USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 430 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 36 LYS NZ :NH3+ 155:sc= 0.298 (180deg=0) USER MOD Set 1.2: A 41 TYR OH : rot 180:sc= 0.125 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 9 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.67) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.000541 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 46 SER OG : rot -50:sc= 0.0323 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N TYR A 2 1.013 1.985 -2.653 1.00 0.00 N ATOM 19 CA TYR A 2 -0.250 2.528 -3.238 1.00 0.00 C ATOM 20 C TYR A 2 -1.011 3.472 -2.244 1.00 0.00 C ATOM 21 O TYR A 2 -1.363 3.074 -1.131 1.00 0.00 O ATOM 22 CB TYR A 2 -1.211 1.521 -3.947 1.00 0.00 C ATOM 23 CG TYR A 2 -0.578 0.560 -4.973 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.221 1.006 -6.249 1.00 0.00 C ATOM 25 CD2 TYR A 2 -0.312 -0.766 -4.613 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.432 0.152 -7.137 1.00 0.00 C ATOM 27 CE2 TYR A 2 0.337 -1.619 -5.502 1.00 0.00 C ATOM 28 CZ TYR A 2 0.715 -1.159 -6.758 1.00 0.00 C ATOM 29 OH TYR A 2 1.373 -2.001 -7.613 1.00 0.00 O ATOM 0 HA TYR A 2 0.123 3.121 -4.073 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.702 0.923 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.989 2.093 -4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.452 2.018 -6.549 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -0.611 -1.129 -3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.718 0.506 -8.117 1.00 0.00 H new ATOM 0 HE2 TYR A 2 0.547 -2.639 -5.215 1.00 0.00 H new ATOM 0 HH TYR A 2 1.488 -2.876 -7.187 1.00 0.00 H new ATOM 39 N LEU A 3 -1.272 4.724 -2.663 1.00 0.00 N ATOM 40 CA LEU A 3 -2.088 5.708 -1.896 1.00 0.00 C ATOM 41 C LEU A 3 -3.470 6.007 -2.584 1.00 0.00 C ATOM 42 O LEU A 3 -3.670 5.786 -3.782 1.00 0.00 O ATOM 43 CB LEU A 3 -1.201 6.948 -1.548 1.00 0.00 C ATOM 44 CG LEU A 3 -0.938 8.080 -2.584 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.139 9.218 -1.921 1.00 0.00 C ATOM 46 CD2 LEU A 3 -0.159 7.648 -3.838 1.00 0.00 C ATOM 0 H LEU A 3 -0.924 5.092 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.397 5.285 -0.940 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.646 7.419 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.227 6.565 -1.244 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.930 8.392 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.043 10.008 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.707 9.621 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.814 8.831 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.027 8.506 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.817 7.262 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.715 6.870 -4.362 1.00 0.00 H new ATOM 58 N THR A 4 -4.453 6.498 -1.807 1.00 0.00 N ATOM 59 CA THR A 4 -5.844 6.773 -2.313 1.00 0.00 C ATOM 60 C THR A 4 -5.925 7.982 -3.320 1.00 0.00 C ATOM 61 O THR A 4 -5.047 8.845 -3.333 1.00 0.00 O ATOM 62 CB THR A 4 -6.739 6.937 -1.038 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.687 5.750 -0.250 1.00 0.00 O ATOM 64 CG2 THR A 4 -8.241 7.171 -1.268 1.00 0.00 C ATOM 0 H THR A 4 -4.325 6.719 -0.819 1.00 0.00 H new ATOM 0 HA THR A 4 -6.205 5.947 -2.925 1.00 0.00 H new ATOM 0 HB THR A 4 -6.320 7.828 -0.571 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.248 5.861 0.546 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.746 7.268 -0.307 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.383 8.084 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.661 6.327 -1.815 1.00 0.00 H new ATOM 72 N LEU A 5 -6.991 8.079 -4.146 1.00 0.00 N ATOM 73 CA LEU A 5 -7.222 9.230 -5.090 1.00 0.00 C ATOM 74 C LEU A 5 -7.095 10.669 -4.479 1.00 0.00 C ATOM 75 O LEU A 5 -6.361 11.506 -5.012 1.00 0.00 O ATOM 76 CB LEU A 5 -8.575 8.962 -5.827 1.00 0.00 C ATOM 77 CG LEU A 5 -8.913 9.801 -7.098 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.987 9.094 -7.949 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.425 11.222 -6.804 1.00 0.00 C ATOM 0 H LEU A 5 -7.723 7.370 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.397 9.254 -5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.595 7.910 -6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.379 9.113 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.964 9.886 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.208 9.696 -8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.619 8.116 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.895 8.969 -7.359 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.635 11.734 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.337 11.164 -6.210 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.666 11.775 -6.251 1.00 0.00 H new ATOM 91 N GLN A 6 -7.761 10.930 -3.341 1.00 0.00 N ATOM 92 CA GLN A 6 -7.555 12.175 -2.541 1.00 0.00 C ATOM 93 C GLN A 6 -6.121 12.381 -1.939 1.00 0.00 C ATOM 94 O GLN A 6 -5.592 13.494 -2.002 1.00 0.00 O ATOM 95 CB GLN A 6 -8.694 12.218 -1.486 1.00 0.00 C ATOM 96 CG GLN A 6 -8.859 13.561 -0.727 1.00 0.00 C ATOM 97 CD GLN A 6 -10.009 13.590 0.292 1.00 0.00 C ATOM 98 OE1 GLN A 6 -10.906 12.754 0.329 1.00 0.00 O ATOM 99 NE2 GLN A 6 -10.033 14.578 1.153 1.00 0.00 N ATOM 0 H GLN A 6 -8.454 10.297 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.609 13.032 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.635 11.986 -1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.517 11.429 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.927 13.785 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.018 14.356 -1.455 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -9.297 15.284 1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.788 14.641 1.836 1.00 0.00 H new ATOM 108 N GLU A 7 -5.482 11.319 -1.413 1.00 0.00 N ATOM 109 CA GLU A 7 -4.030 11.332 -1.068 1.00 0.00 C ATOM 110 C GLU A 7 -3.048 11.569 -2.268 1.00 0.00 C ATOM 111 O GLU A 7 -2.099 12.336 -2.112 1.00 0.00 O ATOM 112 CB GLU A 7 -3.693 10.022 -0.309 1.00 0.00 C ATOM 113 CG GLU A 7 -4.147 9.962 1.169 1.00 0.00 C ATOM 114 CD GLU A 7 -3.900 8.615 1.854 1.00 0.00 C ATOM 115 OE1 GLU A 7 -3.750 7.547 1.262 1.00 0.00 O ATOM 116 OE2 GLU A 7 -3.879 8.737 3.211 1.00 0.00 O ATOM 0 H GLU A 7 -5.944 10.432 -1.213 1.00 0.00 H new ATOM 0 HA GLU A 7 -3.869 12.206 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.148 9.188 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.614 9.872 -0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.627 10.740 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.212 10.191 1.219 1.00 0.00 H new ATOM 123 N TRP A 8 -3.274 10.971 -3.456 1.00 0.00 N ATOM 124 CA TRP A 8 -2.573 11.353 -4.717 1.00 0.00 C ATOM 125 C TRP A 8 -2.774 12.847 -5.142 1.00 0.00 C ATOM 126 O TRP A 8 -1.791 13.527 -5.442 1.00 0.00 O ATOM 127 CB TRP A 8 -2.979 10.340 -5.826 1.00 0.00 C ATOM 128 CG TRP A 8 -2.211 10.501 -7.149 1.00 0.00 C ATOM 129 CD1 TRP A 8 -0.959 9.923 -7.443 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.490 11.343 -8.220 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.455 10.382 -8.672 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.407 11.269 -9.128 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.541 12.273 -8.440 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.349 12.136 -10.245 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.453 13.130 -9.537 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.376 13.061 -10.427 1.00 0.00 C ATOM 0 H TRP A 8 -3.944 10.211 -3.577 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.499 11.294 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.823 9.328 -5.451 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.046 10.446 -6.024 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.451 9.216 -6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.420 10.118 -9.125 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.389 12.316 -7.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.526 12.082 -10.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.231 13.861 -9.702 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.339 13.736 -11.269 1.00 0.00 H new ATOM 147 N ASN A 9 -4.021 13.356 -5.158 1.00 0.00 N ATOM 148 CA ASN A 9 -4.307 14.795 -5.416 1.00 0.00 C ATOM 149 C ASN A 9 -3.624 15.787 -4.406 1.00 0.00 C ATOM 150 O ASN A 9 -3.002 16.756 -4.845 1.00 0.00 O ATOM 151 CB ASN A 9 -5.855 14.922 -5.506 1.00 0.00 C ATOM 152 CG ASN A 9 -6.388 16.184 -6.195 1.00 0.00 C ATOM 153 OD1 ASN A 9 -5.755 16.813 -7.036 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.592 16.590 -5.878 1.00 0.00 N ATOM 0 H ASN A 9 -4.856 12.794 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.851 15.109 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.241 14.052 -6.037 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.262 14.885 -4.495 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.987 17.416 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.135 16.081 -5.181 1.00 0.00 H new ATOM 161 N ALA A 10 -3.664 15.511 -3.085 1.00 0.00 N ATOM 162 CA ALA A 10 -2.786 16.185 -2.090 1.00 0.00 C ATOM 163 C ALA A 10 -1.234 16.005 -2.242 1.00 0.00 C ATOM 164 O ALA A 10 -0.496 16.968 -2.018 1.00 0.00 O ATOM 165 CB ALA A 10 -3.296 15.751 -0.703 1.00 0.00 C ATOM 0 H ALA A 10 -4.297 14.823 -2.676 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.871 17.258 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.686 16.217 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.334 16.061 -0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.229 14.667 -0.614 1.00 0.00 H new ATOM 171 N ARG A 11 -0.738 14.819 -2.652 1.00 0.00 N ATOM 172 CA ARG A 11 0.686 14.606 -3.050 1.00 0.00 C ATOM 173 C ARG A 11 1.212 15.505 -4.223 1.00 0.00 C ATOM 174 O ARG A 11 2.359 15.960 -4.149 1.00 0.00 O ATOM 175 CB ARG A 11 0.868 13.090 -3.358 1.00 0.00 C ATOM 176 CG ARG A 11 2.328 12.604 -3.536 1.00 0.00 C ATOM 177 CD ARG A 11 2.431 11.201 -4.168 1.00 0.00 C ATOM 178 NE ARG A 11 3.846 10.803 -4.417 1.00 0.00 N ATOM 179 CZ ARG A 11 4.701 10.334 -3.507 1.00 0.00 C ATOM 180 NH1 ARG A 11 4.396 10.168 -2.244 1.00 0.00 N ATOM 181 NH2 ARG A 11 5.903 10.024 -3.896 1.00 0.00 N ATOM 0 H ARG A 11 -1.307 13.975 -2.720 1.00 0.00 H new ATOM 0 HA ARG A 11 1.305 14.924 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.412 12.518 -2.550 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.314 12.855 -4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.867 13.317 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.821 12.594 -2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.960 10.471 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.879 11.185 -5.108 1.00 0.00 H new ATOM 0 HE ARG A 11 4.192 10.898 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.461 10.402 -1.910 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.093 9.805 -1.594 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.169 10.142 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.579 9.663 -3.223 1.00 0.00 H new ATOM 195 N GLN A 12 0.419 15.776 -5.282 1.00 0.00 N ATOM 196 CA GLN A 12 0.846 16.661 -6.409 1.00 0.00 C ATOM 197 C GLN A 12 0.785 18.189 -6.041 1.00 0.00 C ATOM 198 O GLN A 12 -0.027 18.958 -6.569 1.00 0.00 O ATOM 199 CB GLN A 12 0.019 16.318 -7.686 1.00 0.00 C ATOM 200 CG GLN A 12 -0.012 14.855 -8.204 1.00 0.00 C ATOM 201 CD GLN A 12 1.336 14.145 -8.384 1.00 0.00 C ATOM 202 OE1 GLN A 12 2.237 14.604 -9.076 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.505 12.987 -7.795 1.00 0.00 N ATOM 0 H GLN A 12 -0.523 15.399 -5.388 1.00 0.00 H new ATOM 0 HA GLN A 12 1.898 16.465 -6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.011 16.621 -7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.393 16.944 -8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.615 14.265 -7.513 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.528 14.848 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.762 12.596 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.380 12.477 -7.915 1.00 0.00 H new ATOM 212 N ARG A 13 1.659 18.622 -5.108 1.00 0.00 N ATOM 213 CA ARG A 13 1.617 19.971 -4.463 1.00 0.00 C ATOM 214 C ARG A 13 0.385 20.265 -3.541 1.00 0.00 C ATOM 215 O ARG A 13 0.563 20.548 -2.353 1.00 0.00 O ATOM 216 CB ARG A 13 1.988 21.144 -5.434 1.00 0.00 C ATOM 217 CG ARG A 13 3.475 21.573 -5.425 1.00 0.00 C ATOM 218 CD ARG A 13 4.439 20.587 -6.122 1.00 0.00 C ATOM 219 NE ARG A 13 5.856 20.835 -5.727 1.00 0.00 N ATOM 220 CZ ARG A 13 6.669 21.758 -6.246 1.00 0.00 C ATOM 221 NH1 ARG A 13 6.320 22.571 -7.211 1.00 0.00 N ATOM 222 NH2 ARG A 13 7.873 21.859 -5.762 1.00 0.00 N ATOM 0 H ARG A 13 2.428 18.043 -4.770 1.00 0.00 H new ATOM 0 HA ARG A 13 2.432 19.917 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.719 20.851 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.377 22.010 -5.