C ATOM 609 NZ LYS A 36 1.826 -4.291 16.631 1.00 0.00 N ATOM 0 H LYS A 36 -1.614 -3.903 10.361 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.627 -5.701 12.711 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.094 -3.233 11.999 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.637 -3.359 13.661 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.702 -5.761 12.479 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.708 -4.365 12.811 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.065 -4.816 15.059 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.752 -6.315 14.659 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.831 -5.505 15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.475 -3.883 14.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.714 -3.951 17.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.123 -3.525 16.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.468 -5.097 17.183 1.00 0.00 H new ATOM 623 N LYS A 37 -3.928 -3.964 12.021 1.00 0.00 N ATOM 624 CA LYS A 37 -5.186 -3.321 12.397 1.00 0.00 C ATOM 625 C LYS A 37 -4.946 -1.959 13.046 1.00 0.00 C ATOM 626 O LYS A 37 -5.713 -1.526 13.904 1.00 0.00 O ATOM 627 CB LYS A 37 -5.981 -4.223 13.349 1.00 0.00 C ATOM 628 CG LYS A 37 -5.172 -4.743 14.529 1.00 0.00 C ATOM 629 CD LYS A 37 -6.038 -5.543 15.489 1.00 0.00 C ATOM 630 CE LYS A 37 -6.589 -4.667 16.602 1.00 0.00 C ATOM 631 NZ LYS A 37 -5.600 -4.474 17.699 1.00 0.00 N ATOM 0 H LYS A 37 -3.937 -4.391 11.095 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.763 -3.163 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.840 -3.668 13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.372 -5.072 12.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.357 -5.369 14.165 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.719 -3.905 15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.863 -6.000 14.942 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.452 -6.355 15.920 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.872 -3.697 16.194 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.495 -5.120 17.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.015 -3.871 18.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.349 -5.397 18.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.745 -4.019 17.320 1.00 0.00 H new ATOM 645 N GLU A 38 -3.875 -1.291 12.627 1.00 0.00 N ATOM 646 CA GLU A 38 -3.535 0.019 13.167 1.00 0.00 C ATOM 647 C GLU A 38 -4.115 1.134 12.298 1.00 0.00 C ATOM 648 O GLU A 38 -4.029 1.082 11.071 1.00 0.00 O ATOM 649 CB GLU A 38 -2.015 0.173 13.265 1.00 0.00 C ATOM 650 CG GLU A 38 -1.562 1.006 14.453 1.00 0.00 C ATOM 651 CD GLU A 38 -0.318 0.449 15.114 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.624 0.072 14.384 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.284 0.389 16.361 1.00 0.00 O ATOM 0 H GLU A 38 -3.229 -1.636 11.916 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.968 0.097 14.164 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.562 -0.816 13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.645 0.632 12.348 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.368 2.027 14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.367 1.055 15.186 1.00 0.00 H new ATOM 660 N PRO A 39 -4.717 2.164 12.922 1.00 0.00 N ATOM 661 CA PRO A 39 -5.310 3.288 12.193 1.00 0.00 C ATOM 662 C PRO A 39 -4.254 4.240 11.639 1.00 0.00 C ATOM 663 O PRO A 39 -3.276 4.559 12.315 1.00 0.00 O ATOM 664 CB PRO A 39 -6.155 3.987 13.256 1.00 0.00 C ATOM 665 CG PRO A 39 -5.466 3.685 14.541 1.00 0.00 C ATOM 666 CD PRO A 39 -4.868 2.313 14.383 1.00 0.00 C ATOM 0 HA PRO A 39 -5.879 2.959 11.324 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.208 5.061 13.077 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.179 3.613 13.258 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -4.694 4.425 14.752 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.168 3.710 15.375 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -3.909 2.233 14.895 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.517 1.543 14.799 1.00 0.00 H new ATOM 674 N LEU A 40 -4.459 4.692 10.407 1.00 0.00 N ATOM 675 CA LEU A 40 -3.524 5.608 9.764 1.00 0.00 C ATOM 676 C LEU A 40 -3.904 7.059 10.049 1.00 0.00 C ATOM 677 O LEU A 40 -5.033 7.477 9.795 1.00 0.00 O ATOM 678 CB LEU A 40 -3.493 5.363 8.253 1.00 0.00 C ATOM 679 CG LEU A 40 -2.648 4.170 7.809 1.00 0.00 C ATOM 680 CD1 LEU A 40 -2.881 3.871 6.335 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.174 4.433 8.075 1.00 0.00 C ATOM 0 H LEU A 40 -5.264 4.439 9.834 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.531 5.423 10.174 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.515 5.216 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.114 6.260 7.762 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.951 3.298 8.388 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.271 3.018 6.036 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.934 3.639 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.605 4.741 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.587 3.573 7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.857 5.317 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.021 4.598 9.141 1.00 0.00 H new ATOM 693 N ASP A 41 -2.952 7.820 10.579 1.00 0.00 N ATOM 694 CA ASP A 41 -3.186 9.223 10.901 1.00 0.00 C ATOM 695 C ASP A 41 -3.346 10.053 9.629 1.00 0.00 C ATOM 696 O ASP A 41 -2.848 9.681 8.567 1.00 0.00 O ATOM 697 CB ASP A 41 -2.031 9.773 11.741 1.00 0.00 C ATOM 698 CG ASP A 41 -1.865 9.029 13.051 1.00 0.00 C ATOM 699 OD1 ASP A 41 -2.622 9.322 14.000 1.00 0.00 O ATOM 700 OD2 ASP A 41 -0.978 8.153 13.128 1.00 0.00 O ATOM 0 H ASP A 41 -2.012 7.489 10.795 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.109 9.290 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.106 9.707 11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.205 10.829 11.946 1.00 0.00 H new ATOM 705 N PRO A 42 -4.047 11.197 9.723 1.00 0.00 N ATOM 706 CA PRO A 42 -4.271 12.083 8.574 1.00 0.00 C ATOM 707 C PRO A 42 -2.989 12.769 8.105 1.00 0.00 C ATOM 708 O PRO A 42 -2.965 13.393 7.044 1.00 0.00 O ATOM 709 CB PRO A 42 -5.264 13.118 9.108 1.00 0.00 C ATOM 710 CG PRO A 42 -5.051 13.125 10.582 1.00 0.00 C ATOM 711 CD PRO A 42 -4.675 11.717 10.952 1.00 0.00 C ATOM 0 HA PRO A 42 -4.632 11.533 7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.080 14.102 8.677 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.290 12.848 8.858 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.263 13.825 10.859 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.954 13.438 11.105 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.986 11.694 11.796 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.548 11.130 11.237 1.00 0.00 H new ATOM 719 N GLN A 43 -1.928 12.650 8.897 1.00 0.00 N ATOM 720 CA GLN A 43 -0.648 13.260 8.554 1.00 0.00 C ATOM 721 