USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 824 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 44 MET CE :methyl -171:sc= -3.63! (180deg=-3.66!) USER MOD Set 1.2: A 57 ASN : amide:sc= -1.35 K(o=-5,f=-7.2!) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.752 K(o=-0.19,f=0.42) USER MOD Set 2.2: A 14 HIS : no HD1:sc= 0.561 K(o=-0.19,f=-6.1!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -137:sc= -0.0333 (180deg=-1.09) USER MOD Single : A 21 SER OG : rot -23:sc= 0.0532 USER MOD Single : A 24 TYR OH : rot -66:sc= 1.47 USER MOD Single : A 29 ASN : amide:sc= -0.185 K(o=-0.19,f=-5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 162:sc= -3.12! (180deg=-3.92!) USER MOD Single : A 41 HIS : no HD1:sc= -0.338 X(o=-0.34,f=-0.2) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0567 K(o=-0.057,f=-0.74) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 10:sc= 0.0152 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.664 K(o=-0.66,f=-1.2) USER MOD Single : A 60 TYR OH : rot 165:sc= 0.143 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.99 K(o=-3,f=-6.8!) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.0795 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.668 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 98 SER OG : rot 94:sc= 0.0852 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 0.028 -7.054 -17.995 1.00 0.00 N ATOM 2 CA GLU A 1 1.465 -6.971 -17.651 1.00 0.00 C ATOM 3 C GLU A 1 2.162 -8.328 -17.453 1.00 0.00 C ATOM 4 O GLU A 1 3.256 -8.525 -17.978 1.00 0.00 O ATOM 5 CB GLU A 1 1.660 -6.140 -16.384 1.00 0.00 C ATOM 6 CG GLU A 1 1.590 -4.629 -16.607 1.00 0.00 C ATOM 7 CD GLU A 1 1.448 -3.876 -15.279 1.00 0.00 C ATOM 8 OE1 GLU A 1 2.247 -4.143 -14.355 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.511 -3.055 -15.218 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.358 -6.095 -18.109 1.00 0.00 H new ATOM 0 H2 GLU A 1 -0.086 -7.581 -18.884 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.483 -7.544 -17.234 1.00 0.00 H new ATOM 0 HA GLU A 1 1.931 -6.501 -18.517 1.00 0.00 H new ATOM 0 HB2 GLU A 1 0.900 -6.424 -15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 1 2.627 -6.387 -15.947 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.489 -4.293 -17.123 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.745 -4.393 -17.253 1.00 0.00 H new ATOM 17 N LEU A 2 1.521 -9.212 -16.676 1.00 0.00 N ATOM 18 CA LEU A 2 1.959 -10.598 -16.410 1.00 0.00 C ATOM 19 C LEU A 2 2.390 -11.341 -17.691 1.00 0.00 C ATOM 20 O LEU A 2 1.583 -11.665 -18.552 1.00 0.00 O ATOM 21 CB LEU A 2 0.861 -11.343 -15.631 1.00 0.00 C ATOM 22 CG LEU A 2 -0.525 -11.394 -16.287 1.00 0.00 C ATOM 23 CD1 LEU A 2 -0.800 -12.773 -16.898 1.00 0.00 C ATOM 24 CD2 LEU A 2 -1.601 -11.037 -15.262 1.00 0.00 C ATOM 0 H LEU A 2 0.652 -8.978 -16.196 1.00 0.00 H new ATOM 0 HA LEU A 2 2.856 -10.564 -15.791 1.00 0.00 H new ATOM 0 HB2 LEU A 2 1.197 -12.366 -15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.759 -10.875 -14.652 1.00 0.00 H new ATOM 0 HG LEU A 2 -0.548 -10.663 -17.095 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -1.789 -12.778 -17.355 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -0.049 -12.991 -17.657 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -0.758 -13.532 -16.117 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -2.582 -11.076 -15.736 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.568 -11.749 -14.437 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.421 -10.032 -14.881 1.00 0.00 H new ATOM 36 N ILE A 3 3.694 -11.228 -17.920 1.00 0.00 N ATOM 37 CA ILE A 3 4.349 -11.766 -19.133 1.00 0.00 C ATOM 38 C ILE A 3 4.974 -13.147 -18.885 1.00 0.00 C ATOM 39 O ILE A 3 4.806 -14.070 -19.674 1.00 0.00 O ATOM 40 CB ILE A 3 5.316 -10.698 -19.716 1.00 0.00 C ATOM 41 CG1 ILE A 3 6.039 -11.112 -21.017 1.00 0.00 C ATOM 42 CG2 ILE A 3 6.241 -10.037 -18.675 1.00 0.00 C ATOM 43 CD1 ILE A 3 7.276 -12.019 -20.926 1.00 0.00 C ATOM 0 H ILE A 3 4.336 -10.763 -17.278 1.00 0.00 H new ATOM 0 HA ILE A 3 3.603 -11.959 -19.904 1.00 0.00 H new ATOM 0 HB ILE A 3 4.642 -9.902 -20.031 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.310 -11.613 -21.653 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.338 -10.199 -21.532 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.881 -9.306 -19.169 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.637 -9.538 -17.917 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.860 -10.800 -18.202 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.660 -12.212 -21.928 1.00 0.00 H new ATOM 0 HD12 ILE A 3 8.045 -11.527 -20.331 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.001 -12.963 -20.454 1.00 0.00 H new ATOM 55 N ARG A 4 5.554 -13.269 -17.697 1.00 0.00 N ATOM 56 CA ARG A 4 6.272 -14.471 -17.222 1.00 0.00 C ATOM 57 C ARG A 4 6.453 -14.497 -15.697 1.00 0.00 C ATOM 58 O ARG A 4 6.055 -15.443 -15.028 1.00 0.00 O ATOM 59 CB ARG A 4 7.611 -14.624 -17.969 1.00 0.00 C ATOM 60 CG ARG A 4 8.586 -13.438 -17.906 1.00 0.00 C ATOM 61 CD ARG A 4 9.507 -13.524 -16.694 1.00 0.00 C ATOM 62 NE ARG A 4 10.858 -13.148 -17.110 1.00 0.00 N ATOM 63 CZ ARG A 4 11.959 -13.253 -16.366 1.00 0.00 C ATOM 64 NH1 ARG A 4 11.922 -13.669 -15.107 1.00 0.00 N ATOM 65 NH2 ARG A 4 13.128 -12.944 -16.899 1.00 0.00 N ATOM 0 H ARG A 4 5.544 -12.517 -17.008 1.00 0.00 H new ATOM 0 HA ARG A 4 5.650 -15.336 -17.454 1.00 0.00 H new ATOM 0 HB2 ARG A 4 8.121 -15.503 -17.574 1.00 0.00 H new ATOM 0 HB3 ARG A 4 7.392 -14.827 -19.017 1.00 0.00 H new