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.561 22.546 -5.909 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.795 21.702 -4.391 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.163 19.564 -5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.340 20.683 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 13 6.240 20.243 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.382 22.519 -7.607 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.986 23.256 -7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.172 21.242 -5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.517 22.555 -6.138 1.00 0.00 H new ATOM 236 N ARG A 14 -0.840 20.281 -4.092 1.00 0.00 N ATOM 237 CA ARG A 14 -2.076 20.635 -3.337 1.00 0.00 C ATOM 238 C ARG A 14 -3.348 20.052 -4.051 1.00 0.00 C ATOM 239 O ARG A 14 -3.339 19.967 -5.288 1.00 0.00 O ATOM 240 CB ARG A 14 -2.152 22.189 -3.148 1.00 0.00 C ATOM 241 CG ARG A 14 -2.451 22.658 -1.700 1.00 0.00 C ATOM 242 CD ARG A 14 -1.598 23.865 -1.265 1.00 0.00 C ATOM 243 NE ARG A 14 -1.915 24.270 0.134 1.00 0.00 N ATOM 244 CZ ARG A 14 -2.838 25.163 0.498 1.00 0.00 C ATOM 245 NH1 ARG A 14 -3.617 25.787 -0.351 1.00 0.00 N ATOM 246 NH2 ARG A 14 -2.976 25.426 1.765 1.00 0.00 N ATOM 0 H ARG A 14 -1.012 20.051 -5.071 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.041 20.183 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.206 22.626 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.924 22.583 -3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.506 22.919 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.275 21.830 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.540 23.614 -1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.777 24.703 -1.939 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.379 23.825 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.536 25.600 -1.350 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.305 26.460 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.387 24.954 2.451 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.673 26.104 2.072 1.00 0.00 H new ATOM 260 N PRO A 15 -4.470 19.663 -3.367 1.00 0.00 N ATOM 261 CA PRO A 15 -5.616 19.000 -4.041 1.00 0.00 C ATOM 262 C PRO A 15 -6.467 19.960 -4.935 1.00 0.00 C ATOM 263 O PRO A 15 -7.310 20.718 -4.451 1.00 0.00 O ATOM 264 CB PRO A 15 -6.365 18.358 -2.857 1.00 0.00 C ATOM 265 CG PRO A 15 -6.065 19.260 -1.660 1.00 0.00 C ATOM 266 CD PRO A 15 -4.638 19.757 -1.901 1.00 0.00 C ATOM 0 HA PRO A 15 -5.319 18.262 -4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.436 18.304 -3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.021 17.339 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.770 20.090 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.141 18.711 -0.721 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.507 20.780 -1.549 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.907 19.143 -1.375 1.00 0.00 H new ATOM 274 N ARG A 16 -6.222 19.901 -6.256 1.00 0.00 N ATOM 275 CA ARG A 16 -6.905 20.765 -7.261 1.00 0.00 C ATOM 276 C ARG A 16 -8.432 20.460 -7.403 1.00 0.00 C ATOM 277 O ARG A 16 -9.249 21.272 -6.963 1.00 0.00 O ATOM 278 CB ARG A 16 -6.106 20.687 -8.599 1.00 0.00 C ATOM 279 CG ARG A 16 -4.873 21.619 -8.674 1.00 0.00 C ATOM 280 CD ARG A 16 -4.023 21.394 -9.942 1.00 0.00 C ATOM 281 NE ARG A 16 -3.195 22.597 -10.257 1.00 0.00 N ATOM 282 CZ ARG A 16 -3.580 23.623 -11.024 1.00 0.00 C ATOM 283 NH1 ARG A 16 -4.747 23.687 -11.617 1.00 0.00 N ATOM 284 NH2 ARG A 16 -2.757 24.618 -11.188 1.00 0.00 N ATOM 0 H ARG A 16 -5.547 19.256 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.897 21.799 -6.917 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.776 19.659 -8.750 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.778 20.930 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.206 22.656 -8.646 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.251 21.461 -7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.374 20.530 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.676 21.167 -10.785 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.259 22.639 -9.854 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.418 22.927 -11.505 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.984 24.497 -12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.843 24.603 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.027 25.412 -11.768 1.00 0.00 H new ATOM 298 N SER A 17 -8.824 19.309 -7.984 1.00 0.00 N ATOM 299 CA SER A 17 -10.234 18.832 -7.952 1.00 0.00 C ATOM 300 C SER A 17 -10.290 17.300 -8.232 1.00 0.00 C ATOM 301 O SER A 17 -9.691 16.797 -9.189 1.00 0.00 O ATOM 302 CB SER A 17 -11.134 19.625 -8.931 1.00 0.00 C ATOM 303 OG SER A 17 -12.501 19.246 -8.773 1.00 0.00 O ATOM 0 H SER A 17 -8.188 18.687 -8.483 1.00 0.00 H new ATOM 0 HA SER A 17 -10.630 19.013 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.024 20.694 -8.750 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.816 19.441 -9.957 1.00 0.00 H new ATOM 0 HG SER A 17 -13.057 19.757 -9.398 1.00 0.00 H new ATOM 309 N LEU A 18 -11.050 16.558 -7.410 1.00 0.00 N ATOM 310 CA LEU A 18 -11.235 15.081 -7.572 1.00 0.00 C ATOM 311 C LEU A 18 -11.948 14.639 -8.904 1.00 0.00 C ATOM 312 O LEU A 18 -11.506 13.682 -9.549 1.00 0.00 O ATOM 313 CB LEU A 18 -11.944 14.509 -6.305 1.00 0.00 C ATOM 314 CG LEU A 18 -11.299 14.780 -4.913 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.238 14.336 -3.779 1.00 0.00 C ATOM 316 CD2 LEU A 18 -9.937 14.095 -4.725 1.00 0.00 C ATOM 0 H LEU A 18 -11.556 16.949 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.238 14.650 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.959 14.906 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.026 13.429 -6.429 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.135 15.857 -4.873 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.766 14.535 -2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.175 14.889 -3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.439 13.269 -3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.547 14.327 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.055 13.016 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.241 14.455 -5.482 1.00 0.00 H new ATOM 328 N GLU A 19 -12.989 15.371 -9.355 1.00 0.00 N ATOM 329 CA GLU A 19 -13.508 15.286 -10.755 1.00 0.00 C ATOM 330 C GLU A 19 -12.497 15.604 -11.915 1.00 0.00 C ATOM 331 O GLU A 19 -12.534 14.927 -12.945 1.00 0.00 O ATOM 332 CB GLU A 19 -14.823 16.107 -10.877 1.00 0.00 C ATOM 333 CG GLU A 19 -14.733 17.644 -10.653 1.00 0.00 C ATOM 334 CD GLU A 19 -15.993 18.449 -10.967 1.00 0.00 C ATOM 335 OE1 GLU A 19 -17.035 17.980 -11.417 1.00 0.00 O ATOM 336 OE2 GLU A 19 -15.819 19.773 -10.699 1.00 0.00 O ATOM 0 H GLU A 19 -13.497 16.036 -8.771 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.703 14.226 -10.916 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.236 15.935 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.539 15.704 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -14.463 17.823 -9.612 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.918 