C GLN A 43 0.186 12.343 7.658 1.00 0.00 C ATOM 722 O GLN A 43 1.351 12.630 7.380 1.00 0.00 O ATOM 723 CB GLN A 43 0.136 13.596 9.824 1.00 0.00 C ATOM 724 CG GLN A 43 0.523 12.375 10.641 1.00 0.00 C ATOM 725 CD GLN A 43 1.841 11.770 10.196 1.00 0.00 C ATOM 726 OE1 GLN A 43 2.913 12.248 10.565 1.00 0.00 O ATOM 727 NE2 GLN A 43 1.767 10.711 9.398 1.00 0.00 N ATOM 0 H GLN A 43 -1.929 12.138 9.779 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.855 14.177 8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.040 14.141 9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.462 14.263 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.592 12.653 11.693 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.263 11.624 10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.857 10.347 9.116 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.621 10.261 9.067 1.00 0.00 H new ATOM 736 N PHE A 44 -0.411 11.241 7.208 1.00 0.00 N ATOM 737 CA PHE A 44 0.287 10.295 6.345 1.00 0.00 C ATOM 738 C PHE A 44 0.040 10.606 4.869 1.00 0.00 C ATOM 739 O PHE A 44 0.329 9.784 3.998 1.00 0.00 O ATOM 740 CB PHE A 44 -0.161 8.866 6.657 1.00 0.00 C ATOM 741 CG PHE A 44 0.553 8.255 7.829 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.901 7.947 7.753 1.00 0.00 C ATOM 743 CD2 PHE A 44 -0.126 7.990 9.009 1.00 0.00 C ATOM 744 CE1 PHE A 44 2.561 7.386 8.829 1.00 0.00 C ATOM 745 CE2 PHE A 44 0.528 7.428 10.089 1.00 0.00 C ATOM 746 CZ PHE A 44 1.874 7.125 9.998 1.00 0.00 C ATOM 0 H PHE A 44 -1.373 10.983 7.427 1.00 0.00 H new ATOM 0 HA PHE A 44 1.355 10.389 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.233 8.865 6.854 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.002 8.243 5.778 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.443 8.148 6.841 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -1.177 8.225 9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.613 7.152 8.756 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.011 7.226 11.003 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.387 6.685 10.840 1.00 0.00 H new ATOM 756 N GLN A 45 -0.493 11.794 4.591 1.00 0.00 N ATOM 757 CA GLN A 45 -0.772 12.203 3.219 1.00 0.00 C ATOM 758 C GLN A 45 -1.718 11.220 2.536 1.00 0.00 C ATOM 759 O GLN A 45 -1.537 10.877 1.368 1.00 0.00 O ATOM 760 CB GLN A 45 0.530 12.314 2.423 1.00 0.00 C ATOM 761 CG GLN A 45 1.474 13.385 2.946 1.00 0.00 C ATOM 762 CD GLN A 45 2.762 12.808 3.500 1.00 0.00 C ATOM 763 OE1 GLN A 45 3.395 11.957 2.875 1.00 0.00 O ATOM 764 NE2 GLN A 45 3.158 13.270 4.680 1.00 0.00 N ATOM 0 H GLN A 45 -0.739 12.488 5.297 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.256 13.179 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.041 11.351 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.292 12.529 1.381 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.709 14.081 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.972 13.957 3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.603 13.976 5.164 1.00 0.00 H new ATOM 0 HE22 GLN A 45 4.017 12.919 5.103 1.00 0.00 H new ATOM 773 N ASP A 46 -2.729 10.769 3.274 1.00 0.00 N ATOM 774 CA ASP A 46 -3.704 9.826 2.740 1.00 0.00 C ATOM 775 C ASP A 46 -4.839 10.557 2.031 1.00 0.00 C ATOM 776 O ASP A 46 -5.638 11.246 2.666 1.00 0.00 O ATOM 777 CB ASP A 46 -4.266 8.951 3.861 1.00 0.00 C ATOM 778 CG ASP A 46 -4.990 9.763 4.919 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.307 10.402 5.746 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.239 9.757 4.920 1.00 0.00 O ATOM 0 H ASP A 46 -2.893 11.042 4.243 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.197 9.191 2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -4.952 8.218 3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.453 8.395 4.327 1.00 0.00 H new ATOM 785 N HIS A 47 -4.903 10.406 0.713 1.00 0.00 N ATOM 786 CA HIS A 47 -5.940 11.053 -0.083 1.00 0.00 C ATOM 787 C HIS A 47 -6.023 10.435 -1.474 1.00 0.00 C ATOM 788 O HIS A 47 -5.294 9.496 -1.792 1.00 0.00 O ATOM 789 CB HIS A 47 -5.667 12.553 -0.193 1.00 0.00 C ATOM 790 CG HIS A 47 -6.180 13.341 0.972 1.00 0.00 C ATOM 791 ND1 HIS A 47 -5.367 14.117 1.773 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.433 13.473 1.471 1.00 0.00 C ATOM 793 CE1 HIS A 47 -6.098 14.691 2.714 1.00 0.00 C ATOM 794 NE2 HIS A 47 -7.354 14.317 2.552 1.00 0.00 N ATOM 0 H HIS A 47 -4.248 9.841 0.172 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.896 10.902 0.419 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -4.593 12.713 -0.285 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.125 12.931 -1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.327 13.002 1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.730 15.353 3.484 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -8.139 14.608 3.135 1.00 0.00 H new ATOM 803 N ALA A 48 -6.915 10.971 -2.302 1.00 0.00 N ATOM 804 CA ALA A 48 -7.093 10.473 -3.660 1.00 0.00 C ATOM 805 C ALA A 48 -6.128 11.154 -4.625 1.00 0.00 C ATOM 806 O ALA A 48 -5.652 12.259 -4.366 1.00 0.00 O ATOM 807 CB ALA A 48 -8.529 10.680 -4.114 1.00 0.00 C ATOM 0 H ALA A 48 -7.525 11.750 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.874 9.405 -3.661 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.647 10.303 -5.130 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.203 10.142 -3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.768 11.743 -4.091 1.00 0.00 H new ATOM 813 N LEU A 49 -5.844 10.487 -5.739 1.00 0.00 N ATOM 814 CA LEU A 49 -4.936 11.028 -6.744 1.00 0.00 C ATOM 815 C LEU A 49 -5.697 11.443 -7.999 1.00 0.00 C ATOM 816 O LEU A 49 -6.909 11.252 -8.092 1.00 0.00 O ATOM 817 CB LEU A 49 -3.864 9.998 -7.101 1.00 0.00 C ATOM 818 CG LEU A 49 -2.840 9.720 -5.999 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.858 8.645 -6.441 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.100 10.996 -5.626 1.00 0.00 C ATOM 0 H LEU A 49 -6.230 9.571 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.455 11.912 -6.324 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.355 9.061 -7.364 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.334 10.341 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.372 9.359 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.137 8.461 -5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.400 7.725 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.332 8.978 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.375 10.780 -4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.581 11.385 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.813 11.739 -5.268 1.00 0.00 H new ATOM 832 N LYS A 50 -4.978 12.010 -8.961 1.00 0.00 N ATOM 833 CA LYS A 50 -5.585 12.451 -10.212 1.00 0.00 C ATOM 834 C LYS A 50 -4.883 11.819 -11.409 1.00 0.00 C ATOM 835 O LYS A 50 -3.701 11.482 -11.341 1.00 0.00 O ATOM 836 CB LYS A 50 -5.531 13.977 -10.319 1.00 0.00 C ATOM 837 CG LYS A 50 -5.914 14.691 -9.033 1.00 0.00 C ATOM 