ATOM 0 HG2 ARG A 4 9.185 -13.412 -18.816 1.00 0.00 H new ATOM 0 HG3 ARG A 4 8.022 -12.506 -17.868 1.00 0.00 H new ATOM 0 HD2 ARG A 4 9.156 -12.861 -15.904 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.504 -14.535 -16.287 1.00 0.00 H new ATOM 0 HE ARG A 4 10.967 -12.773 -18.052 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.031 -13.921 -14.679 1.00 0.00 H new ATOM 0 HH12 ARG A 4 12.785 -13.737 -14.567 1.00 0.00 H new ATOM 0 HH21 ARG A 4 13.180 -12.630 -17.868 1.00 0.00 H new ATOM 0 HH22 ARG A 4 13.979 -13.020 -16.341 1.00 0.00 H new ATOM 79 N VAL A 5 6.852 -13.343 -15.163 1.00 0.00 N ATOM 80 CA VAL A 5 7.036 -13.109 -13.715 1.00 0.00 C ATOM 81 C VAL A 5 5.691 -12.848 -13.010 1.00 0.00 C ATOM 82 O VAL A 5 5.569 -13.008 -11.801 1.00 0.00 O ATOM 83 CB VAL A 5 8.102 -12.006 -13.493 1.00 0.00 C ATOM 84 CG1 VAL A 5 7.776 -10.676 -14.184 1.00 0.00 C ATOM 85 CG2 VAL A 5 8.425 -11.776 -12.013 1.00 0.00 C ATOM 0 H VAL A 5 7.063 -12.522 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 5 7.423 -14.012 -13.242 1.00 0.00 H new ATOM 0 HB VAL A 5 8.996 -12.402 -13.975 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.569 -9.956 -13.981 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.697 -10.835 -15.259 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.830 -10.290 -13.803 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.177 -10.993 -11.922 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.520 -11.473 -11.486 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.807 -12.699 -11.576 1.00 0.00 H new ATOM 95 N ALA A 6 4.699 -12.466 -13.814 1.00 0.00 N ATOM 96 CA ALA A 6 3.353 -12.029 -13.397 1.00 0.00 C ATOM 97 C ALA A 6 3.380 -10.688 -12.646 1.00 0.00 C ATOM 98 O ALA A 6 2.483 -10.392 -11.864 1.00 0.00 O ATOM 99 CB ALA A 6 2.614 -13.129 -12.613 1.00 0.00 C ATOM 0 H ALA A 6 4.811 -12.450 -14.828 1.00 0.00 H new ATOM 0 HA ALA A 6 2.780 -11.853 -14.307 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.627 -12.769 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.508 -14.014 -13.240 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.184 -13.384 -11.719 1.00 0.00 H new ATOM 105 N ILE A 7 4.322 -9.826 -13.053 1.00 0.00 N ATOM 106 CA ILE A 7 4.617 -8.510 -12.444 1.00 0.00 C ATOM 107 C ILE A 7 4.250 -8.498 -10.946 1.00 0.00 C ATOM 108 O ILE A 7 3.188 -8.046 -10.519 1.00 0.00 O ATOM 109 CB ILE A 7 3.983 -7.374 -13.288 1.00 0.00 C ATOM 110 CG1 ILE A 7 4.634 -5.993 -13.065 1.00 0.00 C ATOM 111 CG2 ILE A 7 2.445 -7.345 -13.256 1.00 0.00 C ATOM 112 CD1 ILE A 7 4.613 -5.368 -11.661 1.00 0.00 C ATOM 0 H ILE A 7 4.928 -10.030 -13.848 1.00 0.00 H new ATOM 0 HA ILE A 7 5.690 -8.321 -12.464 1.00 0.00 H new ATOM 0 HB ILE A 7 4.228 -7.637 -14.317 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.677 -6.069 -13.374 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.151 -5.290 -13.744 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.084 -6.521 -13.872 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.055 -8.286 -13.644 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.105 -7.207 -12.230 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.113 -4.400 -11.686 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.581 -5.235 -11.337 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.130 -6.026 -10.962 1.00 0.00 H new ATOM 124 N LEU A 8 5.089 -9.185 -10.183 1.00 0.00 N ATOM 125 CA LEU A 8 4.891 -9.294 -8.728 1.00 0.00 C ATOM 126 C LEU A 8 4.549 -7.946 -8.083 1.00 0.00 C ATOM 127 O LEU A 8 5.021 -6.886 -8.497 1.00 0.00 O ATOM 128 CB LEU A 8 6.154 -9.876 -8.092 1.00 0.00 C ATOM 129 CG LEU A 8 6.080 -11.348 -7.680 1.00 0.00 C ATOM 130 CD1 LEU A 8 5.028 -11.519 -6.592 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.841 -12.285 -8.864 1.00 0.00 C ATOM 0 H LEU A 8 5.911 -9.675 -10.536 1.00 0.00 H new ATOM 0 HA LEU A 8 4.041 -9.954 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.979 -9.757 -8.795 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.399 -9.284 -7.210 1.00 0.00 H new ATOM 0 HG LEU A 8 7.052 -11.636 -7.279 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.975 -12.567 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.297 -10.913 -5.727 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.057 -11.199 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.798 -13.315 -8.510 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.898 -12.028 -9.347 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.656 -12.181 -9.580 1.00 0.00 H new ATOM 143 N TRP A 9 3.737 -8.034 -7.039 1.00 0.00 N ATOM 144 CA TRP A 9 3.296 -6.824 -6.333 1.00 0.00 C ATOM 145 C TRP A 9 4.328 -6.320 -5.335 1.00 0.00 C ATOM 146 O TRP A 9 4.707 -5.174 -5.458 1.00 0.00 O ATOM 147 CB TRP A 9 1.947 -6.978 -5.653 1.00 0.00 C ATOM 148 CG TRP A 9 0.774 -7.142 -6.615 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.709 -6.787 -7.900 1.00 0.00 C ATOM 150 CD2 TRP A 9 -0.375 -7.824 -6.304 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.429 -7.246 -8.410 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.112 -7.906 -7.490 1.00 0.00 C ATOM 153 CE3 TRP A 9 -0.826 -8.431 -5.146 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -2.294 -8.627 -7.498 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -2.030 -9.111 -5.155 1.00 0.00 C ATOM 156 CH2 TRP A 9 -2.763 -9.217 -6.335 1.00 0.00 C ATOM 0 H TRP A 9 3.372 -8.909 -6.662 1.00 0.00 H new ATOM 0 HA TRP A 9 3.182 -6.076 -7.118 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.983 -7.844 -4.992 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.768 -6.105 -5.025 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.457 -6.221 -8.436 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.733 -7.109 -9.374 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -0.241 -8.374 -4.