USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 630 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 1 MET CE :methyl 180:sc= -0.0551 (180deg=0) USER MOD Set 1.2: A 44 HIS : no HD1:sc= 0.615 K(o=0.56,f=-3.7!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (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= -0.0859 X(o=-0.086,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.33) 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 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 0.846 (180deg=0.649) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 37:sc= 0.38 USER MOD Single : A 59 SER OG : rot 8:sc= 1.17 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00616) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 23:sc= 0.0575 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.845 2.209 -0.603 1.00 0.00 N ATOM 2 CA MET A 1 3.727 1.901 -2.056 1.00 0.00 C ATOM 3 C MET A 1 2.479 2.574 -2.709 1.00 0.00 C ATOM 4 O MET A 1 2.630 3.392 -3.624 1.00 0.00 O ATOM 5 CB MET A 1 3.790 0.361 -2.277 1.00 0.00 C ATOM 6 CG MET A 1 5.178 -0.293 -2.111 1.00 0.00 C ATOM 7 SD MET A 1 6.182 -0.016 -3.587 1.00 0.00 S ATOM 8 CE MET A 1 5.747 -1.469 -4.568 1.00 0.00 C ATOM 0 H1 MET A 1 4.689 1.740 -0.216 1.00 0.00 H new ATOM 0 H2 MET A 1 3.930 3.237 -0.472 1.00 0.00 H new ATOM 0 H3 MET A 1 2.999 1.865 -0.105 1.00 0.00 H new ATOM 0 HA MET A 1 4.578 2.341 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.101 -0.114 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.426 0.143 -3.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.681 0.122 -1.238 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.065 -1.363 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.288 -1.444 -5.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.016 -2.372 -4.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.675 -1.469 -4.763 1.00 0.00 H new ATOM 18 N TYR A 2 1.261 2.202 -2.273 1.00 0.00 N ATOM 19 CA TYR A 2 -0.014 2.623 -2.918 1.00 0.00 C ATOM 20 C TYR A 2 -0.871 3.489 -1.944 1.00 0.00 C ATOM 21 O TYR A 2 -1.161 3.078 -0.815 1.00 0.00 O ATOM 22 CB TYR A 2 -0.829 1.384 -3.380 1.00 0.00 C ATOM 23 CG TYR A 2 -0.208 0.510 -4.485 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.433 0.791 -5.836 1.00 0.00 C ATOM 25 CD2 TYR A 2 0.585 -0.590 -4.136 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.138 -0.009 -6.825 1.00 0.00 C ATOM 27 CE2 TYR A 2 1.161 -1.382 -5.126 1.00 0.00 C ATOM 28 CZ TYR A 2 0.939 -1.092 -6.467 1.00 0.00 C ATOM 29 OH TYR A 2 1.519 -1.872 -7.431 1.00 0.00 O ATOM 0 H TYR A 2 1.124 1.599 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 2 0.237 3.226 -3.791 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -1.008 0.753 -2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.802 1.730 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -1.052 1.631 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.751 -0.825 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -0.040 0.210 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.781 -2.223 -4.851 1.00 0.00 H new ATOM 0 HH TYR A 2 2.045 -2.581 -7.005 1.00 0.00 H new ATOM 39 N LEU A 3 -1.311 4.666 -2.411 1.00 0.00 N ATOM 40 CA LEU A 3 -2.197 5.585 -1.646 1.00 0.00 C ATOM 41 C LEU A 3 -3.587 5.792 -2.344 1.00 0.00 C ATOM 42 O LEU A 3 -3.739 5.671 -3.565 1.00 0.00 O ATOM 43 CB LEU A 3 -1.428 6.898 -1.293 1.00 0.00 C ATOM 44 CG LEU A 3 -1.012 7.902 -2.411 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.762 9.291 -1.801 1.00 0.00 C ATOM 46 CD2 LEU A 3 0.276 7.512 -3.162 1.00 0.00 C ATOM 0 H LEU A 3 -1.066 5.019 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.459 5.124 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.043 7.448 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.518 6.606 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.840 7.895 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.472 9.987 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.673 9.647 -1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.037 9.225 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.495 8.262 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.106 7.457 -2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.140 6.541 -3.639 1.00 0.00 H new ATOM 58 N THR A 4 -4.622 6.113 -1.546 1.00 0.00 N ATOM 59 CA THR A 4 -6.030 6.304 -2.029 1.00 0.00 C ATOM 60 C THR A 4 -6.197 7.499 -3.039 1.00 0.00 C ATOM 61 O THR A 4 -5.414 8.449 -3.021 1.00 0.00 O ATOM 62 CB THR A 4 -6.912 6.457 -0.741 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.767 5.313 0.098 1.00 0.00 O ATOM 64 CG2 THR A 4 -8.430 6.591 -0.950 1.00 0.00 C ATOM 0 H THR A 4 -4.520 6.251 -0.541 1.00 0.00 H new ATOM 0 HA THR A 4 -6.348 5.445 -2.619 1.00 0.00 H new ATOM 0 HB THR A 4 -6.541 7.390 -0.318 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.321 5.422 0.899 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.923 6.690 0.017 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.637 7.474 -1.555 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.807 5.705 -1.461 1.00 0.00 H new ATOM 72 N LEU A 5 -7.235 7.481 -3.900 1.00 0.00 N ATOM 73 CA LEU A 5 -7.510 8.563 -4.905 1.00 0.00 C ATOM 74 C LEU A 5 -7.555 10.027 -4.341 1.00 0.00 C ATOM 75 O LEU A 5 -6.819 10.895 -4.822 1.00 0.00 O ATOM 76 CB LEU A 5 -8.777 8.114 -5.701 1.00 0.00 C ATOM 77 CG LEU A 5 -9.165 8.899 -6.988 1.00 0.00 C ATOM 78 CD1 LEU A 5 -10.137 8.066 -7.847 1.00 0.00 C ATOM 79 CD2 LEU A 5 -9.842 10.251 -6.712 1.00 0.00 C ATOM 0 H LEU A 5 -7.915 6.721 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.658 8.660 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.640 7.069 -5.979 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.627 8.154 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.223 9.088 -7.503 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.401 8.626 -8.744 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.659 7.129 -8.132 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.039 7.854 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.082 10.738 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.758 10.090 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.167 10.886 -6.138 1.00 0.00 H new ATOM 91 N GLN A 6 -8.365 10.286 -3.297 1.00 0.00 N ATOM 92 CA GLN A 6 -8.325 11.571 -2.534 1.00 0.00 C ATOM 93 C GLN A 6 -6.959 11.920 -1.839 1.00 0.00 C ATOM 94 O GLN A 6 -6.530 13.078 -1.898 1.00 0.00 O ATOM 95 CB GLN A 6 -9.525 11.570 -1.546 1.00 0.00 C ATOM 96 CG GLN A 6 -9.916 12.970 -1.003 1.00 0.00 C ATOM 97 CD GLN A 6 -10.959 12.944 0.119 1.00 0.00 C ATOM 98 OE1 GLN A 6 -10.638 12.962 1.300 1.00 0.00 O ATOM 99 NE2 GLN A 6 -12.233 12.910 -0.193 1.00 0.00 N ATOM 0 H GLN A 6 -9.062 9.626 -2.953 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.414 12.383 -3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.390 11.134 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.284 10.922 -0.703 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.018 13.468 -0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -10.301 13.571 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.518 12.895 -1.172 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.938 12.899 0.544 1.00 0.00 H new ATOM 108 N GLU A 7 -6.257 10.936 -1.237 1.00 0.00 N ATOM 109 CA GLU A 7 -4.844 11.120 -0.791 1.00 0.00 C ATOM 110 C GLU A 7 -3.807 11.393 -1.931 1.00 0.00 C ATOM 111 O GLU A 7 -2.935 12.234 -1.725 1.00 0.00 O ATOM 112 CB GLU A 7 -4.376 9.952 0.119 1.00 0.00 C ATOM 113 CG GLU A 7 -5.074 9.857 1.502 1.00 0.00 C ATOM 114 CD GLU A 7 -4.159 9.369 2.623 1.00 0.00 C ATOM 115 OE1 GLU A 7 -3.434 10.391 3.169 1.00 0.00 O ATOM 116 OE2 GLU A 7 -4.080 8.196 2.974 1.00 0.00 O ATOM 0 H GLU A 7 -6.636 10.008 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.867 12.042 -0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.535 9.014 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.302 10.049 0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.467 10.838 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.927 9.183 1.422 1.00 0.00 H new ATOM 123 N TRP A 8 -3.888 10.751 -3.116 1.00 0.00 N ATOM 124 CA TRP A 8 -3.107 11.165 -4.319 1.00 0.00 C ATOM 125 C TRP A 8 -3.379 12.634 -4.788 1.00 0.00 C ATOM 126 O TRP A 8 -2.409 13.356 -5.026 1.00 0.00 O ATOM 127 CB TRP A 8 -3.265 10.096 -5.434 1.00 0.00 C ATOM 128 CG TRP A 8 -2.397 10.339 -6.685 1.00 0.00 C ATOM 129 CD1 TRP A 8 -1.092 9.843 -6.918 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.705 11.105 -7.802 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.583 10.286 -8.157 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.597 11.064 -8.682 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.857 11.867 -8.138 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.622 11.793 -9.895 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.848 12.597 -9.327 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.747 12.565 -10.189 1.00 0.00 C ATOM 0 H TRP A 8 -4.487 9.940 -3.273 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.054 11.201 -4.040 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.016 9.119 -5.020 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.312 10.057 -5.736 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.553 9.205 -6.233 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.326 10.079 -8.571 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.719 11.881 -7.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.787 11.753 -10.