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 17 SER OG : rot 155:sc= 0.756 USER MOD Set 1.2: A 20 THR OG1 : rot 86:sc= 0.194 USER MOD Set 2.1: A 12 GLN : amide:sc= 0.717 K(o=1.5,f=-1.3) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -170:sc= 0.828 (180deg=0) 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=-0.1) USER MOD Single : A 9 ASN : amide:sc= 0.612 K(o=0.61,f=-0.42) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0.236 USER MOD Single : A 44 HIS : no HD1:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N TYR A 2 1.062 2.026 -3.314 1.00 0.00 N ATOM 19 CA TYR A 2 -0.415 1.975 -3.550 1.00 0.00 C ATOM 20 C TYR A 2 -1.209 2.884 -2.553 1.00 0.00 C ATOM 21 O TYR A 2 -1.801 2.396 -1.584 1.00 0.00 O ATOM 22 CB TYR A 2 -1.042 0.551 -3.664 1.00 0.00 C ATOM 23 CG TYR A 2 -0.406 -0.433 -4.656 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.675 -0.351 -6.027 1.00 0.00 C ATOM 25 CD2 TYR A 2 0.434 -1.444 -4.179 1.00 0.00 C ATOM 26 CE1 TYR A 2 -0.109 -1.273 -6.906 1.00 0.00 C ATOM 27 CE2 TYR A 2 1.003 -2.360 -5.060 1.00 0.00 C ATOM 28 CZ TYR A 2 0.730 -2.274 -6.422 1.00 0.00 C ATOM 29 OH TYR A 2 1.293 -3.170 -7.289 1.00 0.00 O ATOM 0 HA TYR A 2 -0.523 2.389 -4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.016 0.093 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -2.092 0.668 -3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.322 0.427 -6.404 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.643 -1.515 -3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.321 -1.211 -7.963 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.655 -3.136 -4.687 1.00 0.00 H new ATOM 0 HH TYR A 2 1.852 -3.801 -6.790 1.00 0.00 H new ATOM 39 N LEU A 3 -1.234 4.208 -2.793 1.00 0.00 N ATOM 40 CA LEU A 3 -2.035 5.162 -1.975 1.00 0.00 C ATOM 41 C LEU A 3 -3.435 5.462 -2.612 1.00 0.00 C ATOM 42 O LEU A 3 -3.657 5.362 -3.824 1.00 0.00 O ATOM 43 CB LEU A 3 -1.160 6.394 -1.574 1.00 0.00 C ATOM 44 CG LEU A 3 -1.049 7.643 -2.492 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.181 8.719 -1.815 1.00 0.00 C ATOM 46 CD2 LEU A 3 -0.470 7.346 -3.881 1.00 0.00 C ATOM 0 H LEU A 3 -0.710 4.651 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.312 4.702 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.526 6.742 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.146 6.025 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.071 7.993 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.109 9.591 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.635 9.010 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.816 8.320 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.425 8.268 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.534 6.934 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.107 6.625 -4.394 1.00 0.00 H new ATOM 58 N THR A 4 -4.394 5.835 -1.752 1.00 0.00 N ATOM 59 CA THR A 4 -5.788 6.203 -2.158 1.00 0.00 C ATOM 60 C THR A 4 -5.866 7.457 -3.101 1.00 0.00 C ATOM 61 O THR A 4 -5.025 8.351 -3.007 1.00 0.00 O ATOM 62 CB THR A 4 -6.542 6.369 -0.795 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.681 5.097 -0.166 1.00 0.00 O ATOM 64 CG2 THR A 4 -7.959 6.945 -0.838 1.00 0.00 C ATOM 0 H THR A 4 -4.239 5.895 -0.746 1.00 0.00 H new ATOM 0 HA THR A 4 -6.251 5.440 -2.784 1.00 0.00 H new ATOM 0 HB THR A 4 -5.915 7.088 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.151 5.204 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.359 7.004 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.933 7.943 -1.276 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.596 6.300 -1.443 1.00 0.00 H new ATOM 72 N LEU A 5 -6.893 7.562 -3.974 1.00 0.00 N ATOM 73 CA LEU A 5 -7.096 8.746 -4.882 1.00 0.00 C ATOM 74 C LEU A 5 -7.072 10.148 -4.184 1.00 0.00 C ATOM 75 O LEU A 5 -6.339 11.041 -4.620 1.00 0.00 O ATOM 76 CB LEU A 5 -8.386 8.501 -5.730 1.00 0.00 C ATOM 77 CG LEU A 5 -8.612 9.358 -7.015 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.738 8.745 -7.870 1.00 0.00 C ATOM 79 CD2 LEU A 5 -8.976 10.830 -6.772 1.00 0.00 C ATOM 0 H LEU A 5 -7.607 6.842 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.225 8.808 -5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.392 7.452 -6.027 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.245 8.652 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.644 9.344 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.887 9.351 -8.764 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.463 7.731 -8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.661 8.719 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.111 11.334 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.901 10.886 -6.199 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.174 11.316 -6.216 1.00 0.00 H new ATOM 91 N GLN A 6 -7.820 10.324 -3.081 1.00 0.00 N ATOM 92 CA GLN A 6 -7.715 11.537 -2.218 1.00 0.00 C ATOM 93 C GLN A 6 -6.324 11.774 -1.525 1.00 0.00 C ATOM 94 O GLN A 6 -5.876 12.921 -1.480 1.00 0.00 O ATOM 95 CB GLN A 6 -8.924 11.525 -1.245 1.00 0.00 C ATOM 96 CG GLN A 6 -9.164 12.860 -0.492 1.00 0.00 C ATOM 97 CD GLN A 6 -10.469 12.934 0.314 1.00 0.00 C ATOM 98 OE1 GLN A 6 -11.129 11.950 0.633 1.00 0.00 O ATOM 99 NE2 GLN A 6 -10.885 14.121 0.684 1.00 0.00 N ATOM 0 H GLN A 6 -8.509 9.645 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.762 12.416 -2.861 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.823 11.274 -1.808 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.775 10.732 -0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.328 13.031 0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.158 13.673 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.350 14.951 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.743 14.214 1.227 1.00 0.00 H new ATOM 108 N GLU A 7 -5.619 10.724 -1.059 1.00 0.00 N ATOM 109 CA GLU A 7 -4.178 10.822 -0.663 1.00 0.00 C ATOM 110 C GLU A 7 -3.180 11.125 -1.839 1.00 0.00 C ATOM 111 O GLU A 7 -2.256 11.921 -1.654 1.00 0.00 O ATOM 112 CB GLU A 7 -3.779 9.552 0.146 1.00 0.00 C ATOM 113 CG GLU A 7 -4.132 9.552 1.658 1.00 0.00 C ATOM 114 CD GLU A 7 -5.617 9.581 2.024 1.00 0.00 C ATOM 115 OE1 GLU A 7 -6.158 8.335 2.106 1.00 0.00 O ATOM 116 OE2 GLU A 7 -6.250 10.611 2.230 1.00 0.00 O ATOM 0 H GLU A 7 -6.015 9.791 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.087 11.705 -0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.259 8.689 -0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.703 9.409 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.689 8.664 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.653 10.416 2.118 1.00 0.00 H new ATOM 123 N TRP A 8 -3.380 10.556 -3.049 1.00 0.00 N ATOM 124 CA TRP A 8 -2.713 11.014 -4.301 1.00 0.00 C ATOM 125 C TRP A 8 -2.940 12.533 -4.613 1.00 0.00 C ATOM 126 O TRP A 8 -1.956 13.262 -4.738 1.00 0.00 O ATOM 127 CB TRP A 8 -3.096 10.052 -5.464 1.00 0.00 C ATOM 128 CG TRP A 8 -2.304 10.269 -6.766 1.00 0.00 C ATOM 129 CD1 TRP A 8 -1.104 9.619 -7.128 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.575 11.144 -7.809 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.604 10.087 -8.359 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.530 11.031 -8.758 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.640 12.056 -8.025 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.529 11.843 -9.917 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.609 12.858 -9.165 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.569 12.757 -10.096 1.00 0.00 C ATOM 0 H TRP A 8 -4.008 9.765 -3.191 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.633 10.957 -4.164 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.947 9.025 -5.131 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.159 10.167 -5.678 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.627 8.855 -6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.245 9.796 -8.843 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.457 12.127 -7.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.739 11.757 -10.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.403 13.571 -9.333 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.571 13.396 -10.967 1.00 0.00 H new ATOM 147 N ASN A 9 -4.201 13.010 -4.683 1.00 0.00 N ATOM 148 CA ASN A 9 -4.527 14.462 -4.802 1.00 0.00 C ATOM 149 C ASN A 9 -3.970 15.378 -3.654 1.00 0.00 C ATOM 150 O ASN A 9 -3.419 16.437 -3.961 1.00 0.00 O ATOM 151 CB ASN A 9 -6.063 14.559 -5.010 1.00 0.00 C ATOM 152 CG ASN A 9 -6.592 15.934 -5.446 1.00 0.00 C ATOM 153 OD1 ASN A 9 -6.183 16.509 -6.451 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.539 16.488 -4.729 1.00 0.00 N ATOM 0 H ASN A 9 -5.024 12.408 -4.659 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.999 14.877 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.357 13.823 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.555 14.280 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.929 17.388 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.886 16.019 -3.892 1.00 0.00 H new ATOM 161 N ALA A 10 -4.041 14.966 -2.370 1.00 0.00 N ATOM 162 CA ALA A 10 -3.322 15.641 -1.254 1.00 0.00 C ATOM 163 C ALA A 10 -1.765 15.765 -1.369 1.00 0.00 C ATOM 164 O ALA A 10 -1.235 16.833 -1.054 1.00 0.00 O ATOM 165 CB ALA A 10 -3.755 14.944 0.050 1.00 0.00 C ATOM 0 H ALA A 10 -4.593 14.162 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.615 16.691 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.250 15.409 0.896 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.834 15.041 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.488 13.888 0.004 1.00 0.00 H new ATOM 171 N ARG A 11 -1.034 14.733 -1.848 1.00 0.00 N ATOM 172 CA ARG A 11 0.400 14.892 -2.245 1.00 0.00 C ATOM 173 C ARG A 11 0.708 15.693 -3.565 1.00 0.00 C ATOM 174 O ARG A 11 1.864 16.081 -3.756 1.00 0.00 O ATOM 175 CB ARG A 11 1.136 13.518 -2.211 1.00 0.00 C ATOM 176 CG ARG A 11 0.838 12.524 -3.367 1.00 0.00 C ATOM 177 CD ARG A 11 1.987 11.542 -3.665 1.00 0.00 C ATOM 178 NE ARG A 11 1.752 10.861 -4.974 1.00 0.00 N ATOM 179 CZ ARG A 11 2.706 10.377 -5.774 1.00 0.00 C ATOM 180 NH1 ARG A 11 3.953 10.224 -5.403 1.00 0.00 N ATOM 181 NH2 ARG A 11 2.385 10.039 -6.990 1.00 0.00 N ATOM 0 H ARG A 11 -1.400 13.789 -1.971 1.00 0.00 H new ATOM 0 HA ARG A 11 0.803 15.556 -1.480 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.209 13.710 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.889 13.026 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.058 11.954 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.616 13.091 -4.271 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.936 12.077 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.059 10.801 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 11 0.785 10.757 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.239 10.480 -4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.638 9.849 -6.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.423 10.146 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 11 3.095 9.667 -7.620 1.00 0.00 H new ATOM 195 N GLN A 12 -0.260 15.920 -4.482 1.00 0.00 N ATOM 196 CA GLN A 12 -0.031 16.722 -5.717 1.00 0.00 C ATOM 197 C GLN A 12 0.263 18.235 -5.452 1.00 0.00 C ATOM 198 O GLN A 12 -0.176 18.830 -4.464 1.00 0.00 O ATOM 199 CB GLN A 12 -1.226 16.561 -6.709 1.00 0.00 C ATOM 200 CG GLN A 12 -1.371 15.214 -7.463 1.00 0.00 C ATOM 201 CD GLN A 12 -0.147 14.740 -8.255 1.00 0.00 C ATOM 202 OE1 GLN A 12 0.116 15.165 -9.374 1.00 0.00 O ATOM 203 NE2 GLN A 12 0.646 13.858 -7.695 1.00 0.00 N ATOM 0 H GLN A 12 -1.211 15.561 -4.394 1.00 0.00 H new ATOM 0 HA GLN A 12 0.876 16.317 -6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.147 16.733 -6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.151 17.354 -7.453 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.628 14.442 -6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.212 15.297 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.434 13.500 -6.764 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.475 13.530 -8.191 1.00 0.00 H new ATOM 212 N ARG A 13 0.997 18.856 -6.396 1.00 0.00 N ATOM 213 CA ARG A 13 1.447 20.277 -6.297 1.00 0.00 C ATOM 214 C ARG A 13 0.360 21.375 -6.007 1.00 0.00 C ATOM 215 O ARG A 13 0.653 22.354 -5.315 1.00 0.00 O ATOM 216 CB ARG A 13 2.235 20.587 -7.603 1.00 0.00 C ATOM 217 CG ARG A 13 3.330 21.670 -7.453 1.00 0.00 C ATOM 218 CD ARG A 13 3.776 22.268 -8.808 1.00 0.00 C ATOM 219 NE ARG A 13 5.208 22.686 -8.839 1.00 0.00 N ATOM 220 CZ ARG A 13 5.732 23.759 -8.244 1.00 0.00 C ATOM 221 NH1 ARG A 13 5.043 24.581 -7.494 1.00 0.00 N ATOM 222 NH2 ARG A 13 7.001 23.994 -8.413 1.00 0.00 N ATOM 0 H ARG A 13 1.300 18.394 -7.254 1.00 0.00 H new ATOM 0 HA ARG A 13 2.056 20.344 -5.395 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.699 19.667 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.530 20.906 -8.370 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.957 22.470 -6.814 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.195 21.237 -6.950 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.605 21.532 -9.