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.854 -8.730 -8.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -2.403 -9.560 -4.246 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -3.697 -9.759 -6.343 1.00 0.00 H new ATOM 167 N HIS A 10 4.987 -7.233 -4.613 1.00 0.00 N ATOM 168 CA HIS A 10 6.102 -6.909 -3.691 1.00 0.00 C ATOM 169 C HIS A 10 7.172 -6.005 -4.346 1.00 0.00 C ATOM 170 O HIS A 10 7.601 -5.024 -3.751 1.00 0.00 O ATOM 171 CB HIS A 10 6.652 -8.245 -3.166 1.00 0.00 C ATOM 172 CG HIS A 10 8.182 -8.362 -2.974 1.00 0.00 C ATOM 173 ND1 HIS A 10 8.838 -8.507 -1.831 1.00 0.00 N ATOM 174 CD2 HIS A 10 9.062 -8.419 -3.960 1.00 0.00 C ATOM 175 CE1 HIS A 10 10.137 -8.639 -2.124 1.00 0.00 C ATOM 176 NE2 HIS A 10 10.271 -8.586 -3.440 1.00 0.00 N ATOM 0 H HIS A 10 4.766 -8.228 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 10 5.747 -6.310 -2.852 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.176 -8.451 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 10 6.338 -9.031 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.834 -8.342 -5.013 1.00 0.00 H new ATOM 0 HE1 HIS A 10 10.938 -8.767 -1.410 1.00 0.00 H new ATOM 0 HE2 HIS A 10 11.145 -8.660 -3.960 1.00 0.00 H new ATOM 184 N GLU A 11 7.368 -6.235 -5.646 1.00 0.00 N ATOM 185 CA GLU A 11 8.338 -5.521 -6.501 1.00 0.00 C ATOM 186 C GLU A 11 7.934 -4.044 -6.643 1.00 0.00 C ATOM 187 O GLU A 11 8.635 -3.144 -6.183 1.00 0.00 O ATOM 188 CB GLU A 11 8.374 -6.184 -7.886 1.00 0.00 C ATOM 189 CG GLU A 11 8.734 -7.672 -7.842 1.00 0.00 C ATOM 190 CD GLU A 11 10.222 -7.962 -7.653 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.679 -7.896 -6.499 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.851 -8.281 -8.685 1.00 0.00 O ATOM 0 H GLU A 11 6.842 -6.945 -6.156 1.00 0.00 H new ATOM 0 HA GLU A 11 9.326 -5.571 -6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.400 -6.068 -8.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.098 -5.662 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.180 -8.142 -7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.401 -8.140 -8.768 1.00 0.00 H new ATOM 199 N MET A 12 6.683 -3.845 -7.061 1.00 0.00 N ATOM 200 CA MET A 12 6.085 -2.505 -7.177 1.00 0.00 C ATOM 201 C MET A 12 5.711 -1.919 -5.803 1.00 0.00 C ATOM 202 O MET A 12 5.443 -0.733 -5.727 1.00 0.00 O ATOM 203 CB MET A 12 4.877 -2.520 -8.127 1.00 0.00 C ATOM 204 CG MET A 12 3.587 -3.089 -7.522 1.00 0.00 C ATOM 205 SD MET A 12 2.169 -3.186 -8.673 1.00 0.00 S ATOM 206 CE MET A 12 1.959 -1.498 -9.202 1.00 0.00 C ATOM 0 H MET A 12 6.054 -4.602 -7.329 1.00 0.00 H new ATOM 0 HA MET A 12 6.842 -1.849 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.685 -1.501 -8.463 1.00 0.00 H new ATOM 0 HB3 MET A 12 5.135 -3.104 -9.011 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.793 -4.088 -7.139 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.301 -2.473 -6.669 1.00 0.00 H new ATOM 0 HE1 MET A 12 0.898 -1.249 -9.210 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.483 -0.834 -8.515 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.368 -1.378 -10.205 1.00 0.00 H new ATOM 216 N TRP A 13 5.526 -2.772 -4.798 1.00 0.00 N ATOM 217 CA TRP A 13 5.162 -2.411 -3.418 1.00 0.00 C ATOM 218 C TRP A 13 6.350 -1.821 -2.662 1.00 0.00 C ATOM 219 O TRP A 13 6.209 -0.739 -2.112 1.00 0.00 O ATOM 220 CB TRP A 13 4.569 -3.596 -2.641 1.00 0.00 C ATOM 221 CG TRP A 13 3.033 -3.547 -2.534 1.00 0.00 C ATOM 222 CD1 TRP A 13 2.282 -2.458 -2.351 1.00 0.00 C ATOM 223 CD2 TRP A 13 2.181 -4.632 -2.494 1.00 0.00 C ATOM 224 NE1 TRP A 13 1.010 -2.814 -2.206 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.890 -4.126 -2.285 1.00 0.00 C ATOM 226 CE3 TRP A 13 2.360 -5.993 -2.614 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.183 -4.998 -2.216 1.00 0.00 C ATOM 228 CZ3 TRP A 13 1.294 -6.870 -2.508 1.00 0.00 C ATOM 229 CH2 TRP A 13 0.008 -6.366 -2.320 1.00 0.00 C ATOM 0 H TRP A 13 5.629 -3.779 -4.922 1.00 0.00 H new ATOM 0 HA TRP A 13 4.388 -1.648 -3.495 1.00 0.00 H new ATOM 0 HB2 TRP A 13 4.863 -4.525 -3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.996 -3.614 -1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.652 -1.444 -2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.237 -2.166 -2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.351 -6.383 -2.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.181 -4.607 -2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.457 -7.936 -2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.835 -7.038 -2.256 1.00 0.00 H new ATOM 240 N HIS A 14 7.545 -2.353 -2.910 1.00 0.00 N ATOM 241 CA HIS A 14 8.797 -1.812 -2.344 1.00 0.00 C ATOM 242 C HIS A 14 8.964 -0.306 -2.587 1.00 0.00 C ATOM 243 O HIS A 14 8.914 0.501 -1.660 1.00 0.00 O ATOM 244 CB HIS A 14 9.990 -2.551 -2.950 1.00 0.00 C ATOM 245 CG HIS A 14 10.401 -3.737 -2.086 1.00 0.00 C ATOM 246 ND1 HIS A 14 10.894 -4.877 -2.546 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.539 -3.711 -0.764 1.00 0.00 C ATOM 248 CE1 HIS A 14 11.366 -5.557 -1.504 1.00 0.00 C ATOM 249 NE2 HIS A 14 11.133 -4.838 -0.421 1.00 0.00 N ATOM 0 H HIS A 14 7.682 -3.169 -3.506 1.00 0.00 H new ATOM 0 HA HIS A 14 8.749 -1.963 -1.266 1.00 0.00 H new ATOM 0 HB2 HIS A 14 9.735 -2.898 -3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.831 -1.865 -3.055 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.225 -2.920 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 14 11.851 -6.521 -1.538 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.374 -5.111 0.532 1.00 0.00 H new ATOM 257 N GLU A 15 8.830 0.039 -3.864 1.00 0.00 N ATOM 258 CA GLU A 15 8.908 1.432 -4.331 1.00 0.00 C ATOM 259 C GLU A 15 7.557 2.146 -4.322 1.00 0.00 C ATOM 260 O GLU A 15 7.501 3.293 -3.906 1.00 0.00 O ATOM 261 CB GLU A 15 9.522 1.486 -5.725 1.00 0.00 C ATOM 262 CG GLU A 15 11.031 1.740 -5.659 1.00 0.00 C ATOM 263 CD GLU A 15 11.357 3.224 -5.866 1.00 0.00 C ATOM 264 OE1 GLU A 15 11.026 3.722 -6.964 1.00 0.00 O ATOM 265 OE2 GLU A 15 11.884 3.838 -4.914 1.00 0.00 O ATOM 0 H GLU A 15 8.664 -0.636 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 15 9.546 1.963 -3.625 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.331 0.547 -6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.043 2.275 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.415 1.413 -4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.535 1.145 -6.420 1.00 0.00 H new ATOM 272 N GLY A 16 6.476 1.458 -4.684 1.00 0.00 N ATOM 273 CA GLY A 16 5.109 2.015 -4.617 1.00 0.00 C ATOM 274 C GLY A 16 4.720 2.453 -3.202 1.00 0.00 C ATOM 275 O GLY A 16 3.944 3.389 -3.049 1.00 0.00 O ATOM 0 H GLY A 16 6.513 0.500 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.035 2.869 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.398 1.268 -4.970 1.00 0.00 H new ATOM 279 N LEU A 17 5.282 1.786 -2.197 1.00 0.00 N ATOM 280 CA LEU A 17 5.181 2.200 -0.792 1.00 0.00 C ATOM 281 C LEU A 17 6.209 3.262 -0.411 1.00 0.00 C ATOM 282 O LEU A 17 5.796 4.220 0.211 1.00 0.00 O ATOM 283 CB LEU A 17 5.203 1.011 0.168 1.00 0.00 C ATOM 284 CG LEU A 17 3.791 0.426 0.245 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.822 -1.095 0.259 1.00 0.00 C ATOM 286 CD2 LEU A 17 3.108 0.900 1.523 1.00 0.00 C ATOM 0 H LEU A 17 5.827 0.934 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 17 4.203 2.671 -0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.908 0.256 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.537 1.328 1.156 1.00 0.00 H new ATOM 0 HG LEU A 17 3.244 0.765 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.803 -1.479 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.298 -1.458 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.387 -1.439 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.103 0.482 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.684 0.569 2.387 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.049 1.988 1.522 1.00 0.00 H new ATOM 298 N GLU A 18 7.371 3.281 -1.062 1.00 0.00 N ATOM 299 CA GLU A 18 8.406 4.315 -0.848 1.00 0.00 C ATOM 300 C GLU A 18 8.037 5.653 -1.508 1.00 0.00 C ATOM 301 O GLU A 18 7.799 6.619 -0.793 1.00 0.00 O ATOM 302 CB GLU A 18 9.789 3.822 -1.292 1.00 0.00 C ATOM 303 CG GLU A 18 10.856 4.896 -1.052 1.00 0.00 C ATOM 304 CD GLU A 18 12.223 4.291 -0.749 1.00 0.00 C ATOM 305 OE1 GLU A 18 12.405 3.916 0.427 1.00 0.00 O ATOM 306 OE2 GLU A 18 13.047 4.229 -1.683 1.00 0.00 O ATOM 0 H GLU A 18 7.631 2.581 -1.757 1.00 0.00 H new ATOM 0 HA GLU A 18 8.454 4.502 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.050 2.916 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.763 3.559 -2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.930 5.535 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.549 5.531 -0.221 1.00 0.00 H new ATOM 313 N GLU A 19 7.796 5.634 -2.817 1.00 0.00 N ATOM 314 CA GLU A 19 7.356 6.791 -3.618 1.00 0.00 C ATOM 315 C GLU A 19 6.031 7.370 -3.089 1.00 0.00 C ATOM 316 O GLU A 19 5.738 8.536 -3.302 1.00 0.00 O ATOM 317 CB GLU A 19 7.263 6.381 -5.100 1.00 0.00 C ATOM 318 CG GLU A 19 6.810 7.500 -6.053 1.00 0.00 C ATOM 319 CD GLU A 19 7.598 8.808 -5.894 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.846 8.740 -5.909 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.925 9.855 -5.801 1.00 0.00 O ATOM 0 H GLU A 19 7.903 4.787 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 19 8.093 7.590 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.239 6.020 -5.424 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.569 5.545 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.908 7.151 -7.081 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.752 7.702 -5.884 1.00 0.00 H new ATOM 328 N ALA A 20 5.260 6.544 -2.383 1.00 0.00 N ATOM 329 CA ALA A 20 4.045 6.988 -1.682 1.00 0.00 C ATOM 330 C ALA A 20 4.325 7.491 -0.265 1.00 0.00 C ATOM 331 O ALA A 20 4.173 8.676 0.013 1.00 0.00 O ATOM 332 CB ALA A 20 3.026 5.863 -1.604 1.00 0.00 C ATOM 0 H ALA A 20 5.455 5.548 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 20 3.651 7.819 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.136 6.214 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.755 5.547 -2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.456 5.020 -1.063 1.00 0.00 H new ATOM 338 N SER A 21 4.864 6.617 0.578 1.00 0.00 N ATOM 339 CA SER A 21 5.235 6.937 1.969 1.00 0.00 C ATOM 340 C SER A 21 6.115 8.184 2.035 1.00 0.00 C ATOM 341 O SER A 21 5.887 8.963 2.937 1.00 0.00 O ATOM 342 CB SER A 21 5.947 5.799 2.716 1.00 0.00 C ATOM 343 OG SER A 21 7.280 5.595 2.226 1.00 0.00 O ATOM 0 H SER A 21 5.062 5.650 0.319 1.00 0.00 H new ATOM 0 HA SER A 21 4.282 7.108 2.469 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.982 6.029 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.374 4.878 2.607 1.00 0.00 H new ATOM 