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.707 13.198 -9.587 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.768 13.148 -11.098 1.00 0.00 H new ATOM 147 N ASN A 9 -4.648 13.088 -4.881 1.00 0.00 N ATOM 148 CA ASN A 9 -4.984 14.529 -5.092 1.00 0.00 C ATOM 149 C ASN A 9 -4.315 15.509 -4.064 1.00 0.00 C ATOM 150 O ASN A 9 -3.576 16.400 -4.486 1.00 0.00 O ATOM 151 CB ASN A 9 -6.534 14.639 -5.172 1.00 0.00 C ATOM 152 CG ASN A 9 -7.097 15.992 -5.643 1.00 0.00 C ATOM 153 OD1 ASN A 9 -6.509 16.738 -6.420 1.00 0.00 O ATOM 154 ND2 ASN A 9 -8.281 16.344 -5.205 1.00 0.00 N ATOM 0 H ASN A 9 -5.465 12.481 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 9 -4.548 14.869 -6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.898 13.863 -5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.944 14.422 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.697 17.224 -5.511 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.787 15.738 -4.559 1.00 0.00 H new ATOM 161 N ALA A 10 -4.493 15.297 -2.743 1.00 0.00 N ATOM 162 CA ALA A 10 -3.708 16.012 -1.695 1.00 0.00 C ATOM 163 C ALA A 10 -2.140 15.871 -1.716 1.00 0.00 C ATOM 164 O ALA A 10 -1.440 16.843 -1.427 1.00 0.00 O ATOM 165 CB ALA A 10 -4.317 15.572 -0.350 1.00 0.00 C ATOM 0 H ALA A 10 -5.174 14.636 -2.369 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.801 17.080 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.786 16.061 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.370 15.852 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.226 14.491 -0.246 1.00 0.00 H new ATOM 171 N ARG A 11 -1.592 14.696 -2.079 1.00 0.00 N ATOM 172 CA ARG A 11 -0.134 14.492 -2.338 1.00 0.00 C ATOM 173 C ARG A 11 0.464 15.207 -3.600 1.00 0.00 C ATOM 174 O ARG A 11 1.670 15.474 -3.607 1.00 0.00 O ATOM 175 CB ARG A 11 0.091 12.951 -2.331 1.00 0.00 C ATOM 176 CG ARG A 11 1.538 12.412 -2.508 1.00 0.00 C ATOM 177 CD ARG A 11 1.869 11.986 -3.955 1.00 0.00 C ATOM 178 NE ARG A 11 3.276 11.506 -4.036 1.00 0.00 N ATOM 179 CZ ARG A 11 3.821 10.860 -5.070 1.00 0.00 C ATOM 180 NH1 ARG A 11 3.164 10.516 -6.150 1.00 0.00 N ATOM 181 NH2 ARG A 11 5.082 10.545 -5.007 1.00 0.00 N ATOM 0 H ARG A 11 -2.144 13.848 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 11 0.431 14.991 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.294 12.564 -1.387 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.522 12.523 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.244 13.181 -2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.682 11.559 -1.845 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.188 11.197 -4.275 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.724 12.827 -4.633 1.00 0.00 H new ATOM 0 HE ARG A 11 3.876 11.686 -3.231 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.173 10.741 -6.237 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.644 10.023 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.629 10.792 -4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.524 10.051 -5.783 1.00 0.00 H new ATOM 195 N GLN A 12 -0.324 15.543 -4.644 1.00 0.00 N ATOM 196 CA GLN A 12 0.121 16.474 -5.719 1.00 0.00 C ATOM 197 C GLN A 12 0.401 17.912 -5.168 1.00 0.00 C ATOM 198 O GLN A 12 -0.367 18.449 -4.364 1.00 0.00 O ATOM 199 CB GLN A 12 -0.914 16.518 -6.882 1.00 0.00 C ATOM 200 CG GLN A 12 -1.178 15.213 -7.682 1.00 0.00 C ATOM 201 CD GLN A 12 0.049 14.517 -8.284 1.00 0.00 C ATOM 202 OE1 GLN A 12 0.487 14.795 -9.394 1.00 0.00 O ATOM 203 NE2 GLN A 12 0.630 13.579 -7.575 1.00 0.00 N ATOM 0 H GLN A 12 -1.271 15.187 -4.771 1.00 0.00 H new ATOM 0 HA GLN A 12 1.062 16.088 -6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.865 16.853 -6.468 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.588 17.281 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.682 14.506 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.870 15.444 -8.492 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.271 13.342 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.441 13.086 -7.948 1.00 0.00 H new ATOM 212 N ARG A 13 1.525 18.520 -5.596 1.00 0.00 N ATOM 213 CA ARG A 13 2.094 19.745 -4.947 1.00 0.00 C ATOM 214 C ARG A 13 1.159 20.995 -4.757 1.00 0.00 C ATOM 215 O ARG A 13 1.325 21.727 -3.778 1.00 0.00 O ATOM 216 CB ARG A 13 3.415 20.083 -5.700 1.00 0.00 C ATOM 217 CG ARG A 13 4.463 20.873 -4.876 1.00 0.00 C ATOM 218 CD ARG A 13 5.718 21.210 -5.711 1.00 0.00 C ATOM 219 NE ARG A 13 6.805 21.817 -4.888 1.00 0.00 N ATOM 220 CZ ARG A 13 7.765 21.143 -4.248 1.00 0.00 C ATOM 221 NH1 ARG A 13 7.800 19.836 -4.163 1.00 0.00 N ATOM 222 NH2 ARG A 13 8.719 21.818 -3.672 1.00 0.00 N ATOM 0 H ARG A 13 2.069 18.189 -6.393 1.00 0.00 H new ATOM 0 HA ARG A 13 2.260 19.489 -3.901 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.870 19.152 -6.038 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.168 20.659 -6.592 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.014 21.795 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.754 20.289 -4.003 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.090 20.302 -6.185 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.445 21.898 -6.511 1.00 0.00 H new ATOM 0 HE ARG A 13 6.816 22.834 -4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.067 19.277 -4.600 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.560 19.378 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.721 22.837 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.464 21.327 -3.177 1.00 0.00 H new ATOM 236 N ARG A 14 0.180 21.219 -5.653 1.00 0.00 N ATOM 237 CA ARG A 14 -1.078 21.946 -5.314 1.00 0.00 C ATOM 238 C ARG A 14 -2.308 21.120 -5.848 1.00 0.00 C ATOM 239 O ARG A 14 -2.355 20.881 -7.062 1.00 0.00 O ATOM 240 CB ARG A 14 -1.057 23.385 -5.905 1.00 0.00 C ATOM 241 CG ARG A 14 -0.303 24.420 -5.032 1.00 0.00 C ATOM 242 CD ARG A 14 0.507 25.447 -5.848 1.00 0.00 C ATOM 243 NE ARG A 14 1.379 26.275 -4.965 1.00 0.00 N ATOM 244 CZ ARG A 14 2.559 25.895 -4.463 1.00 0.00 C ATOM 245 NH1 ARG A 14 3.080 24.709 -4.660 1.00 0.00 N ATOM 246 NH2 ARG A 14 3.222 26.740 -3.728 1.00 0.00 N ATOM 0 H ARG A 14 0.228 20.909 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.165 22.045 -4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.595 23.354 -6.892 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -2.084 23.723 -6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.024 24.951 -4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.371 23.891 -4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.120 24.927 -6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.174 26.094 -6.400 1.00 0.00 H new ATOM 0 HE ARG A 14 1.048 27.209 -4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.581 24.020 -5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.985 24.475 -4.251 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.839 27.668 -3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.124 26.474 -3.333 1.00 0.00 H new ATOM 260 N PRO A 15 -3.327 20.693 -5.038 1.00 0.00 N ATOM 261 CA PRO A 15 -4.529 19.981 -5.565 1.00 0.00 C ATOM 262 C PRO A 15 -5.508 20.868 -6.406 1.00 0.00 C ATOM 263 O PRO A 15 -5.489 22.102 -6.333 1.00 0.00 O ATOM 264 CB PRO A 15 -5.174 19.454 -4.264 1.00 0.00 C ATOM 265 CG PRO A 15 -4.764 20.442 -3.174 1.00 0.00 C ATOM 266 CD PRO A 15 -3.348 20.860 -3.569 1.00 0.00 C ATOM 0 HA PRO A 15 -4.268 19.209 -6.289 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.259 19.401 -4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.825 18.448 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.438 21.298 -3.137 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.783 19.979 -2.187 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.140 21.890 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.597 20.236 -3.085 1.00 0.00 H new ATOM 274 N ARG A 16 -6.386 20.217 -7.190 1.00 0.00 N ATOM 275 CA ARG A 16 -7.505 20.914 -7.890 1.00 0.00 C ATOM 276 C ARG A 16 -8.889 20.395 -7.387 1.00 0.00 C ATOM 277 O ARG A 16 -9.549 21.087 -6.608 1.00 0.00 O ATOM 278 CB ARG A 16 -7.293 20.904 -9.443 1.00 0.00 C ATOM 279 CG ARG A 16 -7.065 22.296 -10.082 1.00 0.00 C ATOM 280 CD ARG A 16 -5.634 22.835 -9.904 1.00 0.00 C ATOM 281 NE ARG A 16 -5.609 24.275 -10.287 1.00 0.00 N ATOM 282 CZ ARG A 16 -4.539 24.958 -10.693 1.00 0.00 C ATOM 283 NH1 ARG A 16 -3.360 24.419 -10.884 1.00 0.00 N ATOM 284 NH2 ARG A 16 -4.673 26.234 -10.915 1.00 0.00 N ATOM 0 H ARG A 16 -6.351 19.212 -7.361 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.503 21.972 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.436 20.271 -9.673 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.164 20.445 -9.910 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.292 22.238 -11.147 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -7.767 23.006 -9.645 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.312 22.714 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.938 22.268 -10.523 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.491 24.784 -10.234 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.223 23.422 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.580 24.997 -11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.578 26.683 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.873 26.784 -11.227 1.00 0.00 H new ATOM 298 N SER A 17 -9.349 19.212 -7.836 1.00 0.00 N ATOM 299 CA SER A 17 -10.700 18.679 -7.504 1.00 0.00 C ATOM 300 C SER A 17 -10.780 17.149 -7.803 1.00 0.00 C ATOM 301 O SER A 17 -10.143 16.627 -8.725 1.00 0.00 O ATOM 302 CB SER A 17 -11.795 19.465 -8.279 1.00 0.00 C ATOM 303 OG SER A 17 -13.109 19.011 -7.942 1.00 0.00 O ATOM 0 H SER A 17 -8.803 18.595 -8.437 1.00 0.00 H new ATOM 0 HA SER A 17 -10.877 18.816 -6.437 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.708 20.528 -8.054 