18.032 -11.264 1.00 0.00 H new ATOM 343 N THR A 20 -11.588 16.587 -11.749 1.00 0.00 N ATOM 344 CA THR A 20 -10.439 16.821 -12.680 1.00 0.00 C ATOM 345 C THR A 20 -9.415 15.636 -12.732 1.00 0.00 C ATOM 346 O THR A 20 -9.086 15.188 -13.832 1.00 0.00 O ATOM 347 CB THR A 20 -9.792 18.205 -12.358 1.00 0.00 C ATOM 348 OG1 THR A 20 -10.751 19.248 -12.488 1.00 0.00 O ATOM 349 CG2 THR A 20 -8.628 18.625 -13.264 1.00 0.00 C ATOM 0 H THR A 20 -11.620 17.246 -10.971 1.00 0.00 H new ATOM 0 HA THR A 20 -10.824 16.854 -13.699 1.00 0.00 H new ATOM 0 HB THR A 20 -9.416 18.068 -11.344 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.329 20.108 -12.281 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.256 19.600 -12.950 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.826 17.890 -13.191 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.973 18.684 -14.296 1.00 0.00 H new ATOM 357 N VAL A 21 -8.979 15.078 -11.583 1.00 0.00 N ATOM 358 CA VAL A 21 -8.241 13.770 -11.520 1.00 0.00 C ATOM 359 C VAL A 21 -8.976 12.587 -12.252 1.00 0.00 C ATOM 360 O VAL A 21 -8.362 11.911 -13.081 1.00 0.00 O ATOM 361 CB VAL A 21 -7.853 13.423 -10.035 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.062 12.101 -9.878 1.00 0.00 C ATOM 363 CG2 VAL A 21 -7.016 14.523 -9.339 1.00 0.00 C ATOM 0 H VAL A 21 -9.121 15.508 -10.669 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.319 13.902 -12.086 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.829 13.329 -9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.834 11.936 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.661 11.272 -10.254 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.133 12.163 -10.445 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.786 14.215 -8.319 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.088 14.677 -9.890 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.584 15.453 -9.317 1.00 0.00 H new ATOM 373 N ARG A 22 -10.282 12.370 -11.999 1.00 0.00 N ATOM 374 CA ARG A 22 -11.108 11.389 -12.764 1.00 0.00 C ATOM 375 C ARG A 22 -11.239 11.676 -14.305 1.00 0.00 C ATOM 376 O ARG A 22 -11.160 10.741 -15.105 1.00 0.00 O ATOM 377 CB ARG A 22 -12.469 11.252 -12.017 1.00 0.00 C ATOM 378 CG ARG A 22 -13.254 9.932 -12.241 1.00 0.00 C ATOM 379 CD ARG A 22 -14.073 9.801 -13.543 1.00 0.00 C ATOM 380 NE ARG A 22 -15.354 10.568 -13.492 1.00 0.00 N ATOM 381 CZ ARG A 22 -15.602 11.730 -14.101 1.00 0.00 C ATOM 382 NH1 ARG A 22 -14.725 12.381 -14.821 1.00 0.00 N ATOM 383 NH2 ARG A 22 -16.787 12.253 -13.969 1.00 0.00 N ATOM 0 H ARG A 22 -10.798 12.860 -11.268 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.593 10.429 -12.779 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.284 11.361 -10.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.107 12.083 -12.316 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.542 9.108 -12.207 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.935 9.799 -11.401 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.474 10.155 -14.382 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.290 8.749 -13.728 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.111 10.166 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.785 12.004 -14.944 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.981 13.266 -15.260 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.496 11.776 -13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.006 13.140 -14.422 1.00 0.00 H new ATOM 397 N ARG A 23 -11.419 12.941 -14.740 1.00 0.00 N ATOM 398 CA ARG A 23 -11.280 13.344 -16.175 1.00 0.00 C ATOM 399 C ARG A 23 -9.861 13.127 -16.811 1.00 0.00 C ATOM 400 O ARG A 23 -9.777 12.672 -17.954 1.00 0.00 O ATOM 401 CB ARG A 23 -11.792 14.806 -16.324 1.00 0.00 C ATOM 402 CG ARG A 23 -12.182 15.205 -17.771 1.00 0.00 C ATOM 403 CD ARG A 23 -12.831 16.599 -17.856 1.00 0.00 C ATOM 404 NE ARG A 23 -13.249 16.871 -19.260 1.00 0.00 N ATOM 405 CZ ARG A 23 -13.968 17.921 -19.665 1.00 0.00 C ATOM 406 NH1 ARG A 23 -14.381 18.872 -18.864 1.00 0.00 N ATOM 407 NH2 ARG A 23 -14.278 18.008 -20.927 1.00 0.00 N ATOM 0 H ARG A 23 -11.663 13.714 -14.120 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.897 12.663 -16.761 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.658 14.942 -15.677 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.018 15.487 -15.969 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -11.292 15.186 -18.400 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -12.872 14.464 -18.173 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.694 16.650 -17.192 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.126 17.360 -17.522 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.962 16.199 -19.972 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -14.156 18.835 -17.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.928 19.649 -19.235 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.972 17.285 -21.578 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.826 18.799 -21.264 1.00 0.00 H new ATOM 421 N TRP A 24 -8.765 13.394 -16.077 1.00 0.00 N ATOM 422 CA TRP A 24 -7.386 12.962 -16.458 1.00 0.00 C ATOM 423 C TRP A 24 -7.178 11.410 -16.596 1.00 0.00 C ATOM 424 O TRP A 24 -6.492 10.982 -17.527 1.00 0.00 O ATOM 425 CB TRP A 24 -6.370 13.598 -15.463 1.00 0.00 C ATOM 426 CG TRP A 24 -6.187 15.133 -15.434 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.936 16.125 -16.115 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.331 15.841 -14.605 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.515 17.430 -15.787 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.544 17.227 -14.819 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.460 15.404 -13.574 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.904 18.180 -13.986 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.854 16.360 -12.760 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.064 17.727 -12.968 1.00 0.00 C ATOM 0 H TRP A 24 -8.799 13.915 -15.201 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.212 13.326 -17.471 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.657 13.285 -14.459 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.394 13.157 -15.667 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.737 15.906 -16.806 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.847 18.315 -16.171 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.270 14.352 -13.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.064 19.237 -14.