0 HG SER A 21 7.351 5.946 1.314 1.00 0.00 H new ATOM 349 N ARG A 22 6.877 8.476 0.979 1.00 0.00 N ATOM 350 CA ARG A 22 7.719 9.681 0.849 1.00 0.00 C ATOM 351 C ARG A 22 6.890 10.962 0.640 1.00 0.00 C ATOM 352 O ARG A 22 7.088 11.937 1.370 1.00 0.00 O ATOM 353 CB ARG A 22 8.735 9.475 -0.279 1.00 0.00 C ATOM 354 CG ARG A 22 9.613 10.709 -0.473 1.00 0.00 C ATOM 355 CD ARG A 22 10.726 10.499 -1.501 1.00 0.00 C ATOM 356 NE ARG A 22 12.003 10.188 -0.835 1.00 0.00 N ATOM 357 CZ ARG A 22 12.695 10.985 -0.006 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.253 12.181 0.363 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.850 10.575 0.492 1.00 0.00 N ATOM 0 H ARG A 22 6.931 7.866 0.163 1.00 0.00 H new ATOM 0 HA ARG A 22 8.253 9.824 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.362 8.613 -0.052 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.209 9.251 -1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.989 11.545 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.057 10.985 0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.455 9.687 -2.175 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.838 11.396 -2.111 1.00 0.00 H new ATOM 0 HE ARG A 22 12.404 9.269 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.358 12.524 0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.809 12.757 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.213 9.654 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.377 11.180 1.122 1.00 0.00 H new ATOM 373 N LEU A 23 5.849 10.858 -0.189 1.00 0.00 N ATOM 374 CA LEU A 23 4.879 11.949 -0.426 1.00 0.00 C ATOM 375 C LEU A 23 4.131 12.378 0.849 1.00 0.00 C ATOM 376 O LEU A 23 3.667 13.509 0.977 1.00 0.00 O ATOM 377 CB LEU A 23 3.899 11.600 -1.555 1.00 0.00 C ATOM 378 CG LEU A 23 4.280 12.044 -2.981 1.00 0.00 C ATOM 379 CD1 LEU A 23 4.329 13.562 -3.121 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.616 11.482 -3.454 1.00 0.00 C ATOM 0 H LEU A 23 5.647 10.012 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 23 5.467 12.810 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.764 10.518 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.932 12.040 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 23 3.487 11.638 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.602 13.825 -4.143 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.350 13.981 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.070 13.967 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.822 11.834 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.409 11.816 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.574 10.393 -3.451 1.00 0.00 H new ATOM 392 N TYR A 24 4.185 11.501 1.844 1.00 0.00 N ATOM 393 CA TYR A 24 3.693 11.753 3.205 1.00 0.00 C ATOM 394 C TYR A 24 4.834 12.039 4.203 1.00 0.00 C ATOM 395 O TYR A 24 4.735 12.989 4.977 1.00 0.00 O ATOM 396 CB TYR A 24 2.913 10.500 3.608 1.00 0.00 C ATOM 397 CG TYR A 24 2.509 10.470 5.074 1.00 0.00 C ATOM 398 CD1 TYR A 24 3.480 10.176 6.029 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.227 10.806 5.482 1.00 0.00 C ATOM 400 CE1 TYR A 24 3.194 10.279 7.365 1.00 0.00 C ATOM 401 CE2 TYR A 24 0.918 10.842 6.830 1.00 0.00 C ATOM 402 CZ TYR A 24 1.906 10.604 7.779 1.00 0.00 C ATOM 403 OH TYR A 24 1.590 10.609 9.091 1.00 0.00 O ATOM 0 H TYR A 24 4.582 10.568 1.730 1.00 0.00 H new ATOM 0 HA TYR A 24 3.067 12.645 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.016 10.429 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.519 9.621 3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.465 9.865 5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.470 11.039 4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.969 10.108 8.097 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -0.093 11.055 7.146 1.00 0.00 H new ATOM 0 HH TYR A 24 1.638 9.696 9.443 1.00 0.00 H new ATOM 413 N PHE A 25 5.893 11.230 4.147 1.00 0.00 N ATOM 414 CA PHE A 25 7.034 11.170 5.085 1.00 0.00 C ATOM 415 C PHE A 25 7.546 12.577 5.410 1.00 0.00 C ATOM 416 O PHE A 25 7.775 12.920 6.565 1.00 0.00 O ATOM 417 CB PHE A 25 8.150 10.330 4.429 1.00 0.00 C ATOM 418 CG PHE A 25 9.448 10.219 5.226 1.00 0.00 C ATOM 419 CD1 PHE A 25 10.276 11.336 5.358 1.00 0.00 C ATOM 420 CD2 PHE A 25 9.816 9.022 5.839 1.00 0.00 C ATOM 421 CE1 PHE A 25 11.420 11.276 6.124 1.00 0.00 C ATOM 422 CE2 PHE A 25 10.972 8.956 6.592 1.00 0.00 C ATOM 423 CZ PHE A 25 11.779 10.091 6.747 1.00 0.00 C ATOM 0 H PHE A 25 5.991 10.548 3.395 1.00 0.00 H new ATOM 0 HA PHE A 25 6.718 10.712 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.767 9.325 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.379 10.761 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.017 12.256 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.196 8.145 5.725 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.038 12.154 6.239 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.255 8.026 7.063 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.675 10.043 7.348 1.00 0.00 H new ATOM 433 N GLY A 26 7.688 13.342 4.325 1.00 0.00 N ATOM 434 CA GLY A 26 8.160 14.734 4.387 1.00 0.00 C ATOM 435 C GLY A 26 7.891 15.491 3.086 1.00 0.00 C ATOM 436 O GLY A 26 8.724 16.265 2.630 1.00 0.00 O ATOM 0 H GLY A 26 7.481 13.019 3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.667 15.247 5.213 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.229 14.745 4.598 1.00 0.00 H new ATOM 440 N GLU A 27 6.755 15.186 2.467 1.00 0.00 N ATOM 441 CA GLU A 27 6.323 15.908 1.257 1.00 0.00 