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.634 19.352 -9.351 1.00 0.00 H new ATOM 0 HG SER A 17 -13.773 19.527 -8.445 1.00 0.00 H new ATOM 309 N LEU A 18 -11.648 16.442 -7.061 1.00 0.00 N ATOM 310 CA LEU A 18 -12.089 15.054 -7.410 1.00 0.00 C ATOM 311 C LEU A 18 -12.735 14.876 -8.832 1.00 0.00 C ATOM 312 O LEU A 18 -12.394 13.924 -9.540 1.00 0.00 O ATOM 313 CB LEU A 18 -13.015 14.569 -6.254 1.00 0.00 C ATOM 314 CG LEU A 18 -12.264 14.120 -4.965 1.00 0.00 C ATOM 315 CD1 LEU A 18 -13.031 14.477 -3.685 1.00 0.00 C ATOM 316 CD2 LEU A 18 -11.988 12.610 -4.987 1.00 0.00 C ATOM 0 H LEU A 18 -12.070 16.801 -6.205 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.202 14.427 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.703 15.374 -5.996 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.619 13.737 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.320 14.665 -4.956 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.464 14.142 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.170 15.557 -3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.004 13.986 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.463 12.323 -4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.932 12.068 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.373 12.365 -5.853 1.00 0.00 H new ATOM 328 N GLU A 19 -13.593 15.814 -9.280 1.00 0.00 N ATOM 329 CA GLU A 19 -13.998 15.934 -10.716 1.00 0.00 C ATOM 330 C GLU A 19 -12.837 16.220 -11.735 1.00 0.00 C ATOM 331 O GLU A 19 -12.821 15.620 -12.812 1.00 0.00 O ATOM 332 CB GLU A 19 -15.120 17.008 -10.832 1.00 0.00 C ATOM 333 CG GLU A 19 -16.504 16.634 -10.239 1.00 0.00 C ATOM 334 CD GLU A 19 -17.294 15.609 -11.055 1.00 0.00 C ATOM 335 OE1 GLU A 19 -17.958 15.890 -12.047 1.00 0.00 O ATOM 336 OE2 GLU A 19 -17.179 14.346 -10.559 1.00 0.00 O ATOM 0 H GLU A 19 -14.027 16.509 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.358 14.948 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -14.773 17.917 -10.341 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.255 17.247 -11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -16.359 16.242 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.101 17.541 -10.145 1.00 0.00 H new ATOM 343 N THR A 20 -11.864 17.093 -11.403 1.00 0.00 N ATOM 344 CA THR A 20 -10.632 17.313 -12.227 1.00 0.00 C ATOM 345 C THR A 20 -9.691 16.061 -12.332 1.00 0.00 C ATOM 346 O THR A 20 -9.278 15.719 -13.443 1.00 0.00 O ATOM 347 CB THR A 20 -9.897 18.605 -11.748 1.00 0.00 C ATOM 348 OG1 THR A 20 -10.777 19.722 -11.747 1.00 0.00 O ATOM 349 CG2 THR A 20 -8.718 19.038 -12.632 1.00 0.00 C ATOM 0 H THR A 20 -11.899 17.669 -10.562 1.00 0.00 H new ATOM 0 HA THR A 20 -10.955 17.466 -13.257 1.00 0.00 H new ATOM 0 HB THR A 20 -9.535 18.335 -10.756 1.00 0.00 H new ATOM 0 HG1 THR A 20 -10.294 20.518 -11.442 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.269 19.943 -12.222 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.972 18.243 -12.659 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.075 19.235 -13.643 1.00 0.00 H new ATOM 357 N VAL A 21 -9.397 15.345 -11.228 1.00 0.00 N ATOM 358 CA VAL A 21 -8.710 14.009 -11.272 1.00 0.00 C ATOM 359 C VAL A 21 -9.509 12.913 -12.073 1.00 0.00 C ATOM 360 O VAL A 21 -8.906 12.211 -12.889 1.00 0.00 O ATOM 361 CB VAL A 21 -8.271 13.563 -9.830 1.00 0.00 C ATOM 362 CG1 VAL A 21 -7.580 12.177 -9.785 1.00 0.00 C ATOM 363 CG2 VAL A 21 -7.301 14.563 -9.153 1.00 0.00 C ATOM 0 H VAL A 21 -9.620 15.660 -10.284 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.797 14.130 -11.856 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.218 13.522 -9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.307 11.940 -8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.264 11.417 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.683 12.198 -10.403 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.036 14.198 -8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.399 14.660 -9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.785 15.536 -9.064 1.00 0.00 H new ATOM 373 N ARG A 22 -10.845 12.794 -11.908 1.00 0.00 N ATOM 374 CA ARG A 22 -11.710 11.998 -12.832 1.00 0.00 C ATOM 375 C ARG A 22 -11.639 12.406 -14.351 1.00 0.00 C ATOM 376 O ARG A 22 -11.524 11.525 -15.207 1.00 0.00 O ATOM 377 CB ARG A 22 -13.151 12.023 -12.245 1.00 0.00 C ATOM 378 CG ARG A 22 -14.207 11.109 -12.925 1.00 0.00 C ATOM 379 CD ARG A 22 -13.997 9.585 -12.793 1.00 0.00 C ATOM 380 NE ARG A 22 -14.261 9.127 -11.400 1.00 0.00 N ATOM 381 CZ ARG A 22 -14.312 7.856 -11.000 1.00 0.00 C ATOM 382 NH1 ARG A 22 -14.093 6.836 -11.793 1.00 0.00 N ATOM 383 NH2 ARG A 22 -14.598 7.613 -9.753 1.00 0.00 N ATOM 0 H ARG A 22 -11.356 13.237 -11.145 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.328 10.978 -12.870 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.092 11.747 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.515 13.050 -12.286 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.185 11.354 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.238 11.357 -13.986 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.659 9.062 -13.483 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.976 9.329 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.416 9.846 -10.693 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.869 6.993 -12.776 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.147 5.885 -11.428 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.776 8.385 -9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.644 6.650 -9.419 1.00 0.00 H new ATOM 397 N ARG A 23 -11.658 13.712 -14.682 1.00 0.00 N ATOM 398 CA ARG A 23 -11.273 14.231 -16.029 1.00 0.00 C ATOM 399 C ARG A 23 -9.830 13.892 -16.534 1.00 0.00 C ATOM 400 O ARG A 23 -9.692 13.536 -17.705 1.00 0.00 O ATOM 401 CB ARG A 23 -11.559 15.761 -16.069 1.00 0.00 C ATOM 402 CG ARG A 23 -13.026 16.148 -16.402 1.00 0.00 C ATOM 403 CD ARG A 23 -13.283 16.564 -17.869 1.00 0.00 C ATOM 404 NE ARG A 23 -12.976 15.488 -18.860 1.00 0.00 N ATOM 405 CZ ARG A 23 -13.866 14.720 -19.487 1.00 0.00 C ATOM 406 NH1 ARG A 23 -15.149 14.735 -19.228 1.00 0.00 N ATOM 407 NH2 ARG A 23 -13.435 13.908 -20.410 1.00 0.00 N ATOM 0 H ARG A 23 -11.939 14.445 -14.030 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.893 13.690 -16.744 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.297 16.189 -15.101 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.902 16.219 -16.809 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.671 15.302 -16.163 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.324 16.970 -15.751 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.327 16.858 -17.977 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -12.679 17.442 -18.100 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.992 15.326 -19.077 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.517 15.360 -18.511 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.781 14.122 -19.743 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.441 13.873 -20.635 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.092 13.307 -20.908 1.00 0.00 H new ATOM 421 N TRP A 24 -8.782 13.960 -15.693 1.00 0.00 N ATOM 422 CA TRP A 24 -7.423 13.422 -16.026 1.00 0.00 C ATOM 423 C TRP A 24 -7.355 11.882 -16.332 1.00 0.00 C ATOM 424 O TRP A 24 -6.673 11.477 -17.278 1.00 0.00 O ATOM 425 CB TRP A 24 -6.414 13.818 -14.909 1.00 0.00 C ATOM 426 CG TRP A 24 -6.143 15.312 -14.629 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.522 16.434 -15.406 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.477 15.839 -13.534 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.099 17.645 -14.827 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.459 17.251 -13.665 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.890 15.217 -12.402 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -4.866 18.051 -12.660 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -4.307 16.028 -11.425 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.297 17.422 -11.551 1.00 0.00 C ATOM 0 H TRP A 24 -8.838 14.384 -14.767 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.150 13.888 -16.973 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.762 13.369 -13.979 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.459 13.352 -15.150 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.071 16.368 -16.334 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.233 18.592 -15.181 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.894 14.142 -12.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.854 19.127 -12.