838 CD LYS A 50 -4.688 15.049 -8.208 1.00 0.00 C ATOM 839 CE LYS A 50 -3.781 16.018 -8.950 1.00 0.00 C ATOM 840 NZ LYS A 50 -2.846 16.722 -8.028 1.00 0.00 N ATOM 0 H LYS A 50 -3.973 12.175 -8.899 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.627 12.131 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.523 14.277 -10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.199 14.301 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.471 15.597 -9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.576 14.055 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.001 15.493 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.133 14.142 -7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.209 15.476 -9.703 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.389 16.751 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.245 17.373 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.391 17.261 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.248 16.024 -7.541 1.00 0.00 H new ATOM 854 N GLY A 51 -5.618 11.663 -12.505 1.00 0.00 N ATOM 855 CA GLY A 51 -5.048 11.072 -13.701 1.00 0.00 C ATOM 856 C GLY A 51 -4.566 9.661 -13.475 1.00 0.00 C ATOM 857 O GLY A 51 -3.588 9.439 -12.762 1.00 0.00 O ATOM 0 H GLY A 51 -6.598 11.935 -12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.795 11.075 -14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.216 11.686 -14.045 1.00 0.00 H new ATOM 861 N LYS A 52 -5.253 8.705 -14.081 1.00 0.00 N ATOM 862 CA LYS A 52 -4.896 7.296 -13.943 1.00 0.00 C ATOM 863 C LYS A 52 -5.204 6.792 -12.535 1.00 0.00 C ATOM 864 O LYS A 52 -5.752 5.703 -12.362 1.00 0.00 O ATOM 865 CB LYS A 52 -3.414 7.082 -14.262 1.00 0.00 C ATOM 866 CG LYS A 52 -3.049 5.627 -14.507 1.00 0.00 C ATOM 867 CD LYS A 52 -3.402 5.195 -15.921 1.00 0.00 C ATOM 868 CE LYS A 52 -2.186 5.222 -16.832 1.00 0.00 C ATOM 869 NZ LYS A 52 -1.186 4.186 -16.456 1.00 0.00 N ATOM 0 H LYS A 52 -6.064 8.877 -14.675 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.495 6.727 -14.654 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.152 7.667 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.814 7.464 -13.436 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.982 5.485 -14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.572 4.994 -13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.821 4.189 -15.901 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.173 5.853 -16.322 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.502 5.064 -17.863 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.722 6.207 -16.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.589 3.965 -17.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.590 4.543 -15.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.679 3.325 -16.144 1.00 0.00 H new ATOM 883 N TRP A 53 -4.848 7.588 -11.528 1.00 0.00 N ATOM 884 CA TRP A 53 -5.092 7.218 -10.139 1.00 0.00 C ATOM 885 C TRP A 53 -6.265 8.003 -9.565 1.00 0.00 C ATOM 886 O TRP A 53 -6.262 8.377 -8.392 1.00 0.00 O ATOM 887 CB TRP A 53 -3.837 7.462 -9.299 1.00 0.00 C ATOM 888 CG TRP A 53 -2.586 6.929 -9.929 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.388 5.669 -10.416 1.00 0.00 C ATOM 890 CD2 TRP A 53 -1.363 7.641 -10.143 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.114 5.554 -10.919 1.00 0.00 N ATOM 892 CE2 TRP A 53 -0.465 6.751 -10.762 1.00 0.00 C ATOM 893 CE3 TRP A 53 -0.938 8.945 -9.871 1.00 0.00 C ATOM 894 CZ2 TRP A 53 0.830 7.123 -11.113 1.00 0.00 C ATOM 895 CZ3 TRP A 53 0.348 9.312 -10.220 1.00 0.00 C ATOM 896 CH2 TRP A 53 1.218 8.405 -10.836 1.00 0.00 C ATOM 0 H TRP A 53 -4.390 8.491 -11.650 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.341 6.157 -10.108 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.723 8.533 -9.132 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.968 6.999 -8.321 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.124 4.879 -10.407 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.716 4.715 -11.340 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -1.602 9.652 -9.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.504 6.425 -11.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.688 10.316 -10.014 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.216 8.724 -11.098 1.00 0.00 H new ATOM 907 N LYS A 54 -7.269 8.249 -10.401 1.00 0.00 N ATOM 908 CA LYS A 54 -8.452 8.991 -9.981 1.00 0.00 C ATOM 909 C LYS A 54 -9.356 8.133 -9.095 1.00 0.00 C ATOM 910 O LYS A 54 -9.772 8.567 -8.021 1.00 0.00 O ATOM 911 CB LYS A 54 -9.234 9.479 -11.204 1.00 0.00 C ATOM 912 CG LYS A 54 -9.773 10.892 -11.055 1.00 0.00 C ATOM 913 CD LYS A 54 -11.273 10.895 -10.804 1.00 0.00 C ATOM 914 CE LYS A 54 -11.698 12.094 -9.974 1.00 0.00 C ATOM 915 NZ LYS A 54 -13.128 12.446 -10.195 1.00 0.00 N ATOM 0 H LYS A 54 -7.287 7.945 -11.374 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.119 9.851 -9.400 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.587 9.436 -12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.066 8.799 -11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.264 11.391 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.553 11.463 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.802 10.905 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.559 9.977 -10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.536 11.879 -8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.071 12.949 -10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.377 13.269 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.278 12.676 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.729 11.639 -9.931 1.00 0.00 H new ATOM 929 N PRO A 55 -9.681 6.904 -9.536 1.00 0.00 N ATOM 930 CA PRO A 55 -10.545 5.996 -8.781 1.00 0.00 C ATOM 931 C PRO A 55 -9.787 5.185 -7.731 1.00 0.00 C ATOM 932 O PRO A 55 -10.182 4.068 -7.397 1.00 0.00 O ATOM 933 CB PRO A 55 -11.087 5.077 -9.871 1.00 0.00 C ATOM 934 CG PRO A 55 -9.981 4.987 -10.867 1.00 0.00 C ATOM 935 CD PRO A 55 -9.243 6.303 -10.813 1.00 0.00 C ATOM 0 HA PRO A 55 -11.307 6.531 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.343 4.095 -9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.993 5.484 -10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.313 4.158 -10.631 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.374 4.804 -11.867 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.163 6.157 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.497 6.938 -11.661 1.00 0.00 H new ATOM 943 N PHE A 56 -8.699 5.750 -7.211 1.00 0.00 N ATOM 944 CA PHE A 56 -7.899 5.073 -6.198 1.00 0.00 C ATOM 945 C PHE A 56 -7.438 6.055 -5.125 1.00 0.00 C ATOM 946 O PHE A 56 -7.595 7.267 -5.272 1.00 0.00 O ATOM 947 CB PHE A 56 -6.687 4.397 -6.841 1.00 0.00 C ATOM 948 CG PHE A 56 -7.044 3.467 -7.966 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.989 2.472 -7.786 1.00 0.00 C ATOM 950 CD2 PHE A 56 -6.433 3.591 -9.204 