C ATOM 442 C GLU A 27 4.979 16.626 1.425 1.00 0.00 C ATOM 443 O GLU A 27 4.549 17.329 0.511 1.00 0.00 O ATOM 444 CB GLU A 27 6.288 14.926 0.094 1.00 0.00 C ATOM 445 CG GLU A 27 7.108 15.396 -1.107 1.00 0.00 C ATOM 446 CD GLU A 27 8.027 14.297 -1.655 1.00 0.00 C ATOM 447 OE1 GLU A 27 7.694 13.099 -1.512 1.00 0.00 O ATOM 448 OE2 GLU A 27 9.065 14.686 -2.230 1.00 0.00 O ATOM 0 H GLU A 27 6.116 14.452 2.773 1.00 0.00 H new ATOM 0 HA GLU A 27 7.044 16.701 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.665 13.960 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.254 14.774 -0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.433 15.728 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.709 16.258 -0.818 1.00 0.00 H new ATOM 455 N ARG A 28 4.305 16.368 2.554 1.00 0.00 N ATOM 456 CA ARG A 28 3.005 16.966 2.927 1.00 0.00 C ATOM 457 C ARG A 28 1.979 16.893 1.775 1.00 0.00 C ATOM 458 O ARG A 28 1.131 17.758 1.568 1.00 0.00 O ATOM 459 CB ARG A 28 3.284 18.397 3.396 1.00 0.00 C ATOM 460 CG ARG A 28 2.363 18.824 4.538 1.00 0.00 C ATOM 461 CD ARG A 28 3.172 19.537 5.628 1.00 0.00 C ATOM 462 NE ARG A 28 4.037 18.584 6.353 1.00 0.00 N ATOM 463 CZ ARG A 28 3.664 17.766 7.347 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.419 17.756 7.806 1.00 0.00 N ATOM 465 NH2 ARG A 28 4.540 16.953 7.912 1.00 0.00 N ATOM 0 H ARG A 28 4.656 15.718 3.258 1.00 0.00 H new ATOM 0 HA ARG A 28 2.541 16.402 3.736 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.322 18.474 3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.161 19.082 2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.585 19.487 4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.862 17.951 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.783 20.320 5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.494 20.025 6.329 1.00 0.00 H new ATOM 0 HE ARG A 28 5.016 18.545 6.069 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.721 18.380 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.160 17.124 8.563 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.508 16.945 7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.247 16.334 8.668 1.00 0.00 H new ATOM 479 N ASN A 29 2.094 15.798 1.032 1.00 0.00 N ATOM 480 CA ASN A 29 1.328 15.558 -0.193 1.00 0.00 C ATOM 481 C ASN A 29 0.725 14.153 -0.109 1.00 0.00 C ATOM 482 O ASN A 29 1.066 13.195 -0.804 1.00 0.00 O ATOM 483 CB ASN A 29 2.277 15.715 -1.378 1.00 0.00 C ATOM 484 CG ASN A 29 1.513 16.164 -2.616 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.736 15.441 -3.220 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.606 17.436 -2.902 1.00 0.00 N ATOM 0 H ASN A 29 2.732 15.037 1.265 1.00 0.00 H new ATOM 0 HA ASN A 29 0.510 16.267 -0.318 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.052 16.443 -1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.780 14.769 -1.577 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.025 17.837 -3.638 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.260 18.028 -2.389 1.00 0.00 H new ATOM 493 N VAL A 30 -0.245 14.103 0.791 1.00 0.00 N ATOM 494 CA VAL A 30 -1.032 12.891 1.067 1.00 0.00 C ATOM 495 C VAL A 30 -1.829 12.482 -0.188 1.00 0.00 C ATOM 496 O VAL A 30 -1.754 11.339 -0.626 1.00 0.00 O ATOM 497 CB VAL A 30 -1.912 13.170 2.293 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.916 12.045 2.506 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.063 13.310 3.561 1.00 0.00 C ATOM 0 H VAL A 30 -0.517 14.905 1.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.393 12.039 1.300 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.440 14.105 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.529 12.265 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.556 11.957 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.383 11.107 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.713 13.507 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.510 12.387 3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.362 14.136 3.440 1.00 0.00 H new ATOM 509 N LYS A 31 -2.429 13.483 -0.830 1.00 0.00 N ATOM 510 CA LYS A 31 -3.113 13.319 -2.129 1.00 0.00 C ATOM 511 C LYS A 31 -2.172 12.722 -3.202 1.00 0.00 C ATOM 512 O LYS A 31 -2.595 11.893 -4.007 1.00 0.00 O ATOM 513 CB LYS A 31 -3.691 14.690 -2.517 1.00 0.00 C ATOM 514 CG LYS A 31 -4.597 14.679 -3.754 1.00 0.00 C ATOM 515 CD LYS A 31 -3.821 14.751 -5.072 1.00 0.00 C ATOM 516 CE LYS A 31 -3.943 16.122 -5.735 1.00 0.00 C ATOM 517 NZ LYS A 31 -3.245 16.110 -7.026 1.00 0.00 N ATOM 0 H LYS A 31 -2.459 14.437 -0.470 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.926 12.598 -2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -4.258 15.082 -1.672 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.866 15.380 -2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.202 13.772 -3.745 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.286 15.522 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.770 14.531 -4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.192 13.985 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.993 16.374 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.518 16.889 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.330 17.044 -7.