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.856 15.571 -10.557 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.841 18.021 -10.777 1.00 0.00 H new ATOM 445 N VAL A 25 -8.091 11.044 -15.575 1.00 0.00 N ATOM 446 CA VAL A 25 -8.299 9.594 -15.894 1.00 0.00 C ATOM 447 C VAL A 25 -9.151 9.365 -17.200 1.00 0.00 C ATOM 448 O VAL A 25 -8.733 8.589 -18.062 1.00 0.00 O ATOM 449 CB VAL A 25 -8.837 8.843 -14.619 1.00 0.00 C ATOM 450 CG1 VAL A 25 -9.128 7.340 -14.849 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.881 8.908 -13.398 1.00 0.00 C ATOM 0 H VAL A 25 -8.564 11.342 -14.722 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.337 9.148 -16.145 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.760 9.385 -14.413 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.495 6.895 -13.924 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.882 7.231 -15.628 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.212 6.835 -15.157 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.323 8.368 -12.561 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.925 8.453 -13.659 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.722 9.949 -13.115 1.00 0.00 H new ATOM 461 N ARG A 26 -10.298 10.048 -17.384 1.00 0.00 N ATOM 462 CA ARG A 26 -11.064 10.054 -18.673 1.00 0.00 C ATOM 463 C ARG A 26 -10.323 10.619 -19.940 1.00 0.00 C ATOM 464 O ARG A 26 -10.508 10.077 -21.030 1.00 0.00 O ATOM 465 CB ARG A 26 -12.432 10.757 -18.424 1.00 0.00 C ATOM 466 CG ARG A 26 -13.496 9.882 -17.699 1.00 0.00 C ATOM 467 CD ARG A 26 -14.562 9.266 -18.635 1.00 0.00 C ATOM 468 NE ARG A 26 -15.733 10.180 -18.783 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.657 10.113 -19.744 1.00 0.00 C ATOM 470 NH1 ARG A 26 -16.574 9.317 -20.782 1.00 0.00 N ATOM 471 NH2 ARG A 26 -17.702 10.886 -19.649 1.00 0.00 N ATOM 0 H ARG A 26 -10.729 10.614 -16.653 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.199 9.009 -18.950 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.259 11.657 -17.834 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.839 11.078 -19.383 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.987 9.077 -17.169 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.998 10.491 -16.947 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.123 9.070 -19.613 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.892 8.307 -18.235 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.836 10.920 -18.089 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.768 8.701 -20.889 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.315 9.313 -21.483 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.797 11.520 -18.856 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.425 10.857 -20.368 1.00 0.00 H new ATOM 485 N GLU A 27 -9.459 11.644 -19.817 1.00 0.00 N ATOM 486 CA GLU A 27 -8.398 11.946 -20.832 1.00 0.00 C ATOM 487 C GLU A 27 -7.261 10.880 -21.034 1.00 0.00 C ATOM 488 O GLU A 27 -6.542 10.970 -22.032 1.00 0.00 O ATOM 489 CB GLU A 27 -7.761 13.316 -20.444 1.00 0.00 C ATOM 490 CG GLU A 27 -8.598 14.584 -20.757 1.00 0.00 C ATOM 491 CD GLU A 27 -8.334 15.212 -22.126 1.00 0.00 C ATOM 492 OE1 GLU A 27 -8.956 14.543 -23.139 1.00 0.00 O ATOM 493 OE2 GLU A 27 -7.615 16.198 -22.283 1.00 0.00 O ATOM 0 H GLU A 27 -9.465 12.287 -19.026 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.910 11.948 -21.794 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.549 13.303 -19.375 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.804 13.404 -20.957 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.655 14.329 -20.689 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.400 15.330 -19.988 1.00 0.00 H new ATOM 500 N SER A 28 -7.063 9.924 -20.104 1.00 0.00 N ATOM 501 CA SER A 28 -5.923 8.959 -20.101 1.00 0.00 C ATOM 502 C SER A 28 -4.490 9.590 -20.088 1.00 0.00 C ATOM 503 O SER A 28 -3.602 9.167 -20.834 1.00 0.00 O ATOM 504 CB SER A 28 -6.144 7.845 -21.158 1.00 0.00 C ATOM 505 OG SER A 28 -7.353 7.130 -20.903 1.00 0.00 O ATOM 0 H SER A 28 -7.697 9.791 -19.316 1.00 0.00 H new ATOM 0 HA SER A 28 -5.937 8.479 -19.122 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.181 8.286 -22.154 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.300 7.155 -21.146 1.00 0.00 H new ATOM 0 HG SER A 28 -7.471 6.434 -21.583 1.00 0.00 H new ATOM 511 N ARG A 29 -4.250 10.569 -19.190 1.00 0.00 N ATOM 512 CA ARG A 29 -2.883 11.115 -18.946 1.00 0.00 C ATOM 513 C ARG A 29 -2.378 10.905 -17.480 1.00 0.00 C ATOM 514 O ARG A 29 -1.827 11.823 -16.873 1.00 0.00 O ATOM 515 CB ARG A 29 -2.809 12.601 -19.410 1.00 0.00 C ATOM 516 CG ARG A 29 -2.885 12.847 -20.938 1.00 0.00 C ATOM 517 CD ARG A 29 -2.393 14.246 -21.376 1.00 0.00 C ATOM 518 NE ARG A 29 -3.227 15.367 -20.850 1.00 0.00 N ATOM 519 CZ ARG A 29 -4.349 15.826 -21.404 1.00 0.00 C ATOM 520 NH1 ARG A 29 -4.851 15.359 -22.518 1.00 0.00 N ATOM 521 NH2 ARG A 29 -4.993 16.785 -20.805 1.00 0.00 N ATOM 0 H ARG A 29 -4.977 11.001 -18.620 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.186 10.537 -19.553 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.622 13.149 -18.934 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.877 13.029 -19.040 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.291 12.088 -21.448 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.916 12.717 -21.266 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.365 14.381 -21.040 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.382 14.293 -22.465 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.911 15.821 -19.993 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.379 14.602 -23.012 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.714 15.752 -22.893 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.637 17.170 -19.930 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.854 17.152 -21.210 1.00 0.00 H new ATOM 535 N ILE A 30 -2.488 9.679 -16.943 1.00 0.00 N ATOM 536 CA ILE A 30 -1.909 9.287 -15.621 1.00 0.00 C ATOM 537 C ILE A 30 -1.131 7.961 -15.904 1.00 0.00 C ATOM 538 O ILE A 30 -1.752 6.943 -16.235 1.00 0.00 O ATOM 539 CB ILE A 30 -3.024 9.100 -14.525 1.00 0.00 C ATOM 540 CG1 ILE A 30 -3.926 10.342 -14.252 1.00 0.00 C ATOM 541 CG2 ILE A 30 -2.472 8.548 -13.182 1.00 0.00 C ATOM 542 CD1 ILE A 30 -3.221 11.599 -13.715 1.00 0.00 C ATOM 0 H ILE A 30 -2.982 8.917 -17.407 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.254 10.059 -15.217 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.671 8.352 -14.984 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.433 10.606 -15.180 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.698 10.053 -13.538 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.289 8.442 -12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.009 7.576 -13.351 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.729 9.239 -12.782 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.954 12.392 -13.566 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.739 11.368 -12.765 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.470 11.929 -14.433 1.00 0.00 H new ATOM 554 N PHE A 31 0.209 7.965 -15.786 1.00 0.00 N ATOM 555 CA PHE A 31 1.046 6.785 -16.147 1.00 0.00 C ATOM 556 C PHE A 31 2.217 6.531 -15.126 1.00 0.00 C ATOM 557 O PHE A 31 2.872 7.502 -14.724 1.00 0.00 O ATOM 558 CB PHE A 31 1.538 6.921 -17.626 1.00 0.00 C ATOM 559 CG PHE A 31 1.122 5.745 -18.524 1.00 0.00 C ATOM 560 CD1 PHE A 31 -0.178 5.693 -19.039 1.00 0.00 C ATOM 561 CD2 PHE A 31 2.009 4.697 -18.792 1.00 0.00 C ATOM 562 CE1 PHE A 31 -0.588 4.603 -19.803 1.00 0.00 C ATOM 563 CE2 PHE A 31 1.596 3.607 -19.555 1.00 0.00 C ATOM 564 CZ PHE A 31 0.298 3.561 -20.060 1.00 0.00 C ATOM 0 H PHE A 31 0.743 8.765 -15.446 1.00 0.00 H new ATOM 0 HA PHE A 31 0.426 5.891 -16.079 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.144 7.846 -18.047 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.625 7.005 -17.632 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.867 6.502 -18.843 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.017 4.733 -18.406 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.593 4.566 -20.196 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.282 2.797 -19.755 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.021 2.716 -20.652 1.00 0.00 H new ATOM 574 N PRO A 32 2.542 5.273 -14.685 1.00 0.00 N ATOM 575 CA PRO A 32 1.783 4.031 -15.009 1.00 0.00 C ATOM 576 C PRO A 32 0.371 3.914 -14.314 1.00 0.00 C ATOM 577 O PRO A 32 0.154 4.566 -13.285 1.00 0.00 O ATOM 578 CB PRO A 32 2.786 2.933 -14.601 1.00 0.00 C ATOM 579 CG PRO A 32 3.613 3.536 -13.466 1.00 0.00 C ATOM 580 CD PRO A 32 3.704 5.021 -13.812 1.00 0.00 C ATOM 0 HA PRO A 32 1.483 3.978 -16.055 1.00 0.00 H new ATOM 0 HB2 PRO A 32 2.269 2.031 -14.273 1.00 0.00 H new ATOM 0 HB3 PRO A 32 3.420 2.649 -15.441 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.134 3.382 -12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.601 3.080 -13.408 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.667 5.640 -12.915 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.640 5.253 -14.321 1.00 0.00 H new ATOM 588 N PRO A 33 -0.631 3.158 -14.854 1.00 0.00 N ATOM 589 CA PRO A 33 -2.040 3.238 -14.375 1.00 0.00 C ATOM 590 C PRO A 33 -2.329 2.726 -12.912 1.00 0.00 C ATOM 591 O PRO A 33 -1.659 1.788 -12.461 1.00 0.00 O ATOM 592 CB PRO A 33 -2.799 2.446 -15.461 1.00 0.00 C ATOM 593 CG PRO A 33 -1.764 1.505 -16.080 1.00 0.00 C ATOM 594 CD PRO A 33 -0.473 2.319 -16.060 1.00 0.00 C ATOM 0 HA PRO A 33 -2.355 4.275 -14.262 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.630 1.887 -15.030 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.220 3.115 -16.212 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.665 0.585 -15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -2.040 1.218 -17.095 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.407 1.679 -15.995 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.362 2.923 -16.961 1.00 0.00 H new ATOM 602 N PRO A 34 -3.316 3.284 -12.143 1.00 0.00 N ATOM 603 CA PRO A 34 -3.620 2.819 -10.760 1.00 0.00 C ATOM 604 C PRO A 34 -4.367 1.446 -10.669 1.00 0.00 C ATOM 605 O PRO A 34 -5.099 1.037 -11.577 1.00 0.00 O ATOM 606 CB PRO A 34 -4.457 4.004 -10.237 1.00 0.00 C ATOM 607 CG PRO A 34 -5.197 4.546 -11.460 1.00 0.00 C ATOM 608 CD PRO A 34 -4.171 4.408 -12.584 1.00 0.00 C ATOM 0 HA PRO A 34 -2.726 2.596 -10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.156 3.682 -9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.821 4.769 -9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.101 3.974 -11.669 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.501 5.583 -11.319 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.650 4.195 -13.540 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.594 5.323 -12.714 1.00 0.00 H new ATOM 616 N VAL A 35 -4.190 0.742 -9.539 1.00 0.00 N ATOM 617 CA VAL A 35 -4.786 -0.614 -9.326 1.00 0.00 C ATOM 618 C VAL A 35 -6.247 -0.445 -8.791 1.00 0.00 C ATOM 619 O VAL A 35 -6.458 0.072 -7.690 1.00 0.00 O ATOM 620 CB VAL A 35 -3.878 -1.486 -8.385 1.00 0.00 C ATOM 621 CG1 VAL A 35 -4.449 -2.900 -8.112 1.00 0.00 C ATOM 622 CG2 VAL A 35 -2.438 -1.694 -8.914 1.00 0.00 C ATOM 0 H VAL A 35 -3.640 1.079 -8.749 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.836 -1.157 -10.270 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.859 -0.896 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.771 -3.446 -7.456 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.425 -2.812 -7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.554 -3.438 -9.054 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.876 -2.305 -8.