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.320 1.616 -8.819 1.00 0.00 C ATOM 952 CE2 PHE A 56 -6.760 2.738 -10.241 1.00 0.00 C ATOM 953 CZ PHE A 56 -7.704 1.749 -10.048 1.00 0.00 C ATOM 0 H PHE A 56 -8.354 6.673 -7.475 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.522 4.312 -5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.010 5.164 -7.216 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.145 3.839 -6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.473 2.363 -6.827 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -5.693 4.362 -9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.059 0.844 -8.666 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.278 2.845 -11.201 1.00 0.00 H new ATOM 0 HZ PHE A 56 -7.960 1.081 -10.857 1.00 0.00 H new ATOM 963 N ARG A 57 -6.870 5.525 -4.048 1.00 0.00 N ATOM 964 CA ARG A 57 -6.386 6.356 -2.951 1.00 0.00 C ATOM 965 C ARG A 57 -4.946 6.006 -2.595 1.00 0.00 C ATOM 966 O ARG A 57 -4.570 4.833 -2.565 1.00 0.00 O ATOM 967 CB ARG A 57 -7.282 6.192 -1.723 1.00 0.00 C ATOM 968 CG ARG A 57 -6.998 7.204 -0.625 1.00 0.00 C ATOM 969 CD ARG A 57 -8.004 7.096 0.509 1.00 0.00 C ATOM 970 NE ARG A 57 -9.355 7.447 0.077 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.321 7.841 0.906 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.091 7.932 2.210 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.520 8.144 0.429 1.00 0.00 N ATOM 0 H ARG A 57 -6.733 4.524 -3.911 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.417 7.395 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.324 6.283 -2.029 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.154 5.187 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.992 7.047 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.025 8.211 -1.042 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.001 6.079 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.702 7.752 1.325 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.571 7.387 -0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.170 7.700 2.583 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.835 8.234 2.839 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.703 8.075 -0.572 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.260 8.446 1.063 1.00 0.00 H new ATOM 987 N GLU A 58 -4.144 7.030 -2.324 1.00 0.00 N ATOM 988 CA GLU A 58 -2.744 6.833 -1.968 1.00 0.00 C ATOM 989 C GLU A 58 -2.560 6.866 -0.453 1.00 0.00 C ATOM 990 O GLU A 58 -3.494 7.165 0.290 1.00 0.00 O ATOM 991 CB GLU A 58 -1.874 7.907 -2.627 1.00 0.00 C ATOM 992 CG GLU A 58 -0.714 7.340 -3.430 1.00 0.00 C ATOM 993 CD GLU A 58 0.282 8.404 -3.846 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.383 9.431 -3.142 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.960 8.210 -4.878 1.00 0.00 O ATOM 0 H GLU A 58 -4.440 8.006 -2.344 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.434 5.853 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.497 8.515 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.482 8.569 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.203 6.581 -2.837 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.101 6.843 -4.319 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.348 6.558 -0.003 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.041 6.552 1.423 1.00 0.00 C ATOM 1004 C CYS A 59 0.461 6.421 1.654 1.00 0.00 C ATOM 1005 O CYS A 59 1.047 5.366 1.408 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.784 5.411 2.122 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.938 5.957 3.400 1.00 0.00 S ATOM 0 H CYS A 59 -0.563 6.309 -0.605 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.372 7.500 1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.331 4.836 1.375 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.054 4.737 2.570 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.108 6.160 2.870 1.00 0.00 H new ATOM 1013 N HIS A 60 1.078 7.498 2.128 1.00 0.00 N ATOM 1014 CA HIS A 60 2.512 7.503 2.393 1.00 0.00 C ATOM 1015 C HIS A 60 2.806 6.992 3.800 1.00 0.00 C ATOM 1016 O HIS A 60 3.065 7.775 4.713 1.00 0.00 O ATOM 1017 CB HIS A 60 3.078 8.913 2.220 1.00 0.00 C ATOM 1018 CG HIS A 60 2.881 9.473 0.845 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.763 10.358 0.260 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.897 9.270 -0.062 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.328 10.675 -0.947 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.198 10.029 -1.166 1.00 0.00 N ATOM 0 H HIS A 60 0.608 8.379 2.337 1.00 0.00 H new ATOM 0 HA HIS A 60 2.992 6.837 1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.606 9.576 2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.144 8.898 2.448 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.036 8.630 0.060 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.815 11.348 -1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.639 10.085 -2.017 1.00 0.00 H new ATOM 1031 N ILE A 61 2.765 5.675 3.967 1.00 0.00 N ATOM 1032 CA ILE A 61 3.028 5.059 5.263 1.00 0.00 C ATOM 1033 C ILE A 61 4.414 5.434 5.776 1.00 0.00 C ATOM 1034 O ILE A 61 4.566 5.884 6.912 1.00 0.00 O ATOM 1035 CB ILE A 61 2.920 3.523 5.188 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.605 3.113 4.521 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.029 2.915 6.579 1.00 0.00 C ATOM 1038 CD1 ILE A 61 1.763 2.697 3.074 1.00 0.00 C ATOM 0 H ILE A 61 2.552 5.013 3.221 1.00 0.00 H new ATOM 0 HA ILE A 61 2.272 5.436 5.952 1.00 0.00 H new ATOM 0 HB ILE A 61 3.744 3.145 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.165 2.288 5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.904 3.946 4.576 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.951 1.830 6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.990 3.182 7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.224 3.297 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.791 2.420 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.174 3.527 2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.439 1.844 3.012 1.00 0.00 H new ATOM 1050 N LYS A 62 5.420 5.247 4.930 1.00 0.00 N ATOM 1051 CA LYS A 62 6.796 5.566 5.291 1.00 0.00 C ATOM 1052 C LYS A 62 7.340 6.687 4.409 1.00 0.00 C ATOM 1053 O LYS A 62 6.695 7.089 3.441 1.00 0.00 O ATOM 1054 CB LYS A 62 7.680 4.322 5.165 1.00 0.00 C ATOM 1055 CG LYS A 62 7.024 3.053 5.686 1.00 0.00 C ATOM 1056 CD LYS A 62 6.783 3.121 7.187 1.00 0.00 C ATOM 1057 CE LYS A 62 7.726 2.203 7.948 1.00 0.00 C ATOM 1058 NZ LYS A 62 8.219 2.830 9.204 1.00 0.00 N ATOM 0 H LYS A 62 5.308 4.875 3.987 1.00 0.00 H new ATOM 0 HA LYS A 62 6.808 5.905 6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.945 4.180 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.609 4.490 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.076 2.896 5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.657 2.196 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.916 4.147 7.531 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.751 2.844 7.403 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.213 1.271 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.574 1.947 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.859 2.172 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.731 3.706 8.