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.240 15.888 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.670 15.389 -7.644 1.00 0.00 H new ATOM 531 N GLY A 32 -0.872 13.028 -3.081 1.00 0.00 N ATOM 532 CA GLY A 32 0.189 12.536 -3.985 1.00 0.00 C ATOM 533 C GLY A 32 0.474 11.046 -3.794 1.00 0.00 C ATOM 534 O GLY A 32 0.260 10.249 -4.707 1.00 0.00 O ATOM 0 H GLY A 32 -0.518 13.634 -2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.106 12.717 -5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.103 13.103 -3.810 1.00 0.00 H new ATOM 538 N MET A 33 0.802 10.660 -2.563 1.00 0.00 N ATOM 539 CA MET A 33 1.031 9.237 -2.229 1.00 0.00 C ATOM 540 C MET A 33 -0.176 8.338 -2.524 1.00 0.00 C ATOM 541 O MET A 33 -0.040 7.196 -2.959 1.00 0.00 O ATOM 542 CB MET A 33 1.424 9.056 -0.769 1.00 0.00 C ATOM 543 CG MET A 33 0.365 9.327 0.285 1.00 0.00 C ATOM 544 SD MET A 33 0.824 8.504 1.840 1.00 0.00 S ATOM 545 CE MET A 33 -0.512 9.219 2.752 1.00 0.00 C ATOM 0 H MET A 33 0.917 11.300 -1.778 1.00 0.00 H new ATOM 0 HA MET A 33 1.851 8.929 -2.878 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.772 8.031 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.273 9.708 -0.567 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.265 10.400 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.604 8.964 -0.058 1.00 0.00 H new ATOM 0 HE1 MET A 33 -0.674 8.649 3.667 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.268 10.251 3.005 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.418 9.198 2.146 1.00 0.00 H new ATOM 555 N PHE A 34 -1.340 8.969 -2.419 1.00 0.00 N ATOM 556 CA PHE A 34 -2.643 8.363 -2.698 1.00 0.00 C ATOM 557 C PHE A 34 -2.811 8.017 -4.180 1.00 0.00 C ATOM 558 O PHE A 34 -3.648 7.177 -4.480 1.00 0.00 O ATOM 559 CB PHE A 34 -3.743 9.328 -2.259 1.00 0.00 C ATOM 560 CG PHE A 34 -4.694 8.629 -1.300 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.782 7.914 -1.791 1.00 0.00 C ATOM 562 CD2 PHE A 34 -4.477 8.707 0.075 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.651 7.286 -0.926 1.00 0.00 C ATOM 564 CE2 PHE A 34 -5.355 8.079 0.939 1.00 0.00 C ATOM 565 CZ PHE A 34 -6.442 7.367 0.456 1.00 0.00 C ATOM 0 H PHE A 34 -1.409 9.945 -2.129 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.712 7.429 -2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.302 10.200 -1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.291 9.689 -3.130 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.946 7.851 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.630 9.254 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.493 6.732 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.192 8.144 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.121 6.879 1.139 1.00 0.00 H new ATOM 575 N GLU A 35 -2.010 8.629 -5.053 1.00 0.00 N ATOM 576 CA GLU A 35 -1.998 8.392 -6.510 1.00 0.00 C ATOM 577 C GLU A 35 -1.125 7.184 -6.890 1.00 0.00 C ATOM 578 O GLU A 35 -1.562 6.346 -7.669 1.00 0.00 O ATOM 579 CB GLU A 35 -1.456 9.637 -7.219 1.00 0.00 C ATOM 580 CG GLU A 35 -1.818 9.693 -8.708 1.00 0.00 C ATOM 581 CD GLU A 35 -3.197 10.317 -8.934 1.00 0.00 C ATOM 582 OE1 GLU A 35 -3.386 11.464 -8.471 1.00 0.00 O ATOM 583 OE2 GLU A 35 -4.027 9.646 -9.585 1.00 0.00 O ATOM 0 H GLU A 35 -1.326 9.328 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.021 8.181 -6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.845 10.527 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.371 9.663 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.065 10.271 -9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.802 8.686 -9.124 1.00 0.00 H new ATOM 590 N VAL A 36 0.064 7.076 -6.297 1.00 0.00 N ATOM 591 CA VAL A 36 0.984 5.937 -6.540 1.00 0.00 C ATOM 592 C VAL A 36 0.542 4.666 -5.786 1.00 0.00 C ATOM 593 O VAL A 36 0.678 3.549 -6.281 1.00 0.00 O ATOM 594 CB VAL A 36 2.449 6.362 -6.300 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.692 6.894 -4.891 1.00 0.00 C ATOM 596 CG2 VAL A 36 3.457 5.260 -6.644 1.00 0.00 C ATOM 0 H VAL A 36 0.426 7.764 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 36 0.929 5.653 -7.591 1.00 0.00 H new ATOM 0 HB VAL A 36 2.617 7.186 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.739 7.176 -4.784 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.062 7.766 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.449 6.120 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.468 5.620 -6.454 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.262 4.383 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.359 4.992 -7.696 1.00 0.00 H new ATOM 606 N LEU A 37 -0.130 4.891 -4.660 1.00 0.00 N ATOM 607 CA LEU A 37 -0.747 3.823 -3.866 1.00 0.00 C ATOM 608 C LEU A 37 -2.190 3.522 -4.306 1.00 0.00 C ATOM 609 O LEU A 37 -2.639 2.392 -4.171 1.00 0.00 O ATOM 610 CB LEU A 37 -0.668 4.178 -2.383 1.00 0.00 C ATOM 611 CG LEU A 37 -0.209 2.959 -1.584 1.00 0.00 C ATOM 612 CD1 LEU A 37 1.256 3.035 -1.169 1.00 0.00 C ATOM 613 CD2 LEU A 37 -1.071 2.829 -0.349 1.00 0.00 C ATOM 0 H LEU A 37 -0.265 5.823 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.187 2.904 -4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.026 5.005 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.643 4.512 -2.027 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.312 2.088 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.521 2.141 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.883 3.103 -2.