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.475 -2.196 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.948 -0.727 -9.026 1.00 0.00 H new ATOM 632 N LYS A 36 -7.261 -0.907 -9.545 1.00 0.00 N ATOM 633 CA LYS A 36 -8.680 -0.841 -9.095 1.00 0.00 C ATOM 634 C LYS A 36 -8.976 -1.886 -7.968 1.00 0.00 C ATOM 635 O LYS A 36 -9.047 -3.092 -8.225 1.00 0.00 O ATOM 636 CB LYS A 36 -9.615 -1.008 -10.324 1.00 0.00 C ATOM 637 CG LYS A 36 -11.077 -0.540 -10.087 1.00 0.00 C ATOM 638 CD LYS A 36 -12.189 -1.552 -10.442 1.00 0.00 C ATOM 639 CE LYS A 36 -12.527 -2.582 -9.348 1.00 0.00 C ATOM 640 NZ LYS A 36 -11.652 -3.769 -9.389 1.00 0.00 N ATOM 0 H LYS A 36 -7.134 -1.329 -10.465 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.872 0.135 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.198 -0.448 -11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.626 -2.058 -10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.183 -0.271 -9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.243 0.368 -10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.095 -0.998 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.892 -2.090 -11.342 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.442 -2.108 -8.370 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.564 -2.897 -9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.087 -4.540 -8.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.524 -4.072 -10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.727 -3.533 -8.977 1.00 0.00 H new ATOM 653 N ASP A 37 -9.146 -1.416 -6.720 1.00 0.00 N ATOM 654 CA ASP A 37 -9.458 -2.298 -5.558 1.00 0.00 C ATOM 655 C ASP A 37 -10.963 -2.730 -5.461 1.00 0.00 C ATOM 656 O ASP A 37 -11.247 -3.914 -5.273 1.00 0.00 O ATOM 657 CB ASP A 37 -8.923 -1.563 -4.298 1.00 0.00 C ATOM 658 CG ASP A 37 -8.895 -2.395 -3.018 1.00 0.00 C ATOM 659 OD1 ASP A 37 -7.833 -3.252 -2.980 1.00 0.00 O ATOM 660 OD2 ASP A 37 -9.737 -2.290 -2.131 1.00 0.00 O ATOM 0 H ASP A 37 -9.074 -0.427 -6.479 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.962 -3.262 -5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.912 -1.211 -4.505 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.538 -0.680 -4.124 1.00 0.00 H new ATOM 665 N GLY A 38 -11.904 -1.779 -5.562 1.00 0.00 N ATOM 666 CA GLY A 38 -13.357 -2.077 -5.512 1.00 0.00 C ATOM 667 C GLY A 38 -14.177 -0.779 -5.483 1.00 0.00 C ATOM 668 O GLY A 38 -14.639 -0.303 -6.521 1.00 0.00 O ATOM 0 H GLY A 38 -11.690 -0.789 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.641 -2.673 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.581 -2.674 -4.628 1.00 0.00 H new ATOM 672 N ARG A 39 -14.302 -0.183 -4.289 1.00 0.00 N ATOM 673 CA ARG A 39 -14.896 1.178 -4.118 1.00 0.00 C ATOM 674 C ARG A 39 -13.937 2.380 -4.463 1.00 0.00 C ATOM 675 O ARG A 39 -14.421 3.456 -4.831 1.00 0.00 O ATOM 676 CB ARG A 39 -15.477 1.224 -2.670 1.00 0.00 C ATOM 677 CG ARG A 39 -16.672 2.174 -2.400 1.00 0.00 C ATOM 678 CD ARG A 39 -16.314 3.642 -2.100 1.00 0.00 C ATOM 679 NE ARG A 39 -17.543 4.355 -1.651 1.00 0.00 N ATOM 680 CZ ARG A 39 -17.578 5.569 -1.100 1.00 0.00 C ATOM 681 NH1 ARG A 39 -16.519 6.322 -0.935 1.00 0.00 N ATOM 682 NH2 ARG A 39 -18.728 6.031 -0.702 1.00 0.00 N ATOM 0 H ARG A 39 -14.002 -0.614 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.684 1.325 -4.857 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.785 0.214 -2.401 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.669 1.502 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.331 2.152 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.240 1.780 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.545 3.693 -1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -15.905 4.120 -2.990 1.00 0.00 H new ATOM 0 HE ARG A 39 -18.433 3.873 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.603 5.987 -1.235 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.610 7.243 -0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -19.571 5.468 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.786 6.956 -0.277 1.00 0.00 H new ATOM 696 N GLU A 40 -12.600 2.238 -4.340 1.00 0.00 N ATOM 697 CA GLU A 40 -11.616 3.272 -4.773 1.00 0.00 C ATOM 698 C GLU A 40 -10.397 2.656 -5.538 1.00 0.00 C ATOM 699 O GLU A 40 -10.118 1.452 -5.505 1.00 0.00 O ATOM 700 CB GLU A 40 -11.181 4.130 -3.541 1.00 0.00 C ATOM 701 CG GLU A 40 -12.234 5.120 -2.977 1.00 0.00 C ATOM 702 CD GLU A 40 -12.634 6.256 -3.922 1.00 0.00 C ATOM 703 OE1 GLU A 40 -13.649 5.902 -4.770 1.00 0.00 O ATOM 704 OE2 GLU A 40 -12.093 7.359 -3.911 1.00 0.00 O ATOM 0 H GLU A 40 -12.166 1.407 -3.939 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.102 3.929 -5.494 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.888 3.452 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.293 4.698 -3.818 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.130 4.559 -2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.844 5.555 -2.057 1.00 0.00 H new ATOM 711 N TYR A 41 -9.670 3.536 -6.248 1.00 0.00 N ATOM 712 CA TYR A 41 -8.437 3.174 -6.997 1.00 0.00 C ATOM 713 C TYR A 41 -7.174 3.388 -6.103 1.00 0.00 C ATOM 714 O TYR A 41 -6.996 4.442 -5.479 1.00 0.00 O ATOM 715 CB TYR A 41 -8.358 4.040 -8.289 1.00 0.00 C ATOM 716 CG TYR A 41 -9.326 3.670 -9.430 1.00 0.00 C ATOM 717 CD1 TYR A 41 -10.673 4.052 -9.372 1.00 0.00 C ATOM 718 CD2 TYR A 41 -8.862 2.972 -10.550 1.00 0.00 C ATOM 719 CE1 TYR A 41 -11.545 3.717 -10.406 1.00 0.00 C ATOM 720 CE2 TYR A 41 -9.729 2.666 -11.597 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.070 3.031 -11.519 1.00 0.00 C ATOM 722 OH TYR A 41 -11.927 2.666 -12.523 1.00 0.00 O ATOM 0 H TYR A 41 -9.915 4.523 -6.324 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.471 2.120 -7.274 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.538 5.079 -8.014 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.340 3.984 -8.675 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.037 4.609 -8.521 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.827 2.669 -10.603 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -12.588 3.990 -10.343 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.361 2.146 -12.469 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.429 2.196 -13.224 1.00 0.00 H new ATOM 732 N LEU A 42 -6.286 2.384 -6.078 1.00 0.00 N ATOM 733 CA LEU A 42 -4.975 2.463 -5.385 1.00 0.00 C ATOM 734 C LEU A 42 -3.903 3.063 -6.346 1.00 0.00 C ATOM 735 O LEU A 42 -3.393 2.397 -7.256 1.00 0.00 O ATOM 736 CB LEU A 42 -4.605 1.035 -4.886 1.00 0.00 C ATOM 737 CG LEU A 42 -5.323 0.530 -3.606 1.00 0.00 C ATOM 738 CD1 LEU A 42 -5.018 -0.962 -3.390 1.00 0.00 C ATOM 739 CD2 LEU A 42 -4.915 1.311 -2.340 1.00 0.00 C ATOM 0 H LEU A 42 -6.449 1.488 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.023 3.126 -4.521 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.812 0.330 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.530 1.007 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.390 0.689 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.525 -1.310 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.370 -1.533 -4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.943 -1.101 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.450 0.912 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.842 1.209 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.165 2.364 -2.466 1.00 0.00 H new ATOM 751 N PHE A 43 -3.576 4.346 -6.136 1.00 0.00 N ATOM 752 CA PHE A 43 -2.568 5.078 -6.943 1.00 0.00 C ATOM 753 C PHE A 43 -1.141 4.821 -6.386 1.00 0.00 C ATOM 754 O PHE A 43 -0.876 5.029 -5.200 1.00 0.00 O ATOM 755 CB PHE A 43 -2.905 6.597 -6.917 1.00 0.00 C ATOM 756 CG PHE A 43 -3.979 7.084 -7.907 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.330 6.787 -7.700 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.617 7.892 -8.992 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.299 7.280 -8.569 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.594 8.421 -9.833 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.933 8.108 -9.626 1.00 0.00 C ATOM 0 H PHE A 43 -4.000 4.914 -5.402 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.594 4.722 -7.973 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.229 6.857 -5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.987 7.153 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.623 6.172 -6.862 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.575 8.106 -9.178 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.337 7.020 -8.423 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.311 9.074 -10.645 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.689 8.508 -10.286 1.00 0.00 H new ATOM 771 