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.412 3.051 9.822 1.00 0.00 H new ATOM 1072 N PRO A 63 8.536 7.210 4.730 1.00 0.00 N ATOM 1073 CA PRO A 63 9.160 8.292 3.960 1.00 0.00 C ATOM 1074 C PRO A 63 9.607 7.851 2.568 1.00 0.00 C ATOM 1075 O PRO A 63 10.108 8.655 1.784 1.00 0.00 O ATOM 1076 CB PRO A 63 10.378 8.697 4.808 1.00 0.00 C ATOM 1077 CG PRO A 63 10.185 8.034 6.133 1.00 0.00 C ATOM 1078 CD PRO A 63 9.372 6.801 5.865 1.00 0.00 C ATOM 0 HA PRO A 63 8.457 9.106 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.307 8.373 4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.437 9.780 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.144 7.779 6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.671 8.696 6.829 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.001 5.946 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.772 6.516 6.729 1.00 0.00 H new ATOM 1086 N ASP A 64 9.418 6.573 2.268 1.00 0.00 N ATOM 1087 CA ASP A 64 9.798 6.027 0.971 1.00 0.00 C ATOM 1088 C ASP A 64 8.825 4.935 0.536 1.00 0.00 C ATOM 1089 O ASP A 64 9.199 4.008 -0.183 1.00 0.00 O ATOM 1090 CB ASP A 64 11.223 5.471 1.026 1.00 0.00 C ATOM 1091 CG ASP A 64 12.140 6.128 0.012 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.741 6.233 -1.168 1.00 0.00 O ATOM 1093 OD2 ASP A 64 13.254 6.539 0.397 1.00 0.00 O ATOM 0 H ASP A 64 9.003 5.894 2.906 1.00 0.00 H new ATOM 0 HA ASP A 64 9.761 6.833 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.629 5.617 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.198 4.396 0.846 1.00 0.00 H new ATOM 1098 N VAL A 65 7.576 5.051 0.977 1.00 0.00 N ATOM 1099 CA VAL A 65 6.551 4.074 0.631 1.00 0.00 C ATOM 1100 C VAL A 65 5.220 4.754 0.329 1.00 0.00 C ATOM 1101 O VAL A 65 4.891 5.787 0.911 1.00 0.00 O ATOM 1102 CB VAL A 65 6.344 3.049 1.764 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.323 1.996 1.358 1.00 0.00 C ATOM 1104 CG2 VAL A 65 7.665 2.398 2.137 1.00 0.00 C ATOM 0 H VAL A 65 7.250 5.811 1.574 1.00 0.00 H new ATOM 0 HA VAL A 65 6.901 3.554 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 65 5.959 3.575 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.192 1.283 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.370 2.478 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.675 1.472 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.502 1.677 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.077 1.887 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.365 3.163 2.474 1.00 0.00 H new ATOM 1114 N LEU A 66 4.461 4.162 -0.585 1.00 0.00 N ATOM 1115 CA LEU A 66 3.162 4.701 -0.971 1.00 0.00 C ATOM 1116 C LEU A 66 2.198 3.578 -1.339 1.00 0.00 C ATOM 1117 O LEU A 66 2.149 3.140 -2.488 1.00 0.00 O ATOM 1118 CB LEU A 66 3.309 5.664 -2.153 1.00 0.00 C ATOM 1119 CG LEU A 66 4.620 6.453 -2.194 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.853 7.029 -3.582 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.609 7.560 -1.150 1.00 0.00 C ATOM 0 H LEU A 66 4.723 3.306 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 66 2.758 5.245 -0.118 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.218 5.095 -3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.479 6.371 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 66 5.439 5.772 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.790 7.587 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.906 6.218 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.031 7.696 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.549 8.110 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.781 8.240 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.490 7.124 -0.158 1.00 0.00 H new ATOM 1133 N LEU A 67 1.432 3.114 -0.356 1.00 0.00 N ATOM 1134 CA LEU A 67 0.471 2.040 -0.582 1.00 0.00 C ATOM 1135 C LEU A 67 -0.850 2.591 -1.105 1.00 0.00 C ATOM 1136 O LEU A 67 -1.404 3.538 -0.547 1.00 0.00 O ATOM 1137 CB LEU A 67 0.229 1.254 0.714 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.696 0.036 0.585 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.141 0.468 0.388 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.245 -0.863 -0.558 1.00 0.00 C ATOM 0 H LEU A 67 1.458 3.464 0.602 1.00 0.00 H new ATOM 0 HA LEU A 67 0.890 1.370 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.192 0.918 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.193 1.932 1.456 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.636 -0.532 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.776 -0.414 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.463 1.062 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.222 1.066 -0.520 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.914 -1.720 -0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.268 -0.303 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.771 -1.211 -0.369 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.357 1.978 -2.166 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.623 2.389 -2.755 1.00 0.00 C ATOM 1154 C VAL A 68 -3.686 1.333 -2.495 1.00 0.00 C ATOM 1155 O VAL A 68 -3.575 0.197 -2.957 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.490 2.633 -4.271 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -3.841 2.970 -4.891 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.487 3.744 -4.532 1.00 0.00 C ATOM 0 H VAL A 68 -0.909 1.192 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.918 3.328 -2.287 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.129 1.717 -4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.719 3.137 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.532 2.142 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.240 3.871 -4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.399 3.910 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.826 4.661 -4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.515 3.459 -4.128 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.709 1.709 -1.741 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.787 0.786 -1.405 1.00 0.00 C ATOM 1170 C TYR A 69 -7.154 1.442 -1.588 1.00 0.00 C ATOM 1171 O TYR A 69 -7.278 2.666 -1.546 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.621 0.291 0.037 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.956 1.332 1.083 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -5.073 2.364 1.371 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -7.157 1.283 1.780 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -5.375 3.317 2.326 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -7.466 