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.211 16.039 -11.954 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.568 18.444 -12.330 1.00 0.00 H new ATOM 445 N VAL A 25 -7.795 10.573 -15.736 1.00 0.00 N ATOM 446 CA VAL A 25 -7.899 9.092 -15.952 1.00 0.00 C ATOM 447 C VAL A 25 -8.766 8.709 -17.208 1.00 0.00 C ATOM 448 O VAL A 25 -8.297 7.914 -18.026 1.00 0.00 O ATOM 449 CB VAL A 25 -8.329 8.362 -14.627 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.482 6.828 -14.775 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.347 8.572 -13.449 1.00 0.00 C ATOM 0 H VAL A 25 -8.237 10.890 -14.873 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.904 8.723 -16.200 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.292 8.827 -14.416 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.780 6.398 -13.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.243 6.609 -15.524 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.531 6.396 -15.086 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.712 8.038 -12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.363 8.190 -13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.273 9.636 -13.222 1.00 0.00 H new ATOM 461 N ARG A 26 -9.980 9.276 -17.401 1.00 0.00 N ATOM 462 CA ARG A 26 -10.752 9.121 -18.678 1.00 0.00 C ATOM 463 C ARG A 26 -9.995 9.503 -19.996 1.00 0.00 C ATOM 464 O ARG A 26 -10.062 8.747 -20.968 1.00 0.00 O ATOM 465 CB ARG A 26 -12.105 9.889 -18.639 1.00 0.00 C ATOM 466 CG ARG A 26 -13.205 9.336 -17.698 1.00 0.00 C ATOM 467 CD ARG A 26 -14.613 9.592 -18.271 1.00 0.00 C ATOM 468 NE ARG A 26 -15.674 9.126 -17.338 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.964 8.982 -17.658 1.00 0.00 C ATOM 470 NH1 ARG A 26 -17.451 9.227 -18.851 1.00 0.00 N ATOM 471 NH2 ARG A 26 -17.789 8.573 -16.738 1.00 0.00 N ATOM 0 H ARG A 26 -10.453 9.844 -16.698 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.916 8.044 -18.723 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.900 10.920 -18.350 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.508 9.915 -19.651 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.058 8.266 -17.553 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.118 9.805 -16.718 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.740 10.657 -18.465 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.717 9.079 -19.227 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.396 8.899 -16.383 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.834 9.547 -19.598 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -18.446 9.097 -19.032 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.446 8.371 -15.799 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.778 8.455 -16.956 1.00 0.00 H new ATOM 485 N GLU A 27 -9.279 10.642 -20.034 1.00 0.00 N ATOM 486 CA GLU A 27 -8.407 11.011 -21.192 1.00 0.00 C ATOM 487 C GLU A 27 -6.966 10.356 -21.203 1.00 0.00 C ATOM 488 O GLU A 27 -6.077 10.853 -21.898 1.00 0.00 O ATOM 489 CB GLU A 27 -8.413 12.578 -21.261 1.00 0.00 C ATOM 490 CG GLU A 27 -8.652 13.201 -22.659 1.00 0.00 C ATOM 491 CD GLU A 27 -7.484 13.097 -23.636 1.00 0.00 C ATOM 492 OE1 GLU A 27 -6.498 13.829 -23.599 1.00 0.00 O ATOM 493 OE2 GLU A 27 -7.668 12.112 -24.559 1.00 0.00 O ATOM 0 H GLU A 27 -9.279 11.331 -19.281 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.816 10.583 -22.107 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.184 12.948 -20.585 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.457 12.941 -20.883 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.521 12.720 -23.107 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.902 14.254 -22.530 1.00 0.00 H new ATOM 500 N SER A 28 -6.733 9.243 -20.466 1.00 0.00 N ATOM 501 CA SER A 28 -5.435 8.498 -20.392 1.00 0.00 C ATOM 502 C SER A 28 -4.142 9.337 -20.110 1.00 0.00 C ATOM 503 O SER A 28 -3.159 9.274 -20.853 1.00 0.00 O ATOM 504 CB SER A 28 -5.318 7.515 -21.587 1.00 0.00 C ATOM 505 OG SER A 28 -6.334 6.511 -21.532 1.00 0.00 O ATOM 0 H SER A 28 -7.458 8.820 -19.887 1.00 0.00 H new ATOM 0 HA SER A 28 -5.485 7.921 -19.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.398 8.066 -22.524 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.336 7.043 -21.578 1.00 0.00 H new ATOM 0 HG SER A 28 -6.238 5.906 -22.297 1.00 0.00 H new ATOM 511 N ARG A 29 -4.152 10.120 -19.016 1.00 0.00 N ATOM 512 CA ARG A 29 -3.082 11.124 -18.731 1.00 0.00 C ATOM 513 C ARG A 29 -2.163 10.738 -17.528 1.00 0.00 C ATOM 514 O ARG A 29 -0.941 10.854 -17.653 1.00 0.00 O ATOM 515 CB ARG A 29 -3.695 12.555 -18.618 1.00 0.00 C ATOM 516 CG ARG A 29 -4.548 12.999 -19.844 1.00 0.00 C ATOM 517 CD ARG A 29 -4.453 14.470 -20.272 1.00 0.00 C ATOM 518 NE ARG A 29 -5.304 15.421 -19.509 1.00 0.00 N ATOM 519 CZ ARG A 29 -5.581 16.669 -19.905 1.00 0.00 C ATOM 520 NH1 ARG A 29 -5.245 17.153 -21.078 1.00 0.00 N ATOM 521 NH2 ARG A 29 -6.217 17.457 -19.093 1.00 0.00 N ATOM 0 H ARG A 29 -4.885 10.085 -18.308 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.402 11.127 -19.583 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.318 12.599 -17.725 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.886 13.272 -18.477 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.262 12.381 -20.695 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.593 12.778 -19.626 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.414 14.789 -20.183 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.718 14.540 -21.327 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.703 15.101 -18.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.744 16.568 -21.746 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.485 18.114 -21.321 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.497 17.122 -18.171 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.437 18.412 -19.377 1.00 0.00 H new ATOM 535 N ILE A 30 -2.718 10.292 -16.381 1.00 0.00 N ATOM 536 CA ILE A 30 -1.921 9.864 -15.186 1.00 0.00 C ATOM 537 C ILE A 30 -1.344 8.423 -15.413 1.00 0.00 C ATOM 538 O ILE A 30 -2.103 7.457 -15.554 1.00 0.00 O ATOM 539 CB ILE A 30 -2.752 9.996 -13.858 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.312 11.430 -13.597 1.00 0.00 C ATOM 541 CG2 ILE A 30 -1.915 9.557 -12.623 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.518 11.468 -12.645 1.00 0.00 C ATOM 0 H ILE A 30 -3.726 10.214 -16.246 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.072 10.537 -15.067 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.604 9.331 -13.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.516 12.050 -13.183 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.600 11.875 -14.549 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.517 9.660 -11.720 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.612 8.517 -12.740 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.029 10.186 -12.542 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.847 12.499 -12.516 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.332 10.877 -13.