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.150 23.130 -9.038 1.00 0.00 H new ATOM 0 HE ARG A 13 5.849 22.093 -9.367 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.048 24.417 -7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.501 25.385 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.564 23.366 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.432 24.806 -7.972 1.00 0.00 H new ATOM 236 N ARG A 14 -0.872 21.214 -6.526 1.00 0.00 N ATOM 237 CA ARG A 14 -2.051 21.980 -6.051 1.00 0.00 C ATOM 238 C ARG A 14 -3.257 20.989 -5.864 1.00 0.00 C ATOM 239 O ARG A 14 -3.765 20.516 -6.891 1.00 0.00 O ATOM 240 CB ARG A 14 -2.350 23.127 -7.059 1.00 0.00 C ATOM 241 CG ARG A 14 -3.355 24.194 -6.556 1.00 0.00 C ATOM 242 CD ARG A 14 -2.719 25.225 -5.598 1.00 0.00 C ATOM 243 NE ARG A 14 -3.735 26.161 -5.038 1.00 0.00 N ATOM 244 CZ ARG A 14 -4.151 27.296 -5.605 1.00 0.00 C ATOM 245 NH1 ARG A 14 -3.758 27.704 -6.786 1.00 0.00 N ATOM 246 NH2 ARG A 14 -4.998 28.036 -4.951 1.00 0.00 N ATOM 0 H ARG A 14 -1.082 20.558 -7.278 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.863 22.446 -5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.413 23.623 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.737 22.690 -7.979 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.779 24.717 -7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -4.180 23.695 -6.047 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.218 24.703 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.956 25.793 -6.130 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.150 25.912 -4.140 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.098 27.144 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.112 28.582 -7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.326 27.744 -4.031 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.334 28.909 -5.359 1.00 0.00 H new ATOM 260 N PRO A 15 -3.772 20.660 -4.637 1.00 0.00 N ATOM 261 CA PRO A 15 -4.931 19.735 -4.468 1.00 0.00 C ATOM 262 C PRO A 15 -6.288 20.363 -4.927 1.00 0.00 C ATOM 263 O PRO A 15 -6.838 21.255 -4.273 1.00 0.00 O ATOM 264 CB PRO A 15 -4.867 19.403 -2.962 1.00 0.00 C ATOM 265 CG PRO A 15 -4.191 20.608 -2.308 1.00 0.00 C ATOM 266 CD PRO A 15 -3.171 21.070 -3.349 1.00 0.00 C ATOM 0 HA PRO A 15 -4.876 18.846 -5.096 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.864 19.242 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.299 18.490 -2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.911 21.394 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.708 20.334 -1.370 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.015 22.148 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.200 20.601 -3.193 1.00 0.00 H new ATOM 274 N ARG A 16 -6.794 19.912 -6.086 1.00 0.00 N ATOM 275 CA ARG A 16 -8.021 20.476 -6.720 1.00 0.00 C ATOM 276 C ARG A 16 -9.263 19.523 -6.629 1.00 0.00 C ATOM 277 O ARG A 16 -9.265 18.539 -5.882 1.00 0.00 O ATOM 278 CB ARG A 16 -7.625 20.973 -8.146 1.00 0.00 C ATOM 279 CG ARG A 16 -7.299 19.914 -9.244 1.00 0.00 C ATOM 280 CD ARG A 16 -5.799 19.643 -9.518 1.00 0.00 C ATOM 281 NE ARG A 16 -5.015 20.849 -9.928 1.00 0.00 N ATOM 282 CZ ARG A 16 -5.085 21.464 -11.112 1.00 0.00 C ATOM 283 NH1 ARG A 16 -5.840 21.051 -12.096 1.00 0.00 N ATOM 284 NH2 ARG A 16 -4.370 22.534 -11.300 1.00 0.00 N ATOM 0 H ARG A 16 -6.374 19.149 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.388 21.339 -6.164 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.440 21.595 -8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.754 21.619 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.770 18.973 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.764 20.235 -10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.349 19.221 -8.619 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.716 18.888 -10.300 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.368 21.237 -9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.417 20.218 -11.981 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.852 21.562 -12.979 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.773 22.886 -10.552 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.407 23.021 -12.195 1.00 0.00 H new ATOM 298 N SER A 17 -10.346 19.818 -7.381 1.00 0.00 N ATOM 299 CA SER A 17 -11.572 18.975 -7.389 1.00 0.00 C ATOM 300 C SER A 17 -11.347 17.553 -7.995 1.00 0.00 C ATOM 301 O SER A 17 -10.821 17.417 -9.104 1.00 0.00 O ATOM 302 CB SER A 17 -12.711 19.741 -8.109 1.00 0.00 C ATOM 303 OG SER A 17 -12.522 19.854 -9.525 1.00 0.00 O ATOM 0 H SER A 17 -10.400 20.633 -7.992 1.00 0.00 H new ATOM 0 HA SER A 17 -11.857 18.791 -6.353 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.656 19.234 -7.917 1.00 0.00 H new ATOM 0 HB3 SER A 17 -12.792 20.740 -7.681 1.00 0.00 H new ATOM 0 HG SER A 17 -13.391 19.968 -9.963 1.00 0.00 H new ATOM 309 N LEU A 18 -11.778 16.508 -7.270 1.00 0.00 N ATOM 310 CA LEU A 18 -11.568 15.072 -7.656 1.00 0.00 C ATOM 311 C LEU A 18 -12.115 14.630 -9.069 1.00 0.00 C ATOM 312 O LEU A 18 -11.489 13.814 -9.751 1.00 0.00 O ATOM 313 CB LEU A 18 -12.134 14.188 -6.500 1.00 0.00 C ATOM 314 CG LEU A 18 -11.545 14.382 -5.067 1.00 0.00 C ATOM 315 CD1 LEU A 18 -12.478 13.780 -4.002 1.00 0.00 C ATOM 316 CD2 LEU A 18 -10.139 13.783 -4.897 1.00 0.00 C ATOM 0 H LEU A 18 -12.286 16.619 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.495 14.933 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.209 14.361 -6.444 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.993 13.144 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.462 15.460 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.045 13.928 -3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.450 14.271 -4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.601 12.713 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.791 13.954 -3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.174 12.711 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.454 14.258 -5.599 1.00 0.00 H new ATOM 328 N GLU A 19 -13.226 15.233 -9.537 1.00 0.00 N ATOM 329 CA GLU A 19 -13.626 15.283 -10.979 1.00 0.00 C ATOM 330 C GLU A 19 -12.528 15.627 -12.056 1.00 0.00 C ATOM 331 O GLU A 19 -12.497 15.001 -13.117 1.00 0.00 O ATOM 332 CB GLU A 19 -14.858 16.236 -11.077 1.00 0.00 C ATOM 333 CG GLU A 19 -14.570 17.743 -10.818 1.00 0.00 C ATOM 334 CD GLU A 19 -15.756 18.687 -10.671 1.00 0.00 C ATOM 335 OE1 GLU A 19 -16.917 18.394 -10.945 1.00 0.00 O ATOM 336 OE2 GLU A 19 -15.356 19.909 -10.203 1.00 0.00 O ATOM 0 H GLU A 19 -13.888 15.709 -8.924 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.852 14.254 -11.