2.231 2.736 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.574 3.246 3.005 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.879 4.193 3.955 1.00 0.00 O ATOM 0 H TYR A 69 -4.817 2.645 -1.350 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.732 -0.065 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.259 -0.580 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.592 -0.038 0.182 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.134 2.423 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.860 0.491 1.571 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.676 4.112 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.403 2.177 3.270 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.760 4.000 4.339 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.176 0.616 -1.791 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.536 1.110 -1.982 1.00 0.00 C ATOM 1191 C LEU A 70 -10.423 0.733 -0.799 1.00 0.00 C ATOM 1192 O LEU A 70 -9.970 0.096 0.151 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.128 0.550 -3.278 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.873 1.568 -4.144 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -9.980 2.760 -4.451 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.359 0.917 -5.429 1.00 0.00 C ATOM 0 H LEU A 70 -8.088 -0.400 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.495 2.197 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.322 0.114 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.813 -0.260 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.741 1.924 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.526 3.474 -5.068 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.680 3.240 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.093 2.422 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.887 1.655 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.505 0.533 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.034 0.096 -5.188 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.689 1.129 -0.867 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.643 0.833 0.196 1.00 0.00 C ATOM 1210 C VAL A 71 -13.925 0.232 -0.369 1.00 0.00 C ATOM 1211 O VAL A 71 -14.723 0.928 -0.998 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.992 2.094 1.008 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.857 1.739 2.206 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.727 2.815 1.449 1.00 0.00 C ATOM 0 H VAL A 71 -12.079 1.656 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.166 0.109 0.856 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.561 2.767 0.367 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.092 2.644 2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.781 1.274 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.319 1.043 2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.995 3.703 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.127 2.150 2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.151 3.109 0.572 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.118 -1.062 -0.138 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.305 -1.757 -0.622 1.00 0.00 C ATOM 1226 C LYS A 72 -16.358 -1.863 0.476 1.00 0.00 C ATOM 1227 O LYS A 72 -16.109 -1.497 1.624 1.00 0.00 O ATOM 1228 CB LYS A 72 -14.933 -3.153 -1.125 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.705 -3.580 -2.364 1.00 0.00 C ATOM 1230 CD LYS A 72 -16.108 -5.045 -2.294 1.00 0.00 C ATOM 1231 CE LYS A 72 -16.373 -5.620 -3.676 1.00 0.00 C ATOM 1232 NZ LYS A 72 -17.816 -5.930 -3.881 1.00 0.00 N ATOM 0 H LYS A 72 -13.467 -1.651 0.382 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.723 -1.180 -1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.866 -3.178 -1.346 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.111 -3.876 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.596 -2.961 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.094 -3.412 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.318 -5.617 -1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.002 -5.148 -1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.043 -4.910 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.784 -6.527 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.955 -6.320 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.125 -6.627 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -18.376 -5.060 -3.778 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.535 -2.366 0.118 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.623 -2.520 1.075 1.00 0.00 C ATOM 1248 C ASP A 73 -18.211 -3.433 2.224 1.00 0.00 C ATOM 1249 O ASP A 73 -18.174 -4.655 2.077 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.867 -3.081 0.383 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.303 -2.236 -0.797 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -19.572 -2.207 -1.810 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -21.377 -1.604 -0.709 1.00 0.00 O ATOM 0 H ASP A 73 -17.759 -2.674 -0.828 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.856 -1.536 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.664 -4.097 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.683 -3.143 1.103 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.900 -2.832 3.368 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.487 -3.589 4.545 1.00 0.00 C ATOM 1260 C ASP A 74 -16.288 -4.481 4.232 1.00 0.00 C ATOM 1261 O ASP A 74 -16.076 -5.503 4.883 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.649 -4.439 5.064 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.418 -3.750 6.174 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -20.263 -2.884 5.862 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.176 -4.076 7.356 1.00 0.00 O ATOM 0 H ASP A 74 -17.926 -1.822 3.505 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.192 -2.877 5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.327 -4.664 4.241 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.264 -5.391 5.429 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.507 -4.089 3.229 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.332 -4.855 2.831 1.00 0.00 C ATOM 1272 C GLU A 75 -13.291 -3.952 2.177 1.00 0.00 C ATOM 1273 O GLU A 75 -13.605 -3.179 1.272 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.730 -5.973 1.864 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.574 -7.063 2.505 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.040 -8.104 1.506 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.455 -8.174 0.404 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -16.991 -8.848 1.824 1.00 0.00 O ATOM 0 H GLU A 75 -15.667 -3.246 2.678 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.896 -5.296 3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.283 -5.541 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.827 -6.421 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.995 -7.551 3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.442 -6.610 2.984 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.049 -4.058 2.639 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.960 -3.253 2.097 1.00 0.00 C ATOM 1287 C LEU A 76 -10.171 -4.041 1.056 1.00 0.00 C ATOM 1288 O LEU A 76 -9.963 -5.246 1.204 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.030 -2.792 3.221 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.059 -1.671 2.837 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.251 -0.461 3.740 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.620 -2.164 2.904 1.00 0.00 C ATOM 0 H LEU A 76 -11.772 -4.693 3.387 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.392 -2.377 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.638 -2.454 4.