N HIS A 44 -0.208 4.393 -7.245 1.00 0.00 N ATOM 772 CA HIS A 44 1.204 4.172 -6.837 1.00 0.00 C ATOM 773 C HIS A 44 2.017 5.505 -6.700 1.00 0.00 C ATOM 774 O HIS A 44 1.760 6.491 -7.398 1.00 0.00 O ATOM 775 CB HIS A 44 1.804 3.185 -7.880 1.00 0.00 C ATOM 776 CG HIS A 44 3.137 2.550 -7.486 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.285 2.661 -8.239 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.398 1.796 -6.328 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.155 1.949 -7.457 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.727 1.407 -6.274 1.00 0.00 N ATOM 0 H HIS A 44 -0.395 4.190 -8.227 1.00 0.00 H new ATOM 0 HA HIS A 44 1.257 3.746 -5.835 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.081 2.390 -8.061 1.00 0.00 H new ATOM 0 HB3 HIS A 44 1.937 3.715 -8.823 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.659 1.552 -5.579 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.179 1.815 -7.773 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.234 0.876 -5.566 1.00 0.00 H new ATOM 788 N GLU A 45 3.068 5.501 -5.858 1.00 0.00 N ATOM 789 CA GLU A 45 4.100 6.587 -5.829 1.00 0.00 C ATOM 790 C GLU A 45 4.707 7.044 -7.206 1.00 0.00 C ATOM 791 O GLU A 45 4.869 8.252 -7.419 1.00 0.00 O ATOM 792 CB GLU A 45 5.232 6.160 -4.844 1.00 0.00 C ATOM 793 CG GLU A 45 4.915 6.323 -3.336 1.00 0.00 C ATOM 794 CD GLU A 45 4.877 7.777 -2.862 1.00 0.00 C ATOM 795 OE1 GLU A 45 6.130 8.288 -2.672 1.00 0.00 O ATOM 796 OE2 GLU A 45 3.840 8.416 -2.712 1.00 0.00 O ATOM 0 H GLU A 45 3.236 4.758 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 45 3.568 7.478 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.476 5.115 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.125 6.742 -5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.952 5.858 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.664 5.782 -2.757 1.00 0.00 H new ATOM 803 N SER A 46 5.001 6.095 -8.118 1.00 0.00 N ATOM 804 CA SER A 46 5.347 6.404 -9.537 1.00 0.00 C ATOM 805 C SER A 46 4.194 6.885 -10.481 1.00 0.00 C ATOM 806 O SER A 46 4.518 7.463 -11.521 1.00 0.00 O ATOM 807 CB SER A 46 6.016 5.156 -10.167 1.00 0.00 C ATOM 808 OG SER A 46 7.154 4.723 -9.424 1.00 0.00 O ATOM 0 H SER A 46 5.008 5.098 -7.903 1.00 0.00 H new ATOM 0 HA SER A 46 6.006 7.270 -9.465 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.290 4.345 -10.222 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.317 5.384 -11.190 1.00 0.00 H new ATOM 0 HG SER A 46 7.544 3.934 -9.854 1.00 0.00 H new ATOM 814 N ALA A 47 2.894 6.646 -10.189 1.00 0.00 N ATOM 815 CA ALA A 47 1.773 7.060 -11.077 1.00 0.00 C ATOM 816 C ALA A 47 1.601 8.610 -11.138 1.00 0.00 C ATOM 817 O ALA A 47 1.144 9.248 -10.183 1.00 0.00 O ATOM 818 CB ALA A 47 0.501 6.347 -10.575 1.00 0.00 C ATOM 0 H ALA A 47 2.591 6.166 -9.342 1.00 0.00 H new ATOM 0 HA ALA A 47 1.985 6.766 -12.105 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.345 6.627 -11.203 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.646 5.268 -10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.301 6.642 -9.545 1.00 0.00 H new ATOM 824 N VAL A 48 2.045 9.208 -12.252 1.00 0.00 N ATOM 825 CA VAL A 48 2.171 10.690 -12.399 1.00 0.00 C ATOM 826 C VAL A 48 1.537 11.161 -13.747 1.00 0.00 C ATOM 827 O VAL A 48 1.274 10.380 -14.668 1.00 0.00 O ATOM 828 CB VAL A 48 3.652 11.190 -12.198 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.170 11.007 -10.753 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.686 10.613 -13.193 1.00 0.00 C ATOM 0 H VAL A 48 2.330 8.691 -13.084 1.00 0.00 H new ATOM 0 HA VAL A 48 1.604 11.160 -11.596 1.00 0.00 H new ATOM 0 HB VAL A 48 3.568 12.255 -12.414 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.195 11.372 -10.685 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.538 11.570 -10.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.142 9.950 -10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.672 11.019 -12.969 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.712 9.527 -13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.404 10.885 -14.210 1.00 0.00 H new ATOM 840 N LYS A 49 1.285 12.474 -13.869 1.00 0.00 N ATOM 841 CA LYS A 49 0.608 13.055 -15.059 1.00 0.00 C ATOM 842 C LYS A 49 1.546 13.079 -16.314 1.00 0.00 C ATOM 843 O LYS A 49 2.601 13.723 -16.295 1.00 0.00 O ATOM 844 CB LYS A 49 0.118 14.484 -14.699 1.00 0.00 C ATOM 845 CG LYS A 49 -0.923 14.613 -13.550 1.00 0.00 C ATOM 846 CD LYS A 49 -0.631 15.773 -12.576 1.00 0.00 C ATOM 847 CE LYS A 49 -0.857 17.166 -13.191 1.00 0.00 C ATOM 848 NZ LYS A 49 -0.440 18.214 -12.240 1.00 0.00 N ATOM 0 H LYS A 49 1.538 13.162 -13.160 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.242 12.427 -15.325 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.989 15.082 -14.433 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.313 14.929 -15.596 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.913 14.754 -13.983 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.951 13.678 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.266 15.666 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.402 15.699 -12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.291 17.259 -14.118 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.909 17.293 -13.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.597 19.150 -12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.998 18.132 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.569 18.099 -12.018 1.00 0.00 H new ATOM 861 N VAL A 50 1.184 12.357 -17.391 1.00 0.00 N ATOM 862 CA VAL A 50 2.098 12.155 -18.562 1.00 0.00 C ATOM 863 C VAL A 50 2.115 13.392 -19.528 1.00 0.00 C ATOM 864 O VAL A 50 1.063 13.941 -19.883 1.00 0.00 O ATOM 865 CB VAL A 50 1.806 10.773 -19.249 1.00 0.00 C ATOM 866 CG1 VAL A 50 0.645 10.769 -20.267 1.00 0.00 C ATOM 867 CG2 VAL A 50 3.044 10.165 -19.941 1.00 0.00 C ATOM 0 H VAL A 50 0.276 11.902 -17.487 1.00 0.00 H new ATOM 0 HA VAL A 50 3.127 12.099 -18.206 1.00 0.00 H new ATOM 0 HB VAL A 50 1.506 10.160 -18.399 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.528 9.768 -20.682 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.278 11.065 -19.768 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.864 11.472 -21.071 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.775 9.212 -20.396 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.401 10.847 -20.713 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.831 10.006 -19.204 1.00 0.00 H new ATOM 877 N ASP A 51 3.314 13.817 -19.968 1.00 0.00 N ATOM 878 CA ASP A 51 3.468 14.999 -20.859 1.00 0.00 C ATOM 879 C ASP A 51 3.140 14.646 -22.347 1.00 0.00 C ATOM 880 O ASP A 51 3.923 13.977 -23.029 1.00 0.00 O ATOM 881 CB ASP A 51 4.900 15.566 -20.660 1.00 0.00 C ATOM 882 CG ASP A 51 5.150 16.965 -21.233 1.00 0.00 C ATOM 883 OD1 ASP A 51 4.300 17.673 -21.766 1.00 0.00 O ATOM 884 OD2 ASP A 51 6.441 17.354 -21.063 1.00 0.00 O ATOM 0 H ASP A 51 4.195 13.364 -19.725 1.00 0.00 H new ATOM 0 HA ASP A 51 2.748 15.773 -20.594 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.116 15.588 -19.592 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.610 14.876 -21.115 1.00 0.00 H new ATOM 889 N LEU A 52 1.972 15.104 -22.825 1.00 0.00 N ATOM 890 CA LEU A 52 1.485 14.824 -24.208 1.00 0.00 C ATOM 891 C LEU A 52 1.322 16.138 -25.042 1.00 0.00 C ATOM 892 O LEU A 52 2.007 16.304 -26.054 1.00 0.00 O ATOM 893 CB LEU A 52 0.207 13.926 -24.124 1.00 0.00 C ATOM 894 CG LEU A 52 0.129 12.771 -25.156 1.00 0.00 C ATOM 895 CD1 LEU A 52 1.067 11.609 -24.775 1.00 0.00 C ATOM 896 CD2 LEU A 52 -1.309 12.234 -25.265 1.00 0.00 C ATOM 0 H LEU A 52 1.332 15.678 -22.275 1.00 0.00 H new ATOM 0 HA LEU A 52 2.229 14.257 -24.767 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.150 13.499 -23.123 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.670 14.561 -24.250 1.00 0.00 H new ATOM 0 HG LEU A 52 0.443 13.180 -26.116 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.987 10.817 -25.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.095 11.969 -24.737 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.783 11.218 -23.798 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.341 11.425 -25.994 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.632 11.860 -24.294 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.974 13.037 -25.584 1.00 0.00 H new ATOM 908 N ASN A 53 0.445 17.078 -24.624 1.00 0.00 N ATOM 909 CA ASN A 53 0.311 18.412 -25.271 1.00 0.00 C ATOM 910 C ASN A 53 1.216 19.466 -24.549 1.00 0.00 C ATOM 911 O ASN A 53 1.036 19.744 -23.359 1.00 0.00 O ATOM 912 CB ASN A 53 -1.194 18.800 -25.248 1.00 0.00 C ATOM 913 CG ASN A 53 -1.577 19.956 -26.180 1.00 0.00 C ATOM 914 OD1 ASN A 53 -1.994 19.755 -27.314 1.00 0.00 O ATOM 915 ND2 ASN A 53 -1.447 21.189 -25.755 1.00 0.00 N ATOM 0 H ASN A 53 -0.187 16.940 -23.836 1.00 0.00 H new ATOM 0 HA ASN A 53 0.652 18.382 -26.306 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.784 17.924 -25.518 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.470 19.068 -24.228 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.692 21.968 -26.367 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.101 21.370 -24.813 1.00 0.00 H new ATOM 922 N ARG A 54 2.156 20.078 -25.287 1.00 0.00 N ATOM 923 CA ARG A 54 3.036 21.159 -24.749 1.00 0.00 C ATOM 924 C ARG A 54 2.426 22.605 -24.919 1.00 0.00 C ATOM 925 O ARG A 54 1.653 22.821 -25.862 1.00 0.00 O ATOM 926 CB ARG A 54 4.422 21.044 -25.449 1.00 0.00 C ATOM 927 CG ARG A 54 5.283 19.828 -25.013 1.00 0.00 C ATOM 928 CD ARG A 54 6.631 19.696 -25.756 1.00 0.00 C ATOM 929 NE ARG A 54 7.617 20.756 -25.382 1.00 0.00 N ATOM 930 CZ ARG A 54 8.510 20.681 -24.392 1.00 0.00 C ATOM 931 NH1 ARG A 54 8.634 19.642 -23.603 1.00 0.00 N ATOM 932 NH2 ARG A 54 9.303 21.695 -24.199 1.00 0.00 N ATOM 0 H ARG A 54 2.336 19.850 -26.265 1.00 0.00 H new ATOM 0 HA ARG A 54 3.136 21.020 -23.673 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.264 20.990 -26.526 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.986 21.956 -25.255 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.478 19.903 -23.943 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.706 18.916 -25.