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.294 16.134 -12.071 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.610 15.901 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.971 17.816 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.952 18.110 -11.638 1.00 0.00 H new ATOM 343 N THR A 20 -11.631 16.597 -11.788 1.00 0.00 N ATOM 344 CA THR A 20 -10.464 16.927 -12.667 1.00 0.00 C ATOM 345 C THR A 20 -9.403 15.776 -12.764 1.00 0.00 C ATOM 346 O THR A 20 -8.975 15.430 -13.868 1.00 0.00 O ATOM 347 CB THR A 20 -9.831 18.281 -12.201 1.00 0.00 C ATOM 348 OG1 THR A 20 -10.815 19.291 -11.986 1.00 0.00 O ATOM 349 CG2 THR A 20 -8.835 18.884 -13.204 1.00 0.00 C ATOM 0 H THR A 20 -11.686 17.183 -10.955 1.00 0.00 H new ATOM 0 HA THR A 20 -10.837 17.038 -13.685 1.00 0.00 H new ATOM 0 HB THR A 20 -9.317 18.009 -11.279 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.174 19.210 -11.078 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.441 19.820 -12.808 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.015 18.185 -13.367 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.342 19.075 -14.150 1.00 0.00 H new ATOM 357 N VAL A 21 -9.042 15.149 -11.628 1.00 0.00 N ATOM 358 CA VAL A 21 -8.281 13.858 -11.590 1.00 0.00 C ATOM 359 C VAL A 21 -8.988 12.687 -12.372 1.00 0.00 C ATOM 360 O VAL A 21 -8.330 12.023 -13.176 1.00 0.00 O ATOM 361 CB VAL A 21 -7.911 13.513 -10.099 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.122 12.192 -9.940 1.00 0.00 C ATOM 363 CG2 VAL A 21 -7.087 14.618 -9.386 1.00 0.00 C ATOM 0 H VAL A 21 -9.264 15.514 -10.702 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.349 13.989 -12.140 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.891 13.419 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.904 12.023 -8.885 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.717 11.364 -10.325 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.188 12.257 -10.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.871 14.308 -8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.152 14.778 -9.922 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.659 15.546 -9.371 1.00 0.00 H new ATOM 373 N ARG A 22 -10.312 12.472 -12.206 1.00 0.00 N ATOM 374 CA ARG A 22 -11.114 11.586 -13.104 1.00 0.00 C ATOM 375 C ARG A 22 -11.070 11.931 -14.637 1.00 0.00 C ATOM 376 O ARG A 22 -10.893 11.011 -15.440 1.00 0.00 O ATOM 377 CB ARG A 22 -12.558 11.508 -12.528 1.00 0.00 C ATOM 378 CG ARG A 22 -13.593 10.645 -13.303 1.00 0.00 C ATOM 379 CD ARG A 22 -13.314 9.129 -13.374 1.00 0.00 C ATOM 380 NE ARG A 22 -13.692 8.475 -12.091 1.00 0.00 N ATOM 381 CZ ARG A 22 -13.709 7.162 -11.869 1.00 0.00 C ATOM 382 NH1 ARG A 22 -13.219 6.277 -12.704 1.00 0.00 N ATOM 383 NH2 ARG A 22 -14.240 6.736 -10.761 1.00 0.00 N ATOM 0 H ARG A 22 -10.857 12.899 -11.457 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.645 10.602 -13.098 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.494 11.123 -11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.949 12.523 -12.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.570 10.790 -12.843 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.660 11.027 -14.322 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.877 8.686 -14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.258 8.956 -13.581 1.00 0.00 H new ATOM 0 HE ARG A 22 -13.960 9.083 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.795 6.582 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.262 5.283 -12.477 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.628 7.402 -10.092 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.269 5.736 -10.561 1.00 0.00 H new ATOM 397 N ARG A 23 -11.211 13.207 -15.055 1.00 0.00 N ATOM 398 CA ARG A 23 -10.967 13.618 -16.475 1.00 0.00 C ATOM 399 C ARG A 23 -9.499 13.414 -16.989 1.00 0.00 C ATOM 400 O ARG A 23 -9.326 12.965 -18.124 1.00 0.00 O ATOM 401 CB ARG A 23 -11.472 15.057 -16.769 1.00 0.00 C ATOM 402 CG ARG A 23 -12.992 15.311 -16.565 1.00 0.00 C ATOM 403 CD ARG A 23 -13.576 16.434 -17.452 1.00 0.00 C ATOM 404 NE ARG A 23 -13.966 15.902 -18.793 1.00 0.00 N ATOM 405 CZ ARG A 23 -14.003 16.596 -19.932 1.00 0.00 C ATOM 406 NH1 ARG A 23 -13.617 17.843 -20.041 1.00 0.00 N ATOM 407 NH2 ARG A 23 -14.448 16.000 -21.001 1.00 0.00 N ATOM 0 H ARG A 23 -11.490 13.973 -14.443 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.568 12.917 -17.054 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -10.921 15.749 -16.132 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.220 15.304 -17.800 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.533 14.387 -16.767 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.169 15.562 -15.519 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.445 16.874 -16.964 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.840 17.229 -17.571 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.228 14.917 -18.842 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.262 18.340 -19.224 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.671 18.317 -20.943 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.756 15.029 -20.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.488 16.504 -21.887 1.00 0.00 H new ATOM 421 N TRP A 24 -8.459 13.667 -16.169 1.00 0.00 N ATOM 422 CA TRP A 24 -7.066 13.193 -16.438 1.00 0.00 C ATOM 423 C TRP A 24 -6.900 11.640 -16.620 1.00 0.00 C ATOM 424 O TRP A 24 -6.207 11.222 -17.551 1.00 0.00 O ATOM 425 CB TRP A 24 -6.115 13.761 -15.343 1.00 0.00 C ATOM 426 CG TRP A 24 -5.883 15.286 -15.263 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.406 16.304 -16.099 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.118 15.956 -14.320 1.00 0.00 C ATOM 429 NE1 TRP A 24 -5.973 17.585 -15.709 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.177 17.344 -14.603 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.361 15.485 -13.217 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.472 18.265 -13.792 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -3.695 16.413 -12.415 1.00 0.00 C ATOM 434 CH2 TRP A 24 -3.746 17.783 -12.701 1.00 0.00 C ATOM 0 H TRP A 24 -8.549 14.201 -15.305 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.791 13.584 -17.418 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.498 13.436 -14.376 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.142 13.288 -15.476 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.061 16.118 -16.938 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.194 18.482 -16.141 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.301 14.428 -13.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.495 19.322 -14.