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.231 11.055 -11.678 1.00 0.00 H new ATOM 554 N PHE A 31 -0.004 8.300 -15.428 1.00 0.00 N ATOM 555 CA PHE A 31 0.699 7.019 -15.700 1.00 0.00 C ATOM 556 C PHE A 31 1.673 6.610 -14.522 1.00 0.00 C ATOM 557 O PHE A 31 2.461 7.461 -14.089 1.00 0.00 O ATOM 558 CB PHE A 31 1.425 7.168 -17.069 1.00 0.00 C ATOM 559 CG PHE A 31 2.025 5.853 -17.596 1.00 0.00 C ATOM 560 CD1 PHE A 31 1.218 4.923 -18.262 1.00 0.00 C ATOM 561 CD2 PHE A 31 3.353 5.525 -17.304 1.00 0.00 C ATOM 562 CE1 PHE A 31 1.729 3.674 -18.609 1.00 0.00 C ATOM 563 CE2 PHE A 31 3.861 4.276 -17.651 1.00 0.00 C ATOM 564 CZ PHE A 31 3.048 3.350 -18.300 1.00 0.00 C ATOM 0 H PHE A 31 0.627 9.082 -15.253 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.016 6.198 -15.756 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.720 7.556 -17.804 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.221 7.906 -16.970 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.197 5.174 -18.507 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.987 6.244 -16.807 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.102 2.957 -19.118 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.885 4.025 -17.417 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.441 2.379 -18.564 1.00 0.00 H new ATOM 574 N PRO A 32 1.708 5.334 -14.016 1.00 0.00 N ATOM 575 CA PRO A 32 0.789 4.235 -14.428 1.00 0.00 C ATOM 576 C PRO A 32 -0.701 4.411 -13.956 1.00 0.00 C ATOM 577 O PRO A 32 -0.933 5.082 -12.941 1.00 0.00 O ATOM 578 CB PRO A 32 1.482 2.987 -13.846 1.00 0.00 C ATOM 579 CG PRO A 32 2.277 3.490 -12.643 1.00 0.00 C ATOM 580 CD PRO A 32 2.748 4.879 -13.070 1.00 0.00 C ATOM 0 HA PRO A 32 0.655 4.190 -15.509 1.00 0.00 H new ATOM 0 HB2 PRO A 32 0.752 2.235 -13.548 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.136 2.521 -14.583 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.659 3.536 -11.746 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.118 2.835 -12.417 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.833 5.552 -12.216 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.729 4.840 -13.544 1.00 0.00 H new ATOM 588 N PRO A 33 -1.737 3.856 -14.655 1.00 0.00 N ATOM 589 CA PRO A 33 -3.156 4.033 -14.246 1.00 0.00 C ATOM 590 C PRO A 33 -3.523 3.389 -12.858 1.00 0.00 C ATOM 591 O PRO A 33 -2.928 2.363 -12.501 1.00 0.00 O ATOM 592 CB PRO A 33 -3.914 3.402 -15.432 1.00 0.00 C ATOM 593 CG PRO A 33 -2.956 2.354 -16.003 1.00 0.00 C ATOM 594 CD PRO A 33 -1.574 2.988 -15.840 1.00 0.00 C ATOM 0 HA PRO A 33 -3.412 5.077 -14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.848 2.946 -15.105 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.170 4.152 -16.180 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -3.028 1.410 -15.462 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.176 2.140 -17.049 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.802 2.235 -15.684 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.287 3.561 -16.722 1.00 0.00 H new ATOM 602 N PRO A 34 -4.474 3.933 -12.044 1.00 0.00 N ATOM 603 CA PRO A 34 -4.780 3.374 -10.701 1.00 0.00 C ATOM 604 C PRO A 34 -5.427 1.957 -10.704 1.00 0.00 C ATOM 605 O PRO A 34 -6.257 1.622 -11.557 1.00 0.00 O ATOM 606 CB PRO A 34 -5.715 4.450 -10.125 1.00 0.00 C ATOM 607 CG PRO A 34 -6.392 5.082 -11.345 1.00 0.00 C ATOM 608 CD PRO A 34 -5.279 5.123 -12.388 1.00 0.00 C ATOM 0 HA PRO A 34 -3.879 3.191 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.449 4.013 -9.448 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.158 5.193 -9.554 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.240 4.488 -11.686 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.770 6.080 -11.122 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.672 5.067 -13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.695 6.041 -12.322 1.00 0.00 H new ATOM 616 N VAL A 35 -5.074 1.142 -9.697 1.00 0.00 N ATOM 617 CA VAL A 35 -5.688 -0.203 -9.497 1.00 0.00 C ATOM 618 C VAL A 35 -7.142 0.001 -8.956 1.00 0.00 C ATOM 619 O VAL A 35 -7.342 0.494 -7.838 1.00 0.00 O ATOM 620 CB VAL A 35 -4.793 -1.111 -8.580 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.428 -2.488 -8.259 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.387 -1.393 -9.163 1.00 0.00 C ATOM 0 H VAL A 35 -4.367 1.381 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.750 -0.742 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.707 -0.517 -7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.754 -3.060 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.376 -2.340 -7.743 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.601 -3.034 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.828 -2.026 -8.474 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.486 -1.900 -10.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.856 -0.452 -9.303 1.00 0.00 H new ATOM 632 N LYS A 36 -8.152 -0.376 -9.760 1.00 0.00 N ATOM 633 CA LYS A 36 -9.579 -0.279 -9.352 1.00 0.00 C ATOM 634 C LYS A 36 -9.961 -1.440 -8.373 1.00 0.00 C ATOM 635 O LYS A 36 -10.478 -2.491 -8.764 1.00 0.00 O ATOM 636 CB LYS A 36 -10.439 -0.201 -10.643 1.00 0.00 C ATOM 637 CG LYS A 36 -11.912 0.197 -10.390 1.00 0.00 C ATOM 638 CD LYS A 36 -12.724 0.354 -11.694 1.00 0.00 C ATOM 639 CE LYS A 36 -14.206 0.716 -11.483 1.00 0.00 C ATOM 640 NZ LYS A 36 -14.380 2.102 -11.002 1.00 0.00 N ATOM 0 H LYS A 36 -8.014 -0.752 -10.698 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.773 0.626 -8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.989 0.521 -11.325 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.415 -1.169 -11.143 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.385 -0.558 -9.762 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.940 1.135 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.258 1.126 -12.307 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.667 -0.578 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.746 0.588 -12.421 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.648 0.026 -10.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.325 2.446 -11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.281 2.125 -9.