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.061 18.717 -25.543 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.452 19.739 -26.830 1.00 0.00 H new ATOM 0 HE ARG A 54 7.607 21.614 -25.933 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.028 18.831 -23.729 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.336 19.644 -22.863 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.232 22.519 -24.797 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.995 21.666 -23.450 1.00 0.00 H new ATOM 946 N PRO A 55 2.754 23.635 -24.076 1.00 0.00 N ATOM 947 CA PRO A 55 2.227 25.021 -24.252 1.00 0.00 C ATOM 948 C PRO A 55 2.811 25.816 -25.471 1.00 0.00 C ATOM 949 O PRO A 55 3.926 25.564 -25.942 1.00 0.00 O ATOM 950 CB PRO A 55 2.576 25.658 -22.890 1.00 0.00 C ATOM 951 CG PRO A 55 3.838 24.929 -22.424 1.00 0.00 C ATOM 952 CD PRO A 55 3.619 23.488 -22.885 1.00 0.00 C ATOM 0 HA PRO A 55 1.166 25.031 -24.501 1.00 0.00 H new ATOM 0 HB2 PRO A 55 2.753 26.729 -22.989 1.00 0.00 H new ATOM 0 HB3 PRO A 55 1.762 25.534 -22.176 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.735 25.359 -22.869 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.958 24.989 -21.342 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.561 22.998 -23.131 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.139 22.888 -22.112 1.00 0.00 H new ATOM 960 N VAL A 56 2.035 26.793 -25.972 1.00 0.00 N ATOM 961 CA VAL A 56 2.395 27.575 -27.196 1.00 0.00 C ATOM 962 C VAL A 56 3.450 28.700 -26.911 1.00 0.00 C ATOM 963 O VAL A 56 3.265 29.552 -26.036 1.00 0.00 O ATOM 964 CB VAL A 56 1.131 28.117 -27.955 1.00 0.00 C ATOM 965 CG1 VAL A 56 0.250 26.992 -28.546 1.00 0.00 C ATOM 966 CG2 VAL A 56 0.227 29.093 -27.164 1.00 0.00 C ATOM 0 H VAL A 56 1.147 27.071 -25.554 1.00 0.00 H new ATOM 0 HA VAL A 56 2.881 26.870 -27.870 1.00 0.00 H new ATOM 0 HB VAL A 56 1.589 28.696 -28.757 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.607 27.431 -29.057 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.835 26.406 -29.255 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.100 26.344 -27.742 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.612 29.399 -27.789 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.149 28.597 -26.269 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.805 29.971 -26.876 1.00 0.00 H new ATOM 976 N THR A 57 4.555 28.701 -27.675 1.00 0.00 N ATOM 977 CA THR A 57 5.678 29.672 -27.502 1.00 0.00 C ATOM 978 C THR A 57 5.599 30.815 -28.562 1.00 0.00 C ATOM 979 O THR A 57 5.566 30.532 -29.766 1.00 0.00 O ATOM 980 CB THR A 57 7.059 28.954 -27.630 1.00 0.00 C ATOM 981 OG1 THR A 57 7.196 28.343 -28.913 1.00 0.00 O ATOM 982 CG2 THR A 57 7.347 27.885 -26.563 1.00 0.00 C ATOM 0 H THR A 57 4.707 28.035 -28.432 1.00 0.00 H new ATOM 0 HA THR A 57 5.584 30.101 -26.504 1.00 0.00 H new ATOM 0 HB THR A 57 7.784 29.754 -27.482 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.774 28.910 -29.592 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.329 27.448 -26.742 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.328 28.343 -25.574 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.588 27.105 -26.616 1.00 0.00 H new ATOM 990 N GLY A 58 5.657 32.090 -28.130 1.00 0.00 N ATOM 991 CA GLY A 58 5.725 33.247 -29.068 1.00 0.00 C ATOM 992 C GLY A 58 7.113 33.523 -29.704 1.00 0.00 C ATOM 993 O GLY A 58 7.854 32.600 -30.057 1.00 0.00 O ATOM 0 H GLY A 58 5.659 32.352 -27.144 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.006 33.082 -29.870 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.407 34.142 -28.534 1.00 0.00 H new ATOM 997 N SER A 59 7.450 34.804 -29.931 1.00 0.00 N ATOM 998 CA SER A 59 8.747 35.206 -30.559 1.00 0.00 C ATOM 999 C SER A 59 9.059 36.716 -30.312 1.00 0.00 C ATOM 1000 O SER A 59 8.184 37.578 -30.446 1.00 0.00 O ATOM 1001 CB SER A 59 8.762 34.882 -32.077 1.00 0.00 C ATOM 1002 OG SER A 59 8.812 33.470 -32.289 1.00 0.00 O ATOM 0 H SER A 59 6.847 35.592 -29.692 1.00 0.00 H new ATOM 0 HA SER A 59 9.533 34.621 -30.081 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.872 35.295 -32.551 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.623 35.357 -32.547 1.00 0.00 H new ATOM 0 HG SER A 59 8.702 33.007 -31.433 1.00 0.00 H new ATOM 1008 N LEU A 60 10.324 37.029 -29.974 1.00 0.00 N ATOM 1009 CA LEU A 60 10.801 38.433 -29.784 1.00 0.00 C ATOM 1010 C LEU A 60 11.507 39.021 -31.052 1.00 0.00 C ATOM 1011 O LEU A 60 12.078 38.305 -31.879 1.00 0.00 O ATOM 1012 CB LEU A 60 11.721 38.486 -28.521 1.00 0.00 C ATOM 1013 CG LEU A 60 11.027 38.965 -27.218 1.00 0.00 C ATOM 1014 CD1 LEU A 60 11.891 38.635 -25.990 1.00 0.00 C ATOM 1015 CD2 LEU A 60 10.750 40.482 -27.240 1.00 0.00 C ATOM 0 H LEU A 60 11.049 36.328 -29.823 1.00 0.00 H new ATOM 0 HA LEU A 60 9.932 39.072 -29.628 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.134 37.492 -28.350 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.561 39.148 -28.731 1.00 0.00 H new ATOM 0 HG LEU A 60 10.076 38.437 -27.155 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.387 38.979 -25.087 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.044 37.557 -25.932 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.856 39.134 -26.079 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.264 40.777 -26.310 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.691 41.022 -27.344 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.099 40.721 -28.081 1.00 0.00 H new ATOM 1027 N LEU A 61 11.470 40.361 -31.173 1.00 0.00 N ATOM 1028 CA LEU A 61 12.033 41.106 -32.337 1.00 0.00 C ATOM 1029 C LEU A 61 12.799 42.388 -31.872 1.00 0.00 C ATOM 1030 O LEU A 61 12.325 43.135 -31.007 1.00 0.00 O ATOM 1031 CB LEU A 61 10.896 41.389 -33.365 1.00 0.00 C ATOM 1032 CG LEU A 61 9.735 42.341 -32.932 1.00 0.00 C ATOM 1033 CD1 LEU A 61 9.874 43.740 -33.557 1.00 0.00 C ATOM 1034 CD2 LEU A 61 8.356 41.752 -33.274 1.00 0.00 C ATOM 0 H LEU A 61 11.050 40.968 -30.469 1.00 0.00 H new ATOM 0 HA LEU A 61 12.782 40.497 -32.844 1.00 0.00 H new ATOM 0 HB2 LEU A 61 11.353 41.807 -34.262 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.456 40.433 -33.648 1.00 0.00 H new ATOM 0 HG LEU A 61 9.811 42.440 -31.849 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.046 44.369 -33.229 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.817 44.187 -33.241 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.858 43.656 -34.644 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.576 42.444 -32.957 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.285 41.593 -34.350 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.229 40.801 -32.758 1.00 0.00 H new ATOM 1046 N LYS A 62 13.981 42.659 -32.458 1.00 0.00 N ATOM 1047 CA LYS A 62 14.784 43.870 -32.125 1.00 0.00 C ATOM 1048 C LYS A 62 14.376 45.092 -33.015 1.00 0.00 C ATOM 1049 O LYS A 62 14.446 45.027 -34.246 1.00 0.00 O ATOM 1050 CB LYS A 62 16.291 43.529 -32.294 1.00 0.00 C ATOM 1051 CG LYS A 62 17.252 44.519 -31.587 1.00 0.00 C ATOM 1052 CD LYS A 62 18.667 44.530 -32.200 1.00 0.00 C ATOM 1053 CE LYS A 62 19.692 45.359 -31.402 1.00 0.00 C ATOM 1054 NZ LYS A 62 20.188 44.617 -30.224 1.00 0.00 N ATOM 0 H LYS A 62 14.408 42.061 -33.165 1.00 0.00 H new ATOM 0 HA LYS A 62 14.589 44.158 -31.092 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.470 42.527 -31.905 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.529 43.506 -33.357 1.00 0.00 H new ATOM 0 HG2 LYS A 62 16.832 45.524 -31.639 1.00 0.00 H new ATOM 0 HG3 LYS A 62 17.322 44.257 -30.531 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.026 43.504 -32.276 1.00 0.00 H new ATOM 0 HD3 LYS A 62 18.609 44.924 -33.215 1.00 0.00 H new ATOM 0 HE2 LYS A 62 20.530 45.622 -32.047 1.00 0.00 H new ATOM 0 HE3 LYS A 62 19.233 46.293 -31.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 20.876 45.203 -29.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 19.390 44.388 -29.