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.131 16.069 -11.560 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.215 18.478 -12.067 1.00 0.00 H new ATOM 445 N VAL A 25 -7.558 10.788 -15.805 1.00 0.00 N ATOM 446 CA VAL A 25 -7.659 9.312 -16.062 1.00 0.00 C ATOM 447 C VAL A 25 -8.454 8.960 -17.376 1.00 0.00 C ATOM 448 O VAL A 25 -7.945 8.173 -18.178 1.00 0.00 O ATOM 449 CB VAL A 25 -8.158 8.548 -14.781 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.294 7.017 -14.978 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.250 8.726 -13.538 1.00 0.00 C ATOM 0 H VAL A 25 -8.034 11.088 -14.954 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.652 8.947 -16.264 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.131 9.010 -14.615 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.642 6.560 -14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.011 6.815 -15.774 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.325 6.597 -15.247 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.666 8.167 -12.700 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.250 8.354 -13.761 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.194 9.783 -13.277 1.00 0.00 H new ATOM 461 N ARG A 26 -9.646 9.545 -17.637 1.00 0.00 N ATOM 462 CA ARG A 26 -10.332 9.435 -18.967 1.00 0.00 C ATOM 463 C ARG A 26 -9.486 9.859 -20.223 1.00 0.00 C ATOM 464 O ARG A 26 -9.511 9.153 -21.233 1.00 0.00 O ATOM 465 CB ARG A 26 -11.681 10.209 -18.987 1.00 0.00 C ATOM 466 CG ARG A 26 -12.847 9.678 -18.112 1.00 0.00 C ATOM 467 CD ARG A 26 -14.216 10.032 -18.738 1.00 0.00 C ATOM 468 NE ARG A 26 -15.380 9.764 -17.846 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.079 8.627 -17.802 1.00 0.00 C ATOM 470 NH1 ARG A 26 -15.688 7.512 -18.367 1.00 0.00 N ATOM 471 NH2 ARG A 26 -17.211 8.625 -17.157 1.00 0.00 N ATOM 0 H ARG A 26 -10.160 10.099 -16.952 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.495 8.362 -19.063 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.479 11.236 -18.684 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.029 10.244 -20.019 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.762 8.597 -18.003 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.779 10.105 -17.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.217 11.087 -19.011 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.340 9.464 -19.660 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.667 10.513 -17.216 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -14.805 7.481 -18.876 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -16.267 6.675 -18.298 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.541 9.477 -16.703 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.767 7.772 -17.106 1.00 0.00 H new ATOM 485 N GLU A 27 -8.745 10.980 -20.168 1.00 0.00 N ATOM 486 CA GLU A 27 -7.765 11.371 -21.230 1.00 0.00 C ATOM 487 C GLU A 27 -6.389 10.600 -21.253 1.00 0.00 C ATOM 488 O GLU A 27 -5.474 11.034 -21.958 1.00 0.00 O ATOM 489 CB GLU A 27 -7.555 12.909 -21.068 1.00 0.00 C ATOM 490 CG GLU A 27 -8.732 13.828 -21.498 1.00 0.00 C ATOM 491 CD GLU A 27 -8.658 14.327 -22.941 1.00 0.00 C ATOM 492 OE1 GLU A 27 -8.073 15.359 -23.262 1.00 0.00 O ATOM 493 OE2 GLU A 27 -9.312 13.505 -23.814 1.00 0.00 O ATOM 0 H GLU A 27 -8.798 11.645 -19.397 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.190 11.087 -22.193 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.331 13.112 -20.021 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.674 13.194 -21.644 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.667 13.285 -21.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.765 14.690 -20.831 1.00 0.00 H new ATOM 500 N SER A 28 -6.221 9.481 -20.513 1.00 0.00 N ATOM 501 CA SER A 28 -4.933 8.726 -20.383 1.00 0.00 C ATOM 502 C SER A 28 -3.662 9.556 -19.974 1.00 0.00 C ATOM 503 O SER A 28 -2.563 9.357 -20.501 1.00 0.00 O ATOM 504 CB SER A 28 -4.733 7.795 -21.608 1.00 0.00 C ATOM 505 OG SER A 28 -5.757 6.800 -21.675 1.00 0.00 O ATOM 0 H SER A 28 -6.982 9.063 -19.977 1.00 0.00 H new ATOM 0 HA SER A 28 -5.045 8.104 -19.495 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.738 8.388 -22.523 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.757 7.313 -21.546 1.00 0.00 H new ATOM 0 HG SER A 28 -5.607 6.229 -22.457 1.00 0.00 H new ATOM 511 N ARG A 29 -3.813 10.466 -18.995 1.00 0.00 N ATOM 512 CA ARG A 29 -2.702 11.325 -18.502 1.00 0.00 C ATOM 513 C ARG A 29 -1.906 10.699 -17.319 1.00 0.00 C ATOM 514 O ARG A 29 -0.675 10.735 -17.350 1.00 0.00 O ATOM 515 CB ARG A 29 -3.227 12.744 -18.164 1.00 0.00 C ATOM 516 CG ARG A 29 -3.588 13.622 -19.393 1.00 0.00 C ATOM 517 CD ARG A 29 -2.510 14.664 -19.792 1.00 0.00 C ATOM 518 NE ARG A 29 -3.033 16.062 -19.747 1.00 0.00 N ATOM 519 CZ ARG A 29 -3.694 16.679 -20.729 1.00 0.00 C ATOM 520 NH1 ARG A 29 -3.958 16.124 -21.887 1.00 0.00 N ATOM 521 NH2 ARG A 29 -4.105 17.897 -20.526 1.00 0.00 N ATOM 0 H ARG A 29 -4.700 10.632 -18.520 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.980 11.405 -19.315 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.111 12.647 -17.534 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.471 13.264 -17.575 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.774 12.969 -20.246 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.520 14.147 -19.185 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.656 14.576 -19.121 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.150 14.445 -20.797 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.871 16.592 -18.891 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.654 15.169 -22.076 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.468 16.647 -22.599 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.919 18.356 -19.634 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.613 18.393 -21.259 1.00 0.00 H new ATOM 535 N ILE A 30 -2.561 10.183 -16.258 1.00 0.00 N ATOM 536 CA ILE A 30 -1.851 9.695 -15.036 1.00 0.00 C ATOM 537 C ILE A 30 -1.269 8.265 -15.295 1.00 0.00 C ATOM 538 O ILE A 30 -1.995 7.267 -15.271 1.00 0.00 O ATOM 539 CB ILE A 30 -2.725 9.847 -13.744 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.200 11.311 -13.476 1.00 0.00 C ATOM 541 CG2 ILE A 30 -1.946 9.351 -12.495 1.00 0.00 C ATOM 542 CD1 ILE A 30 -4.516 11.398 -12.688 1.00 0.00 C ATOM 0 H ILE A 30 -3.576 10.090 -16.214 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.991 10.333 -14.830 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.610 9.236 -13.921 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.422 11.841 -12.927 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.323 11.824 -14.430 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.570 9.465 -11.608 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.685 8.300 -12.623 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.036 9.939 -12.376 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.783 12.444 -12.540 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.308 10.897 -13.