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.453 -3.649 3.570 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.273 -1.370 1.811 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.552 0.324 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.272 -0.092 3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.067 -0.747 4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.945 -1.354 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.395 -2.494 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.488 -2.997 2.214 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.736 -3.356 0.005 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.971 -3.999 -1.059 1.00 0.00 C ATOM 1306 C ILE A 77 -7.688 -3.230 -1.362 1.00 0.00 C ATOM 1307 O ILE A 77 -7.693 -2.003 -1.452 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.804 -4.124 -2.353 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.063 -2.744 -2.965 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.119 -4.836 -2.072 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.025 -2.332 -3.986 1.00 0.00 C ATOM 0 H ILE A 77 -9.899 -2.359 -0.134 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.713 -4.997 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.235 -4.716 -3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.046 -2.743 -3.437 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.092 -2.001 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.694 -4.916 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.917 -5.834 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.690 -4.269 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.272 -1.345 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.043 -2.300 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.012 -3.054 -4.803 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.590 -3.963 -1.525 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.302 -3.351 -1.824 1.00 0.00 C ATOM 1325 C LEU A 78 -5.126 -3.176 -3.330 1.00 0.00 C ATOM 1326 O LEU A 78 -5.372 -4.102 -4.104 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.163 -4.203 -1.261 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.257 -4.502 0.236 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.090 -5.368 0.682 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.300 -3.208 1.036 1.00 0.00 C ATOM 0 H LEU A 78 -6.568 -4.980 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.275 -2.368 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.134 -5.148 -1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.219 -3.695 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.181 -5.051 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.174 -5.570 1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.104 -6.309 0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.153 -4.847 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.367 -3.439 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.394 -2.633 0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.170 -2.624 0.736 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.705 -1.984 -3.739 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.501 -1.692 -5.153 1.00 0.00 C ATOM 1344 C LEU A 79 -3.092 -2.075 -5.595 1.00 0.00 C ATOM 1345 O LEU A 79 -2.916 -2.925 -6.468 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.758 -0.209 -5.432 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.761 0.078 -6.551 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.319 -0.585 -7.847 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.151 -0.398 -6.153 1.00 0.00 C ATOM 0 H LEU A 79 -4.499 -1.206 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.211 -2.288 -5.727 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.116 0.260 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.810 0.267 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.799 1.155 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.045 -0.370 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.343 -0.198 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.252 -1.663 -7.700 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.853 -0.187 -6.960 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.128 -1.471 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.469 0.123 -5.250 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.089 -1.444 -4.989 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.699 -1.728 -5.330 1.00 0.00 C ATOM 1363 C ARG A 80 0.262 -1.011 -4.387 1.00 0.00 C ATOM 1364 O ARG A 80 -0.120 -0.073 -3.688 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.414 -1.317 -6.775 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.745 0.137 -7.071 1.00 0.00 C ATOM 1367 CD ARG A 80 0.514 0.973 -7.247 1.00 0.00 C ATOM 1368 NE ARG A 80 0.253 2.400 -7.073 1.00 0.00 N ATOM 1369 CZ ARG A 80 -0.421 3.144 -7.948 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -0.904 2.599 -9.058 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -0.612 4.434 -7.711 1.00 0.00 N ATOM 0 H ARG A 80 -2.212 -0.737 -4.264 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.542 -2.801 -5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.639 -1.493 -6.993 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.989 -1.956 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -1.351 0.196 -7.975 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.344 0.547 -6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.266 0.652 -6.526 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.929 0.799 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 80 0.608 2.853 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.759 1.606 -9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.420 3.173 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.243 4.856 -6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.128 5.005 -8.381 1.00 0.00 H new ATOM 1385 N LEU A 81 1.510 -1.464 -4.375 1.00 0.00 N ATOM 1386 CA LEU A 81 2.536 -0.875 -3.522 1.00 0.00 C ATOM 1387 C LEU A 81 3.635 -0.230 -4.361 1.00 0.00 C ATOM 1388 O LEU A 81 4.153 -0.840 -5.297 1.00 0.00 O ATOM 1389 CB LEU A 81 3.137 -1.945 -2.605 1.00 0.00 C ATOM 1390 CG LEU A 81 4.096 -1.428 -1.529 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.436 -1.050 -2.143 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.489 -0.240 -0.795 1.00 0.00 C ATOM 0 H LEU A 81 1.837 -2.241 -4.949 1.00 0.00 H new ATOM 0 HA LEU A 81 2.070 -0.101 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.322 -2.478 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.667 -2.671 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 81 4.263 -2.227 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.104 -0.685 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.878 -1.925 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.287 -0.268 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.186 0.113 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.290 0.563 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.556 -0.544 -0.319 1.00 0.00 H new ATOM 1404 N GLY A 82 3.986 1.007 -4.023 1.00 0.00 N ATOM 1405 CA GLY A 82 5.020 1.711 -4.757 1.00 0.00 C ATOM 1406 C GLY A 82 5.943 2.498 -3.848 1.00 0.00 C ATOM 1407 O GLY A 82 5.998 2.252 -2.644 1.00 0.00 O ATOM 0 H GLY A 82 3.572 1.534 -3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.606 0.994 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.555 2.389 -5.473 1.00 0.00 H new ATOM 1411 N SER A 83 6.671 3.448 -4.428 1.00 0.00 N ATOM 1412 CA SER A 83 7.599 4.275 -3.662 1.00 0.00 C ATOM 1413 C SER A 83 7.693 5.677 -4.256 1.00 0.00 C ATOM 1414 O SER A 83 7.195 5.933 -5.351 1.00 0.00 O ATOM 1415 CB SER A 83 8.984 3.627 -3.630 1.00 0.00 C ATOM 1416 OG SER A 83 9.570 3.611 -4.920 1.00 0.00 O ATOM 0 H SER A 83 6.637 3.664 -5.424 1.00 0.00 H new ATOM 0 HA SER A 83 7.221 4.356 -2.643 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.629 4.173 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.903 2.608 -3.251 1.00 0.00 H new ATOM 0 HG SER A 83 10.455 3.193 -4.872 1.00 0.00 H new ATOM 1422 N HIS A 84 8.338 6.580 -3.525 1.00 0.00 N ATOM 1423 CA HIS A 84 8.501 7.957 -3.980 1.00 0.00 C ATOM 1424 C HIS A 84 9.251 8.008 -5.307 1.00 0.00 C ATOM 1425 O HIS A 84 9.054 8.924 -6.107 1.00 0.00 O ATOM 1426 CB HIS A 84 9.245 8.780 -2.926 1.00 0.00 C ATOM 1427 CG HIS A 84 8.740 10.183 -2.797 1.00 0.00 C ATOM 1428 ND1 HIS A 84 9.318 11.255 -3.445 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.702 10.690 -2.090 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.658 12.358 -3.141 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.673 12.043 -2.321 1.00 0.00 N ATOM 0 H HIS A 84 8.756 6.384 -2.616 1.00 0.00 H new ATOM 0 HA HIS A 84 7.509 8.383 -4.129 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.159 8.281 -1.960 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.305 8.806 -3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.023 10.133 -1.461 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.886 13.350 -3.502 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.000 12.698 -1.924 1.00 0.00 H new ATOM 1440 N SER A 85 10.112 7.023 -5.534 1.00 0.00 N ATOM 1441 CA SER A 85 10.892 6.959 -6.765 1.00 0.00 C ATOM 1442 C SER A 85 10.154 6.170 -7.846 1.00 0.00 C ATOM 1443 O SER A 85 10.440 6.314 -9.035 1.00 0.00 O ATOM 1444 CB SER A 85 12.255 6.319 -6.495 1.00 0.00 C ATOM 1445 OG SER A 85 13.125 7.229 -5.844 1.00 0.00 O ATOM 0 H SER A 85 10.288 6.258 -4.883 1.00 0.00 H new ATOM 0 HA SER A 85 11.037 7.978 -7.123 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.127 5.429 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.701 5.994 -7.435 1.00 0.00 H new ATOM 0 HG SER A 85 13.989 6.796 -5.681 1.00 0.00 H new ATOM 1451 N GLU A 86 9.206 5.334 -7.427 1.00 0.00 N ATOM 1452 CA GLU A 86 8.436 4.524 -8.364 1.00 0.00 C ATOM 1453 C GLU A 86 7.199 5.275 -8.852 1.00 0.00 C ATOM 1454 O GLU A 86 7.158 5.751 -9.986 1.00 0.00 O ATOM 1455 CB GLU A 86 8.023 3.205 -7.707 1.00 0.00 C ATOM 1456 CG GLU A 86 8.867 2.018 -8.143 1.00 0.00 C ATOM 1457 CD GLU A 86 8.036 0.778 -8.406 1.00 0.00 C ATOM 1458 OE1 GLU A 86 7.376 0.719 -9.466 1.00 0.00 O ATOM 1459 OE2 GLU A 86 8.046 -0.136 -7.555 1.00 0.00 O ATOM 0 H GLU A 86 8.954 5.201 -6.447 1.00 0.00 H new ATOM 0 HA GLU A 86 9.068 4.312 -9.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.092 3.311 -6.624 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.978 3.003 -7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.417 2.280 -9.046 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.606 1.799 -7.372 1.00 0.00 H new ATOM 1466 N LEU A 87 6.194 5.371 -7.989 1.00 0.00 N ATOM 1467 CA LEU A 87 4.953 6.060 -8.333 1.00 0.00 C ATOM 1468 C LEU A 87 5.220 7.502 -8.753 1.00 0.00 C ATOM 1469 O LEU A 87 4.630 7.997 -9.713 1.00 0.00 O ATOM 1470 CB LEU A 87 3.985 6.032 -7.149 1.00 0.00 C ATOM 1471 CG LEU A 87 3.710 4.644 -6.567 1.00 0.00 C ATOM 1472 CD1 LEU A 87 2.664 4.723 -5.467 1.00 0.00 C ATOM 1473 CD2 LEU A 87 3.264 3.686 -7.663 1.00 0.00 C ATOM 0 H LEU A 87 6.213 4.981 -7.047 1.00 0.00 H new ATOM 0 HA LEU A 87 4.503 5.537 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.384 6.668 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.038 6.471 -7.464 1.00 0.00 H new ATOM 0 HG LEU A 87 4.634 4.263 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.482 3.726 -5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.022 5.375 -4.670 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.736 5.125 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.073 2.703 -7.232 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.352 4.063 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.047 3.605 -8.417 1.00 0.00 H new ATOM 1485 N PHE A 88 6.111 8.171 -8.029 1.00 0.00 N ATOM 1486 CA PHE A 88 6.453 9.556 -8.330 1.00 0.00 C ATOM 1487 C PHE A 88 7.793 9.644 -9.053 1.00 0.00 C ATOM 1488 O PHE A 88 7.809 9.478 -10.290 1.00 0.00 O ATOM 1489 CB PHE A 88 6.493 10.385 -7.043 1.00 0.00 C ATOM 1490 CG PHE A 88 5.134 10.715 -6.500 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.500 9.858 -5.613 1.00 0.00 C ATOM 1492 CD2 PHE A 88 4.487 11.882 -6.873 1.00 0.00 C ATOM 1493 CE1 PHE A 88 3.249 10.159 -5.110 1.00 0.00 C ATOM 1494 CE2 PHE A 88 3.237 12.189 -6.374 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.616 11.326 -5.491 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.817 9.878 -8.376 1.00 0.00 O ATOM 0 H PHE A 88 6.609 7.777 -7.231 1.00 0.00 H new ATOM 0 HA PHE A 88 5.683 9.959 -8.988 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.055 9.838 -6.286 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.034 11.312 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.990 8.944 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.967 12.560 -7.563 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.767 9.483 -4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.745 13.103 -6.673 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.638 11.564 -5.100 1.00 0.00 H new