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 20.647 43.738 -30.536 1.00 0.00 H new ATOM 1067 N ARG A 63 13.998 46.221 -32.389 1.00 0.00 N ATOM 1068 CA ARG A 63 13.807 47.512 -33.113 1.00 0.00 C ATOM 1069 C ARG A 63 15.137 48.324 -33.330 1.00 0.00 C ATOM 1070 O ARG A 63 16.112 48.165 -32.587 1.00 0.00 O ATOM 1071 CB ARG A 63 12.703 48.340 -32.389 1.00 0.00 C ATOM 1072 CG ARG A 63 13.078 48.985 -31.023 1.00 0.00 C ATOM 1073 CD ARG A 63 12.368 50.328 -30.774 1.00 0.00 C ATOM 1074 NE ARG A 63 13.041 51.037 -29.650 1.00 0.00 N ATOM 1075 CZ ARG A 63 12.879 52.323 -29.343 1.00 0.00 C ATOM 1076 NH1 ARG A 63 11.993 53.098 -29.919 1.00 0.00 N ATOM 1077 NH2 ARG A 63 13.640 52.836 -28.420 1.00 0.00 N ATOM 0 H ARG A 63 13.817 46.276 -31.387 1.00 0.00 H new ATOM 0 HA ARG A 63 13.476 47.284 -34.126 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.382 49.136 -33.061 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.843 47.690 -32.231 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.825 48.293 -30.220 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.156 49.138 -30.984 1.00 0.00 H new ATOM 0 HD2 ARG A 63 12.396 50.941 -31.675 1.00 0.00 H new ATOM 0 HD3 ARG A 63 11.318 50.159 -30.536 1.00 0.00 H new ATOM 0 HE ARG A 63 13.678 50.493 -29.068 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.382 52.723 -30.644 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.915 54.077 -29.642 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.337 52.256 -27.953 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.539 53.818 -28.163 1.00 0.00 H new ATOM 1091 N ILE A 64 15.140 49.256 -34.302 1.00 0.00 N ATOM 1092 CA ILE A 64 16.262 50.232 -34.505 1.00 0.00 C ATOM 1093 C ILE A 64 15.728 51.710 -34.587 1.00 0.00 C ATOM 1094 O ILE A 64 14.573 51.964 -34.947 1.00 0.00 O ATOM 1095 CB ILE A 64 17.181 49.758 -35.690 1.00 0.00 C ATOM 1096 CG1 ILE A 64 18.598 50.402 -35.642 1.00 0.00 C ATOM 1097 CG2 ILE A 64 16.541 49.928 -37.094 1.00 0.00 C ATOM 1098 CD1 ILE A 64 19.687 49.634 -36.412 1.00 0.00 C ATOM 0 H ILE A 64 14.378 49.365 -34.971 1.00 0.00 H new ATOM 0 HA ILE A 64 16.916 50.248 -33.633 1.00 0.00 H new ATOM 0 HB ILE A 64 17.294 48.685 -35.534 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.535 51.413 -36.043 1.00 0.00 H new ATOM 0 HG13 ILE A 64 18.905 50.491 -34.600 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.238 49.579 -37.856 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.622 49.345 -37.148 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.314 50.980 -37.265 1.00 0.00 H new ATOM 0 HD11 ILE A 64 20.637 50.160 -36.320 1.00 0.00 H new ATOM 0 HD12 ILE A 64 19.786 48.630 -35.998 1.00 0.00 H new ATOM 0 HD13 ILE A 64 19.410 49.567 -37.464 1.00 0.00 H new ATOM 1110 N ARG A 65 16.577 52.690 -34.222 1.00 0.00 N ATOM 1111 CA ARG A 65 16.201 54.132 -34.173 1.00 0.00 C ATOM 1112 C ARG A 65 17.179 54.981 -35.045 1.00 0.00 C ATOM 1113 O ARG A 65 18.337 55.191 -34.669 1.00 0.00 O ATOM 1114 CB ARG A 65 16.200 54.549 -32.674 1.00 0.00 C ATOM 1115 CG ARG A 65 15.729 55.985 -32.330 1.00 0.00 C ATOM 1116 CD ARG A 65 14.232 56.257 -32.594 1.00 0.00 C ATOM 1117 NE ARG A 65 13.742 57.415 -31.791 1.00 0.00 N ATOM 1118 CZ ARG A 65 13.759 58.696 -32.163 1.00 0.00 C ATOM 1119 NH1 ARG A 65 14.220 59.118 -33.315 1.00 0.00 N ATOM 1120 NH2 ARG A 65 13.293 59.580 -31.326 1.00 0.00 N ATOM 0 H ARG A 65 17.544 52.513 -33.951 1.00 0.00 H new ATOM 0 HA ARG A 65 15.210 54.307 -34.593 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.566 53.848 -32.131 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.213 54.426 -32.290 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.939 56.179 -31.278 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.320 56.695 -32.909 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.078 56.456 -33.655 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.650 55.369 -32.348 1.00 0.00 H new ATOM 0 HE ARG A 65 13.357 57.207 -30.869 1.00 0.00 H new ATOM 0 HH11 ARG A 65 14.595 58.451 -33.989 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.204 60.113 -33.537 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.931 59.283 -30.420 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.290 60.569 -31.577 1.00 0.00 H new ATOM 1134 N ASN A 66 16.700 55.503 -36.186 1.00 0.00 N ATOM 1135 CA ASN A 66 17.513 56.385 -37.075 1.00 0.00 C ATOM 1136 C ASN A 66 17.388 57.897 -36.682 1.00 0.00 C ATOM 1137 O ASN A 66 16.299 58.397 -36.372 1.00 0.00 O ATOM 1138 CB ASN A 66 17.096 56.152 -38.556 1.00 0.00 C ATOM 1139 CG ASN A 66 17.512 54.795 -39.141 1.00 0.00 C ATOM 1140 OD1 ASN A 66 16.850 53.780 -38.957 1.00 0.00 O ATOM 1141 ND2 ASN A 66 18.613 54.724 -39.853 1.00 0.00 N ATOM 0 H ASN A 66 15.753 55.336 -36.525 1.00 0.00 H new ATOM 0 HA ASN A 66 18.563 56.121 -36.951 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.013 56.247 -38.632 1.00 0.00 H new ATOM 0 HB3 ASN A 66 17.529 56.943 -39.168 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.909 53.831 -40.246 1.00 0.00 H new ATOM 0 HD22 ASN A 66 19.172 55.562 -40.013 1.00 0.00 H new ATOM 1148 N GLY A 67 18.520 58.624 -36.729 1.00 0.00 N ATOM 1149 CA GLY A 67 18.542 60.106 -36.583 1.00 0.00 C ATOM 1150 C GLY A 67 18.661 60.886 -37.916 1.00 0.00 C ATOM 1151 O GLY A 67 19.125 60.364 -38.935 1.00 0.00 O ATOM 0 H GLY A 67 19.443 58.212 -36.868 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.631 60.421 -36.074 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.378 60.382 -35.940 1.00 0.00 H new ATOM 1155 N LYS A 68 18.247 62.163 -37.893 1.00 0.00 N ATOM 1156 CA LYS A 68 18.223 63.038 -39.101 1.00 0.00 C ATOM 1157 C LYS A 68 18.698 64.476 -38.719 1.00 0.00 C ATOM 1158 O LYS A 68 18.117 65.136 -37.851 1.00 0.00 O ATOM 1159 CB LYS A 68 16.788 62.969 -39.702 1.00 0.00 C ATOM 1160 CG LYS A 68 16.521 63.744 -41.017 1.00 0.00 C ATOM 1161 CD LYS A 68 16.006 65.184 -40.804 1.00 0.00 C ATOM 1162 CE LYS A 68 15.569 65.850 -42.117 1.00 0.00 C ATOM 1163 NZ LYS A 68 15.003 67.185 -41.839 1.00 0.00 N ATOM 0 H LYS A 68 17.919 62.627 -37.046 1.00 0.00 H new ATOM 0 HA LYS A 68 18.917 62.704 -39.872 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.547 61.920 -39.876 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.091 63.336 -38.949 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.442 63.781 -41.598 1.00 0.00 H new ATOM 0 HG3 LYS A 68 15.792 63.192 -41.610 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.165 65.167 -40.111 1.00 0.00 H new ATOM 0 HD3 LYS A 68 16.790 65.782 -40.340 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.421 65.940 -42.791 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.828 65.229 -42.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.387 67.472 -42.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.448 67.151 -40.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.775 67.874 -41.734 1.00 0.00 H new ATOM 1176 N LYS A 69 19.761 64.951 -39.388 1.00 0.00 N ATOM 1177 CA LYS A 69 20.353 66.301 -39.165 1.00 0.00 C ATOM 1178 C LYS A 69 19.936 67.338 -40.262 1.00 0.00 C ATOM 1179 O LYS A 69 19.850 67.016 -41.452 1.00 0.00 O ATOM 1180 CB LYS A 69 21.899 66.161 -39.031 1.00 0.00 C ATOM 1181 CG LYS A 69 22.665 65.536 -40.226 1.00 0.00 C ATOM 1182 CD LYS A 69 24.190 65.507 -40.024 1.00 0.00 C ATOM 1183 CE LYS A 69 24.877 64.674 -41.115 1.00 0.00 C ATOM 1184 NZ LYS A 69 26.343 64.724 -40.944 1.00 0.00 N ATOM 0 H LYS A 69 20.245 64.413 -40.107 1.00 0.00 H new ATOM 0 HA LYS A 69 19.953 66.706 -38.236 1.00 0.00 H new ATOM 0 HB2 LYS A 69 22.312 67.153 -38.847 1.00 0.00 H new ATOM 0 HB3 LYS A 69 22.107 65.560 -38.146 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.307 64.519 -40.386 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.436 66.100 -41.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 24.581 66.524 -40.039 1.00 0.00 H new ATOM 0 HD3 LYS A 69 24.422 65.090 -39.044 1.00 0.00 H new ATOM 0 HE2 LYS A 69 24.532 63.641 -41.066 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.605 65.054 -42.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.799 64.157 -41.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 26.667 65.710 -41.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 26.597 64.340 -40.011 1.00 0.00 H new ATOM 1197 N ALA A 70 19.714 68.598 -39.849 1.00 0.00 N ATOM 1198 CA ALA A 70 19.394 69.723 -40.770 1.00 0.00 C ATOM 1199 C ALA A 70 20.260 70.988 -40.463 1.00 0.00 C ATOM 1200 O ALA A 70 20.621 71.256 -39.311 1.00 0.00 O ATOM 1201 CB ALA A 70 17.886 70.012 -40.627 1.00 0.00 C ATOM 0 H ALA A 70 19.749 68.874 -38.868 1.00 0.00 H new ATOM 0 HA ALA A 70 19.631 69.450 -41.798 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.609 70.833 -41.288 1.00 0.00 H new ATOM 0 HB2 ALA A 70 17.318 69.122 -40.897 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.664 70.285 -39.595 1.00 0.00 H new ATOM 1207 N LYS A 71 20.583 71.789 -41.499 1.00 0.00 N ATOM 1208 CA LYS A 71 21.383 73.037 -41.332 1.00 0.00 C ATOM 1209 C LYS A 71 20.499 74.235 -40.846 1.00 0.00 C ATOM 1210 O LYS A 71 19.450 74.532 -41.428 1.00 0.00 O ATOM 1211 CB LYS A 71 22.141 73.320 -42.663 1.00 0.00 C ATOM 1212 CG LYS A 71 23.350 74.287 -42.553 1.00 0.00 C ATOM 1213 CD LYS A 71 23.017 75.792 -42.694 1.00 0.00 C ATOM 1214 CE LYS A 71 24.031 76.745 -42.033 1.00 0.00 C ATOM 1215 NZ LYS A 71 25.340 76.746 -42.714 1.00 0.00 N ATOM 0 H LYS A 71 20.306 71.601 -42.462 1.00 0.00 H new ATOM 0 HA LYS A 71 22.122 72.905 -40.542 1.00 0.00 H new ATOM 0 HB2 LYS A 71 22.493 72.371 -43.069 1.00 0.00 H new ATOM 0 HB3 LYS A 71 21.434 73.732 -43.383 1.00 0.00 H new ATOM 0 HG2 LYS A 71 23.832 74.129 -41.588 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.077 74.020 -43.320 1.00 0.00 H new ATOM 0 HD2 LYS A 71 22.948 76.036 -43.754 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.034 75.974 -42.261 1.00 0.00 H new ATOM 0 HE2 LYS A 71 23.626 77.757 -42.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.169 76.456 -40.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 25.983 77.403 -42.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 25.743 75.788 -42.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 25.217 77.048 -43.702 1.00 0.00 H new ATOM 1228 N SER A 72 20.943 74.939 -39.789 1.00 0.00 N ATOM 1229 CA SER A 72 20.202 76.090 -39.206 1.00 0.00 C ATOM 1230 C SER A 72 20.284 77.391 -40.049 1.00 0.00 C ATOM 1231 O SER A 72 21.364 77.922 -40.314 1.00 0.00 O ATOM 1232 CB SER A 72 20.692 76.297 -37.752 1.00 0.00 C ATOM 1233 OG SER A 72 22.079 76.648 -37.691 1.00 0.00 O ATOM 1234 OXT SER A 72 19.250 77.917 -40.464 1.00 0.00 O ATOM 0 H SER A 72 21.821 74.733 -39.311 1.00 0.00 H new ATOM 0 HA SER A 72 19.139 75.847 -39.211 1.00 0.00 H new ATOM 0 HB2 SER A 72 20.100 77.081 -37.280 1.00 0.00 H new ATOM 0 HB3 SER A 72 20.525 75.384 -37.181 1.00 0.00 H new ATOM 0 HG SER A 72 22.357 77.034 -38.548 1.00 0.00 H new TER 1240 SER A 72