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.392 10.914 -11.719 1.00 0.00 H new ATOM 554 N PHE A 31 0.048 8.210 -15.565 1.00 0.00 N ATOM 555 CA PHE A 31 0.745 6.976 -16.003 1.00 0.00 C ATOM 556 C PHE A 31 1.835 6.528 -14.953 1.00 0.00 C ATOM 557 O PHE A 31 2.641 7.379 -14.548 1.00 0.00 O ATOM 558 CB PHE A 31 1.333 7.253 -17.418 1.00 0.00 C ATOM 559 CG PHE A 31 1.954 6.016 -18.092 1.00 0.00 C ATOM 560 CD1 PHE A 31 1.146 5.087 -18.756 1.00 0.00 C ATOM 561 CD2 PHE A 31 3.323 5.759 -17.952 1.00 0.00 C ATOM 562 CE1 PHE A 31 1.696 3.907 -19.253 1.00 0.00 C ATOM 563 CE2 PHE A 31 3.870 4.579 -18.449 1.00 0.00 C ATOM 564 CZ PHE A 31 3.056 3.653 -19.096 1.00 0.00 C ATOM 0 H PHE A 31 0.664 9.019 -15.487 1.00 0.00 H new ATOM 0 HA PHE A 31 0.053 6.136 -16.063 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.542 7.644 -18.058 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.093 8.030 -17.338 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.092 5.285 -18.884 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.957 6.479 -17.456 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.068 3.190 -19.760 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.925 4.382 -18.333 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.480 2.736 -19.477 1.00 0.00 H new ATOM 574 N PRO A 32 1.943 5.230 -14.521 1.00 0.00 N ATOM 575 CA PRO A 32 1.037 4.119 -14.938 1.00 0.00 C ATOM 576 C PRO A 32 -0.430 4.183 -14.367 1.00 0.00 C ATOM 577 O PRO A 32 -0.632 4.785 -13.304 1.00 0.00 O ATOM 578 CB PRO A 32 1.818 2.868 -14.487 1.00 0.00 C ATOM 579 CG PRO A 32 2.698 3.337 -13.329 1.00 0.00 C ATOM 580 CD PRO A 32 3.094 4.757 -13.724 1.00 0.00 C ATOM 0 HA PRO A 32 0.829 4.149 -16.007 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.141 2.075 -14.170 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.421 2.466 -15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.156 3.321 -12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.572 2.697 -13.206 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.261 5.385 -12.849 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.016 4.769 -14.305 1.00 0.00 H new ATOM 588 N PRO A 33 -1.480 3.610 -15.032 1.00 0.00 N ATOM 589 CA PRO A 33 -2.890 3.761 -14.583 1.00 0.00 C ATOM 590 C PRO A 33 -3.249 3.066 -13.215 1.00 0.00 C ATOM 591 O PRO A 33 -2.690 2.004 -12.915 1.00 0.00 O ATOM 592 CB PRO A 33 -3.680 3.197 -15.782 1.00 0.00 C ATOM 593 CG PRO A 33 -2.730 2.200 -16.448 1.00 0.00 C ATOM 594 CD PRO A 33 -1.350 2.838 -16.285 1.00 0.00 C ATOM 0 HA PRO A 33 -3.127 4.797 -14.342 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.598 2.709 -15.455 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.968 3.989 -16.473 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.777 1.222 -15.968 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.980 2.052 -17.499 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.564 2.086 -16.215 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.101 3.480 -17.130 1.00 0.00 H new ATOM 602 N PRO A 34 -4.163 3.613 -12.361 1.00 0.00 N ATOM 603 CA PRO A 34 -4.424 3.056 -11.005 1.00 0.00 C ATOM 604 C PRO A 34 -5.295 1.759 -10.952 1.00 0.00 C ATOM 605 O PRO A 34 -6.160 1.513 -11.800 1.00 0.00 O ATOM 606 CB PRO A 34 -5.113 4.256 -10.337 1.00 0.00 C ATOM 607 CG PRO A 34 -5.872 4.952 -11.470 1.00 0.00 C ATOM 608 CD PRO A 34 -4.891 4.871 -12.632 1.00 0.00 C ATOM 0 HA PRO A 34 -3.515 2.700 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.791 3.933 -9.547 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.385 4.925 -9.879 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.811 4.448 -11.697 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.117 5.984 -11.219 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.404 4.842 -13.593 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.220 5.730 -12.655 1.00 0.00 H new ATOM 616 N VAL A 35 -5.083 0.953 -9.900 1.00 0.00 N ATOM 617 CA VAL A 35 -5.792 -0.350 -9.720 1.00 0.00 C ATOM 618 C VAL A 35 -7.144 -0.096 -8.971 1.00 0.00 C ATOM 619 O VAL A 35 -7.161 0.305 -7.803 1.00 0.00 O ATOM 620 CB VAL A 35 -4.853 -1.389 -9.004 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.537 -2.747 -8.713 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.556 -1.706 -9.789 1.00 0.00 C ATOM 0 H VAL A 35 -4.426 1.171 -9.151 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.039 -0.793 -10.685 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.610 -0.881 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.829 -3.412 -8.219 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.399 -2.589 -8.065 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.865 -3.197 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.961 -2.430 -9.232 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.813 -2.121 -10.764 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.980 -0.791 -9.925 1.00 0.00 H new ATOM 632 N LYS A 36 -8.288 -0.369 -9.626 1.00 0.00 N ATOM 633 CA LYS A 36 -9.617 -0.329 -8.955 1.00 0.00 C ATOM 634 C LYS A 36 -9.833 -1.593 -8.057 1.00 0.00 C ATOM 635 O LYS A 36 -10.014 -2.702 -8.568 1.00 0.00 O ATOM 636 CB LYS A 36 -10.725 -0.197 -10.036 1.00 0.00 C ATOM 637 CG LYS A 36 -12.117 0.159 -9.460 1.00 0.00 C ATOM 638 CD LYS A 36 -13.250 0.005 -10.490 1.00 0.00 C ATOM 639 CE LYS A 36 -14.631 0.235 -9.857 1.00 0.00 C ATOM 640 NZ LYS A 36 -15.690 -0.016 -10.854 1.00 0.00 N ATOM 0 H LYS A 36 -8.327 -0.619 -10.614 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.665 0.536 -8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.431 0.570 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.798 -1.136 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.324 -0.481 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.102 1.186 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.100 0.714 -11.304 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.212 -0.993 -10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.762 -0.426 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.704 1.257 -9.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.621 0.142 -10.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.570 0.632 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.626 -0.999 -11.188 1.00 0.00 H new ATOM 653 N ASP A 37 -9.842 -1.415 -6.724 1.00 0.00 N ATOM 654 CA ASP A 37 -10.127 -2.529 -5.772 1.00 0.00 C ATOM 655 C ASP A 37 -11.669 -2.764 -5.586 1.00 0.00 C ATOM 656 O ASP A 37 -12.196 -3.805 -5.983 1.00 0.00 O ATOM 657 CB ASP A 37 -9.333 -2.251 -4.461 1.00 0.00 C ATOM 658 CG ASP A 37 -8.962 -3.519 -3.700 1.00 0.00 C ATOM 659 OD1 ASP A 37 -9.945 -3.924 -2.851 1.00 0.00 O ATOM 660 OD2 ASP A 37 -7.900 -4.114 -3.846 1.00 0.00 O ATOM 0 H ASP A 37 -9.657 -0.519 -6.