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.656 2.712 -11.433 1.00 0.00 H new ATOM 653 N ASP A 37 -9.685 -1.216 -7.080 1.00 0.00 N ATOM 654 CA ASP A 37 -10.080 -2.129 -5.979 1.00 0.00 C ATOM 655 C ASP A 37 -11.613 -2.033 -5.666 1.00 0.00 C ATOM 656 O ASP A 37 -12.253 -1.026 -5.989 1.00 0.00 O ATOM 657 CB ASP A 37 -9.165 -1.720 -4.790 1.00 0.00 C ATOM 658 CG ASP A 37 -9.136 -2.700 -3.623 1.00 0.00 C ATOM 659 OD1 ASP A 37 -8.524 -3.761 -3.641 1.00 0.00 O ATOM 660 OD2 ASP A 37 -9.875 -2.270 -2.564 1.00 0.00 O ATOM 0 H ASP A 37 -9.178 -0.392 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.942 -3.181 -6.228 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.148 -1.594 -5.162 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.492 -0.749 -4.419 1.00 0.00 H new ATOM 665 N GLY A 38 -12.174 -3.084 -5.030 1.00 0.00 N ATOM 666 CA GLY A 38 -13.632 -3.230 -4.704 1.00 0.00 C ATOM 667 C GLY A 38 -14.628 -2.045 -4.775 1.00 0.00 C ATOM 668 O GLY A 38 -15.588 -2.097 -5.546 1.00 0.00 O ATOM 0 H GLY A 38 -11.621 -3.882 -4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.022 -4.004 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.686 -3.621 -3.688 1.00 0.00 H new ATOM 672 N ARG A 39 -14.379 -0.972 -4.004 1.00 0.00 N ATOM 673 CA ARG A 39 -14.979 0.364 -4.310 1.00 0.00 C ATOM 674 C ARG A 39 -13.978 1.553 -4.036 1.00 0.00 C ATOM 675 O ARG A 39 -14.326 2.516 -3.348 1.00 0.00 O ATOM 676 CB ARG A 39 -16.350 0.442 -3.559 1.00 0.00 C ATOM 677 CG ARG A 39 -17.468 1.304 -4.196 1.00 0.00 C ATOM 678 CD ARG A 39 -17.231 2.822 -4.139 1.00 0.00 C ATOM 679 NE ARG A 39 -18.476 3.551 -4.499 1.00 0.00 N ATOM 680 CZ ARG A 39 -18.611 4.877 -4.509 1.00 0.00 C ATOM 681 NH1 ARG A 39 -17.619 5.706 -4.290 1.00 0.00 N ATOM 682 NH2 ARG A 39 -19.788 5.376 -4.749 1.00 0.00 N ATOM 0 H ARG A 39 -13.781 -0.988 -3.178 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.177 0.475 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.731 -0.573 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.162 0.823 -2.555 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.584 1.009 -5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.409 1.079 -3.694 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.909 3.110 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.429 3.098 -4.823 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.290 2.993 -4.758 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.685 5.344 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.782 6.713 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.579 4.756 -4.923 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -19.920 6.387 -4.763 1.00 0.00 H new ATOM 696 N GLU A 40 -12.747 1.524 -4.599 1.00 0.00 N ATOM 697 CA GLU A 40 -11.737 2.618 -4.442 1.00 0.00 C ATOM 698 C GLU A 40 -10.585 2.508 -5.498 1.00 0.00 C ATOM 699 O GLU A 40 -10.017 1.434 -5.718 1.00 0.00 O ATOM 700 CB GLU A 40 -11.152 2.681 -2.989 1.00 0.00 C ATOM 701 CG GLU A 40 -11.587 3.943 -2.202 1.00 0.00 C ATOM 702 CD GLU A 40 -11.020 4.084 -0.786 1.00 0.00 C ATOM 703 OE1 GLU A 40 -10.291 3.260 -0.241 1.00 0.00 O ATOM 704 OE2 GLU A 40 -11.428 5.249 -0.200 1.00 0.00 O ATOM 0 H GLU A 40 -12.419 0.748 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.270 3.552 -4.624 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.467 1.794 -2.440 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.064 2.653 -3.042 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.297 4.822 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.675 3.949 -2.138 1.00 0.00 H new ATOM 711 N TYR A 41 -10.182 3.644 -6.099 1.00 0.00 N ATOM 712 CA TYR A 41 -8.986 3.707 -6.992 1.00 0.00 C ATOM 713 C TYR A 41 -7.658 3.870 -6.181 1.00 0.00 C ATOM 714 O TYR A 41 -7.441 4.883 -5.503 1.00 0.00 O ATOM 715 CB TYR A 41 -9.154 4.879 -8.002 1.00 0.00 C ATOM 716 CG TYR A 41 -10.046 4.595 -9.221 1.00 0.00 C ATOM 717 CD1 TYR A 41 -9.594 3.739 -10.235 1.00 0.00 C ATOM 718 CD2 TYR A 41 -11.281 5.233 -9.364 1.00 0.00 C ATOM 719 CE1 TYR A 41 -10.360 3.545 -11.382 1.00 0.00 C ATOM 720 CE2 TYR A 41 -12.052 5.026 -10.507 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.587 4.186 -11.516 1.00 0.00 C ATOM 722 OH TYR A 41 -12.352 3.981 -12.633 1.00 0.00 O ATOM 0 H TYR A 41 -10.662 4.537 -5.988 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.917 2.763 -7.533 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.564 5.736 -7.468 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.166 5.169 -8.359 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.649 3.228 -10.126 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.640 5.890 -8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.001 2.897 -12.168 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.009 5.516 -10.610 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.178 4.504 -12.564 1.00 0.00 H new ATOM 732 N LEU A 42 -6.763 2.875 -6.294 1.00 0.00 N ATOM 733 CA LEU A 42 -5.442 2.879 -5.610 1.00 0.00 C ATOM 734 C LEU A 42 -4.331 3.374 -6.592 1.00 0.00 C ATOM 735 O LEU A 42 -3.903 2.656 -7.504 1.00 0.00 O ATOM 736 CB LEU A 42 -5.148 1.449 -5.069 1.00 0.00 C ATOM 737 CG LEU A 42 -6.071 0.876 -3.960 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.686 -0.587 -3.672 1.00 0.00 C ATOM 739 CD2 LEU A 42 -6.008 1.683 -2.650 1.00 0.00 C ATOM 0 H LEU A 42 -6.926 2.042 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.455 3.568 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.178 0.761 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.127 1.441 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.093 0.942 -4.333 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.335 -0.987 -2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.801 -1.179 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.649 -0.632 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.674 1.234 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.987 1.677 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.318 2.711 -2.840 1.00 0.00 H new ATOM 751 N PHE A 43 -3.870 4.616 -6.397 1.00 0.00 N ATOM 752 CA PHE A 43 -2.780 5.230 -7.207 1.00 0.00 C ATOM 753 C PHE A 43 -1.374 4.849 -6.657 1.00 0.00 C ATOM 754 O PHE A 43 -1.182 4.670 -5.455 1.00 0.00 O ATOM 755 CB PHE A 43 -2.952 6.777 -7.169 1.00 0.00 C ATOM 756 CG PHE A 43 -4.038 7.354 -8.088 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.383 7.282 -7.715 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.695 7.938 -9.314 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.370 7.773 -8.562 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.688 8.448 -10.148 1.00 0.00 C ATOM 761 CZ PHE A 43 -6.023 8.378 -9.765 1.00 0.00 C ATOM 0 H PHE A 43 -4.236 5.235 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.848 4.856 -8.229 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.176 7.073 -6.144 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.999 7.236 -7.433 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.656 6.844 -6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.659 7.993 -9.614 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.410 7.684 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.421 8.898 -11.093 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.790 8.793 -10.402 1.00 0.00 H new ATOM 771 N HIS A 44 -0.360 4.780 -7.527 1.00 0.00 N ATOM 772 CA HIS A 44 1.046 4.553 -7.092 1.00 0.00 C ATOM 773 C HIS A 44 1.753 5.874 -6.618 1.00 0.00 C ATOM 774 O HIS A 44 1.524 6.963 -7.153 1.00 0.00 O ATOM 775 CB HIS A 44 1.731 3.838 -8.293 1.00 0.00 C ATOM 776 CG HIS A 44 3.176 3.380 -8.100 1.00 0.00 C ATOM 777 ND1 HIS A 44 3.679 2.764 -6.968 1.00 0.00 N ATOM 778 CD2 HIS A 44 4.210 3.590 -9.026 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.006 2.707 -7.301 1.00 0.00 C ATOM 780 NE2 HIS A 44 5.428 3.164 -8.520 1.00 0.00 N ATOM 0 H HIS A 44 -0.474 4.876 -8.536 1.00 0.00 H new ATOM 0 HA HIS A 44 1.109 3.929 -6.201 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.132 2.965 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.702 4.512 -9.149 1.00 0.00 H new ATOM 0 HD2 HIS A 44 4.074 4.026 -10.005 1.00 0.00 H new ATOM 0 HE1 HIS A 44 5.721 2.301 -6.601 1.00 0.00 H new ATOM 0 HE2 HIS A 44 6.360 3.185 -8.933 1.00 0.00 H new ATOM 788 N GLU A 45 2.677 5.765 -5.644 1.00 0.00 N ATOM 789 CA GLU A 45 3.603 6.877 -5.261 1.00 0.00 C ATOM 790 C GLU A 45 4.462 7.494 -6.421 1.00 0.00 C ATOM 791 O GLU A 45 4.638 8.716 -6.444 1.00 0.00 O ATOM 792 CB GLU A 45 4.505 6.426 -4.073 1.00 0.00 C ATOM 793 CG GLU A 45 3.860 6.424 -2.660 1.00 0.00 C ATOM 794 CD GLU A 45 3.027 5.203 -2.264 1.00 0.00 C ATOM 795 OE1 GLU A 45 2.570 4.383 -3.055 1.00 0.00 O ATOM 796 OE2 GLU A 45 2.856 5.126 -0.915 1.00 0.00 O ATOM 0 H GLU A 45 2.812 4.915 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 45 2.951 7.698 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.864 5.418 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.379 7.076 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.658 6.539 -1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.224 7.305 -2.580 1.00 0.00 H new ATOM 803 N SER A 46 4.954 6.691 -7.387 1.00 0.00 N ATOM 804 CA SER A 46 5.453 7.224 -8.689 1.00 0.00 C ATOM 805 C SER A 46 4.388 7.212 -9.853 1.00 0.00 C ATOM 806 O SER A 46 4.696 6.831 -10.986 1.00 0.00 O ATOM 807 CB SER A 46 6.779 6.494 -9.010 1.00 0.00 C ATOM 808 OG SER A 46 7.506 7.206 -10.011 1.00 0.00 O ATOM 0 H SER A 46 5.020 5.677 -7.299 1.00 0.00 H new ATOM 0 HA SER A 46 5.648 8.292 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.382 6.406 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.570 5.481 -9.354 1.00 0.00 H new ATOM 0 HG SER A 46 6.916 7.397 -10.770 1.00 0.00 H new ATOM 814 N ALA A 47 3.145 7.680 -9.601 1.00 0.00 N ATOM 815 CA ALA A 47 2.154 8.001 -10.665 1.00 0.00 C ATOM 816 C ALA A 47 2.140 9.526 -10.980 1.00 0.00 C ATOM 817 O ALA A 47 1.986 10.363 -10.083 1.00 0.00 O ATOM 818 CB ALA A 47 0.777 7.457 -10.245 1.00 0.00 C ATOM 0 H ALA A 47 2.796 7.847 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 47 2.437 7.514 -11.598 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.044 7.687 -11.018 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.838 6.377 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.473 7.921 -9.307 1.00 0.00 H new ATOM 824 N VAL A 48 2.327 9.880 -12.261 1.00 0.00 N ATOM 825 CA VAL A 48 2.478 11.299 -12.713 1.00 0.00 C ATOM 826 C VAL A 48 1.758 11.516 -14.088 1.00 0.00 C ATOM 827 O VAL A 48 1.655 10.606 -14.918 1.00 0.00 O ATOM 828 CB VAL A 48 3.976 11.782 -12.748 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.606 11.939 -11.346 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.925 10.937 -13.632 1.00 0.00 C ATOM 0 H VAL A 48 2.380 9.203 -13.022 1.00 0.00 H new ATOM 0 HA VAL A 48 1.990 11.926 -11.967 1.00 0.00 H new ATOM 0 HB VAL A 48 3.886 12.762 -13.216 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.638 12.274 -11.446 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.040 12.673 -10.773 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.585 10.980 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.931 11.353 -13.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.941 9.909 -13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.572 10.953 -14.663 1.00 0.00 H new ATOM 840 N LYS A 49 1.259 12.741 -14.343 1.00 0.00 N ATOM 841 CA LYS A 49 0.549 13.076 -15.609 1.00 0.00 C ATOM 842 C LYS A 49 1.500 13.463 -16.788 1.00 0.00 C ATOM 843 O LYS A 49 2.197 14.481 -16.739 1.00 0.00 O ATOM 844 CB LYS A 49 -0.608 14.086 -15.373 1.00 0.00 C ATOM 845 CG LYS A 49 -0.286 15.483 -14.786 1.00 0.00 C ATOM 846 CD LYS A 49 -0.330 15.538 -13.242 1.00 0.00 C ATOM 847 CE LYS A 49 -0.138 16.950 -12.664 1.00 0.00 C ATOM 848 NZ LYS A 49 1.297 17.291 -12.583 1.00 0.00 N ATOM 0 H LYS A 49 1.331 13.522 -13.691 1.00 0.00 H new ATOM 0 HA LYS A 49 0.082 12.152 -15.949 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.109 14.240 -16.329 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.329 13.609 -14.708 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.705 15.788 -15.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.996 16.207 -15.186 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.287 15.143 -12.901 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.445 14.884 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.655 17.678 -13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.587 17.006 -11.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.405 18.248 -12.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.782 16.607 -11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.716 17.258 -13.534 1.00 0.00 H new ATOM 861 N VAL A 50 1.496 12.658 -17.868 1.00 0.00 N ATOM 862 CA VAL A 50 2.336 12.904 -19.085 1.00 0.00 C ATOM 863 C VAL A 50 1.539 13.659 -20.208 1.00 0.00 C ATOM 864 O VAL A 50 1.238 13.123 -21.278 1.00 0.00 O ATOM 865 CB VAL A 50 3.055 11.568 -19.489 1.00 0.00 C ATOM 866 CG1 VAL A 50 2.138 10.398 -19.929 1.00 0.00 C ATOM 867 CG2 VAL A 50 4.141 11.780 -20.568 1.00 0.00 C ATOM 0 H VAL A 50 0.918 11.820 -17.934 1.00 0.00 H new ATOM 0 HA VAL A 50 3.140 13.609 -18.873 1.00 0.00 H new ATOM 0 HB VAL A 50 3.507 11.264 -18.545 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.749 9.532 -20.183 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.462 10.139 -19.114 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.556 10.699 -20.800 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.606 10.824 -20.809 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.686 12.199 -21.465 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.899 12.467 -20.191 1.00 0.00 H new