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.781 -3.483 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.423 -1.703 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.929 -1.608 -3.813 1.00 0.00 H new ATOM 665 N GLY A 38 -12.380 -1.781 -5.013 1.00 0.00 N ATOM 666 CA GLY A 38 -13.869 -1.772 -4.941 1.00 0.00 C ATOM 667 C GLY A 38 -14.463 -0.693 -4.003 1.00 0.00 C ATOM 668 O GLY A 38 -15.358 -0.988 -3.212 1.00 0.00 O ATOM 0 H GLY A 38 -11.948 -0.963 -4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.267 -1.621 -5.944 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.209 -2.752 -4.607 1.00 0.00 H new ATOM 672 N ARG A 39 -13.947 0.547 -4.080 1.00 0.00 N ATOM 673 CA ARG A 39 -14.265 1.658 -3.135 1.00 0.00 C ATOM 674 C ARG A 39 -13.497 2.944 -3.572 1.00 0.00 C ATOM 675 O ARG A 39 -14.124 3.939 -3.943 1.00 0.00 O ATOM 676 CB ARG A 39 -14.027 1.311 -1.619 1.00 0.00 C ATOM 677 CG ARG A 39 -15.294 1.362 -0.737 1.00 0.00 C ATOM 678 CD ARG A 39 -15.792 2.793 -0.441 1.00 0.00 C ATOM 679 NE ARG A 39 -17.097 2.764 0.280 1.00 0.00 N ATOM 680 CZ ARG A 39 -17.260 2.656 1.600 1.00 0.00 C ATOM 681 NH1 ARG A 39 -16.267 2.569 2.450 1.00 0.00 N ATOM 682 NH2 ARG A 39 -18.474 2.629 2.070 1.00 0.00 N ATOM 0 H ARG A 39 -13.286 0.820 -4.808 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.339 1.834 -3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -13.595 0.312 -1.553 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -13.291 2.005 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.091 0.805 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.089 0.857 0.207 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.052 3.323 0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.900 3.345 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 39 -17.942 2.833 -0.287 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.304 2.582 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.456 2.488 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.269 2.690 1.434 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.630 2.547 3.075 1.00 0.00 H new ATOM 696 N GLU A 40 -12.149 2.923 -3.523 1.00 0.00 N ATOM 697 CA GLU A 40 -11.287 4.023 -4.028 1.00 0.00 C ATOM 698 C GLU A 40 -10.094 3.396 -4.819 1.00 0.00 C ATOM 699 O GLU A 40 -9.607 2.297 -4.522 1.00 0.00 O ATOM 700 CB GLU A 40 -10.810 4.931 -2.857 1.00 0.00 C ATOM 701 CG GLU A 40 -11.892 5.904 -2.320 1.00 0.00 C ATOM 702 CD GLU A 40 -11.451 6.747 -1.128 1.00 0.00 C ATOM 703 OE1 GLU A 40 -11.620 6.096 0.058 1.00 0.00 O ATOM 704 OE2 GLU A 40 -10.993 7.881 -1.225 1.00 0.00 O ATOM 0 H GLU A 40 -11.622 2.142 -3.132 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.851 4.666 -4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.469 4.298 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.950 5.511 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.196 6.570 -3.127 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.772 5.327 -2.035 1.00 0.00 H new ATOM 711 N TYR A 41 -9.625 4.115 -5.848 1.00 0.00 N ATOM 712 CA TYR A 41 -8.532 3.638 -6.739 1.00 0.00 C ATOM 713 C TYR A 41 -7.132 3.644 -6.039 1.00 0.00 C ATOM 714 O TYR A 41 -6.738 4.616 -5.383 1.00 0.00 O ATOM 715 CB TYR A 41 -8.535 4.529 -8.011 1.00 0.00 C ATOM 716 CG TYR A 41 -9.550 4.158 -9.106 1.00 0.00 C ATOM 717 CD1 TYR A 41 -10.887 4.546 -8.987 1.00 0.00 C ATOM 718 CD2 TYR A 41 -9.133 3.480 -10.258 1.00 0.00 C ATOM 719 CE1 TYR A 41 -11.793 4.266 -10.004 1.00 0.00 C ATOM 720 CE2 TYR A 41 -10.033 3.242 -11.296 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.361 3.638 -11.169 1.00 0.00 C ATOM 722 OH TYR A 41 -12.254 3.430 -12.188 1.00 0.00 O ATOM 0 H TYR A 41 -9.982 5.038 -6.094 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.716 2.596 -7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.723 5.558 -7.706 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.537 4.503 -8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.219 5.066 -8.100 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -8.111 3.140 -10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.833 4.536 -9.890 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.700 2.751 -12.198 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.802 2.982 -12.933 1.00 0.00 H new ATOM 732 N LEU A 42 -6.385 2.546 -6.219 1.00 0.00 N ATOM 733 CA LEU A 42 -5.009 2.384 -5.684 1.00 0.00 C ATOM 734 C LEU A 42 -3.969 2.929 -6.711 1.00 0.00 C ATOM 735 O LEU A 42 -3.600 2.267 -7.688 1.00 0.00 O ATOM 736 CB LEU A 42 -4.800 0.881 -5.347 1.00 0.00 C ATOM 737 CG LEU A 42 -5.529 0.314 -4.097 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.247 -1.194 -3.972 1.00 0.00 C ATOM 739 CD2 LEU A 42 -5.134 1.009 -2.778 1.00 0.00 C ATOM 0 H LEU A 42 -6.713 1.734 -6.743 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.866 2.963 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.113 0.296 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.731 0.712 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.591 0.506 -4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.760 -1.588 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.607 -1.707 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.174 -1.356 -3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.683 0.559 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.064 0.889 -2.610 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.375 2.070 -2.839 1.00 0.00 H new ATOM 751 N PHE A 43 -3.504 4.162 -6.465 1.00 0.00 N ATOM 752 CA PHE A 43 -2.453 4.822 -7.280 1.00 0.00 C ATOM 753 C PHE A 43 -1.058 4.434 -6.715 1.00 0.00 C ATOM 754 O PHE A 43 -0.766 4.676 -5.541 1.00 0.00 O ATOM 755 CB PHE A 43 -2.648 6.367 -7.210 1.00 0.00 C ATOM 756 CG PHE A 43 -3.774 6.972 -8.064 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.109 6.806 -7.684 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.478 7.710 -9.216 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.129 7.345 -8.459 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.505 8.274 -9.970 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.829 8.102 -9.585 1.00 0.00 C ATOM 0 H PHE A 43 -3.842 4.738 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.523 4.500 -8.319 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.830 6.638 -6.170 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.710 6.840 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.349 6.257 -6.785 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.451 7.843 -9.521 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.160 7.175 -8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.271 8.846 -10.856 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.623 8.556 -10.160 1.00 0.00 H new ATOM 771 N HIS A 44 -0.160 3.871 -7.536 1.00 0.00 N ATOM 772 CA HIS A 44 1.237 3.592 -7.094 1.00 0.00 C ATOM 773 C HIS A 44 2.042 4.913 -6.802 1.00 0.00 C ATOM 774 O HIS A 44 1.848 5.929 -7.485 1.00 0.00 O ATOM 775 CB HIS A 44 1.882 2.686 -8.179 1.00 0.00 C ATOM 776 CG HIS A 44 3.180 2.009 -7.742 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.420 2.606 -7.818 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.296 0.746 -7.137 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.189 1.643 -7.225 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.612 0.479 -6.786 1.00 0.00 N ATOM 0 H HIS A 44 -0.360 3.599 -8.498 1.00 0.00 H new ATOM 0 HA HIS A 44 1.249 3.069 -6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.165 1.918 -8.468 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.080 3.287 -9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.470 0.072 -6.967 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.251 1.799 -7.102 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.026 -0.338 -6.336 1.00 0.00 H new ATOM 788 N GLU A 45 2.956 4.909 -5.806 1.00 0.00 N ATOM 789 CA GLU A 45 3.807 6.103 -5.486 1.00 0.00 C ATOM 790 C GLU A 45 4.948 6.332 -6.545 1.00 0.00 C ATOM 791 O GLU A 45 6.132 6.068 -6.336 1.00 0.00 O ATOM 792 CB GLU A 45 4.323 6.022 -4.025 1.00 0.00 C ATOM 793 CG GLU A 45 3.234 6.204 -2.935 1.00 0.00 C ATOM 794 CD GLU A 45 3.778 6.307 -1.510 1.00 0.00 C ATOM 795 OE1 GLU A 45 4.586 5.525 -1.023 1.00 0.00 O ATOM 796 OE2 GLU A 45 3.257 7.368 -0.833 1.00 0.00 O ATOM 0 H GLU A 45 3.131 4.103 -5.207 1.00 0.00 H new ATOM 0 HA GLU A 45 3.184 6.995 -5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.805 5.055 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.089 6.784 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.661 7.104 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.541 5.364 -2.987 1.00 0.00 H new ATOM 803 N SER A 46 4.498 6.822 -7.706 1.00 0.00 N ATOM 804 CA SER A 46 5.224 6.824 -9.012 1.00 0.00 C ATOM 805 C SER A 46 4.282 7.281 -10.184 1.00 0.00 C ATOM 806 O SER A 46 4.790 7.873 -11.140 1.00 0.00 O ATOM 807 CB SER A 46 5.881 5.479 -9.423 1.00 0.00 C ATOM 808 OG SER A 46 6.702 5.651 -10.580 1.00 0.00 O ATOM 0 H SER A 46 3.576 7.251 -7.780 1.00 0.00 H new ATOM 0 HA SER A 46 6.036 7.532 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.482 5.095 -8.598 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.108 4.738 -9.626 1.00 0.00 H new ATOM 0 HG SER A 46 7.109 4.793 -10.823 1.00 0.00 H new ATOM 814 N ALA A 47 2.956 6.991 -10.157 1.00 0.00 N ATOM 815 CA ALA A 47 1.986 7.460 -11.174 1.00 0.00 C ATOM 816 C ALA A 47 1.824 9.009 -11.218 1.00 0.00 C ATOM 817 O ALA A 47 1.495 9.643 -10.209 1.00 0.00 O ATOM 818 CB ALA A 47 0.661 6.733 -10.880 1.00 0.00 C ATOM 0 H ALA A 47 2.530 6.423 -9.425 1.00 0.00 H new ATOM 0 HA ALA A 47 2.350 7.218 -12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.093 7.043 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.813 5.656 -10.953 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.324 6.984 -9.874 1.00 0.00 H new ATOM 824 N VAL A 48 2.110 9.603 -12.385 1.00 0.00 N ATOM 825 CA VAL A 48 2.163 11.087 -12.564 1.00 0.00 C ATOM 826 C VAL A 48 1.384 11.498 -13.851 1.00 0.00 C ATOM 827 O VAL A 48 1.420 10.805 -14.876 1.00 0.00 O ATOM 828 CB VAL A 48 3.628 11.661 -12.562 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.298 11.603 -11.172 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.590 11.048 -13.608 1.00 0.00 C ATOM 0 H VAL A 48 2.313 9.082 -13.238 1.00 0.00 H new ATOM 0 HA VAL A 48 1.676 11.535 -11.698 1.00 0.00 H new ATOM 0 HB VAL A 48 3.466 12.699 -12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.306 12.013 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.713 12.187 -10.462 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.348 10.568 -10.835 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.571 11.516 -13.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.682 9.976 -13.434 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.196 11.220 -14.610 1.00 0.00 H new ATOM 840 N LYS A 49 0.699 12.659 -13.815 1.00 0.00 N ATOM 841 CA LYS A 49 0.032 13.234 -15.015 1.00 0.00 C ATOM 842 C LYS A 49 1.038 13.672 -16.127 1.00 0.00 C ATOM 843 O LYS A 49 1.903 14.522 -15.884 1.00 0.00 O ATOM 844 CB LYS A 49 -0.991 14.335 -14.604 1.00 0.00 C ATOM 845 CG LYS A 49 -0.509 15.745 -14.176 1.00 0.00 C ATOM 846 CD LYS A 49 0.243 15.809 -12.833 1.00 0.00 C ATOM 847 CE LYS A 49 0.379 17.248 -12.312 1.00 0.00 C ATOM 848 NZ LYS A 49 1.217 17.263 -11.099 1.00 0.00 N ATOM 0 H LYS A 49 0.590 13.221 -12.971 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.544 12.439 -15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.671 14.470 -15.445 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.580 13.934 -13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.142 16.140 -14.956 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.375 16.404 -14.119 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.284 15.205 -12.094 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.235 15.372 -12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.823 17.882 -13.080 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.606 17.659 -12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.169 18.202 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.872 16.546 -10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.203 17.052 -11.355 1.00 0.00 H new ATOM 861 N VAL A 50 0.922 13.109 -17.349 1.00 0.00 N ATOM 862 CA VAL A 50 1.814 13.477 -18.495 1.00 0.00 C ATOM 863 C VAL A 50 1.406 14.865 -19.100 1.00 0.00 C ATOM 864 O VAL A 50 0.756 14.980 -20.144 1.00 0.00 O ATOM 865 CB VAL A 50 2.007 12.323 -19.544 1.00 0.00 C ATOM 866 CG1 VAL A 50 2.730 11.091 -18.954 1.00 0.00 C ATOM 867 CG2 VAL A 50 0.750 11.818 -20.289 1.00 0.00 C ATOM 0 H VAL A 50 0.226 12.400 -17.577 1.00 0.00 H new ATOM 0 HA VAL A 50 2.821 13.607 -18.099 1.00 0.00 H new ATOM 0 HB VAL A 50 2.620 12.833 -20.287 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.835 10.327 -19.724 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.717 11.385 -18.598 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.149 10.691 -18.123 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.031 11.023 -20.980 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.029 11.433 -19.567 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.302 12.641 -20.846 1.00 0.00 H new