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.413 3.916 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.751 1.961 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.971 3.727 0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.113 2.704 -0.644 1.00 0.00 H new ATOM 625 N GLU A 38 -2.785 4.423 -5.096 1.00 0.00 N ATOM 626 CA GLU A 38 -4.122 4.231 -5.708 1.00 0.00 C ATOM 627 C GLU A 38 -4.205 2.890 -6.474 1.00 0.00 C ATOM 628 O GLU A 38 -5.021 2.057 -6.065 1.00 0.00 O ATOM 629 CB GLU A 38 -4.464 5.411 -6.634 1.00 0.00 C ATOM 630 CG GLU A 38 -5.807 6.061 -6.301 1.00 0.00 C ATOM 631 CD GLU A 38 -6.855 5.723 -7.358 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.180 4.520 -7.460 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.321 6.676 -8.015 1.00 0.00 O ATOM 0 H GLU A 38 -2.355 5.316 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.857 4.196 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.676 6.161 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.481 5.062 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.148 5.720 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.686 7.142 -6.237 1.00 0.00 H new ATOM 640 N PRO A 39 -3.260 2.569 -7.383 1.00 0.00 N ATOM 641 CA PRO A 39 -3.215 1.247 -8.023 1.00 0.00 C ATOM 642 C PRO A 39 -2.735 0.139 -7.076 1.00 0.00 C ATOM 643 O PRO A 39 -3.207 -0.980 -7.213 1.00 0.00 O ATOM 644 CB PRO A 39 -2.321 1.412 -9.252 1.00 0.00 C ATOM 645 CG PRO A 39 -1.323 2.479 -8.817 1.00 0.00 C ATOM 646 CD PRO A 39 -2.167 3.400 -7.938 1.00 0.00 C ATOM 0 HA PRO A 39 -4.214 0.918 -8.310 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.823 0.479 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.892 1.727 -10.126 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.487 2.049 -8.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.902 3.010 -9.671 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.565 3.832 -7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.568 4.230 -8.519 1.00 0.00 H new ATOM 654 N LEU A 40 -2.001 0.477 -6.016 1.00 0.00 N ATOM 655 CA LEU A 40 -1.546 -0.503 -5.007 1.00 0.00 C ATOM 656 C LEU A 40 -2.672 -1.069 -4.120 1.00 0.00 C ATOM 657 O LEU A 40 -2.501 -2.101 -3.479 1.00 0.00 O ATOM 658 CB LEU A 40 -0.435 0.078 -4.124 1.00 0.00 C ATOM 659 CG LEU A 40 0.796 0.541 -4.909 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.851 0.967 -3.909 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.404 -0.561 -5.774 1.00 0.00 C ATOM 0 H LEU A 40 -1.701 1.433 -5.825 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.157 -1.339 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.834 0.921 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.130 -0.675 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 40 0.480 1.349 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.742 1.303 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.465 1.782 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.107 0.123 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.272 -0.170 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.711 -1.393 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.664 -0.907 -6.495 1.00 0.00 H new ATOM 673 N HIS A 41 -3.769 -0.321 -4.038 1.00 0.00 N ATOM 674 CA HIS A 41 -5.036 -0.773 -3.433 1.00 0.00 C ATOM 675 C HIS A 41 -5.842 -1.656 -4.396 1.00 0.00 C ATOM 676 O HIS A 41 -6.278 -2.742 -4.031 1.00 0.00 O ATOM 677 CB HIS A 41 -5.806 0.490 -3.058 1.00 0.00 C ATOM 678 CG HIS A 41 -7.335 0.418 -2.907 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.139 1.297 -3.482 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.075 -0.517 -2.322 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.395 0.889 -3.287 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.353 -0.229 -2.573 1.00 0.00 N ATOM 0 H HIS A 41 -3.812 0.634 -4.394 1.00 0.00 H new ATOM 0 HA HIS A 41 -4.847 -1.392 -2.556 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.400 0.854 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.586 1.245 -3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.709 -1.356 -1.749 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.287 1.381 -3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.159 -0.774 -2.269 1.00 0.00 H new ATOM 690 N ALA A 42 -5.964 -1.202 -5.641 1.00 0.00 N ATOM 691 CA ALA A 42 -6.732 -1.920 -6.679 1.00 0.00 C ATOM 692 C ALA A 42 -6.056 -3.245 -7.062 1.00 0.00 C ATOM 693 O ALA A 42 -6.686 -4.299 -6.982 1.00 0.00 O ATOM 694 CB ALA A 42 -6.931 -1.018 -7.898 1.00 0.00 C ATOM 0 H ALA A 42 -5.540 -0.333 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.712 -2.172 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.498 -1.554 -8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.477 -0.122 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.960 -0.734 -8.303 1.00 0.00 H new ATOM 700 N MET A 43 -4.727 -3.190 -7.164 1.00 0.00 N ATOM 701 CA MET A 43 -3.844 -4.362 -7.327 1.00 0.00 C ATOM 702 C MET A 43 -3.847 -5.313 -6.123 1.00 0.00 C ATOM 703 O MET A 43 -3.352 -6.422 -6.218 1.00 0.00 O ATOM 704 CB MET A 43 -2.399 -3.956 -7.636 1.00 0.00 C ATOM 705 CG MET A 43 -2.257 -3.501 -9.088 1.00 0.00 C ATOM 706 SD MET A 43 -0.741 -4.173 -9.858 1.00 0.00 S ATOM 707 CE MET A 43 -0.991 -3.675 -11.547 1.00 0.00 C ATOM 0 H MET A 43 -4.215 -2.309 -7.136 1.00 0.00 H new ATOM 0 HA MET A 43 -4.264 -4.900 -8.177 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.093 -3.152 -6.967 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.733 -4.798 -7.448 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.129 -3.823 -9.658 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.234 -2.412 -9.128 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.149 -4.010 -12.153 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.911 -4.121 -11.925 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.066 -2.589 -11.599 1.00 0.00 H new ATOM 717 N MET A 44 -4.447 -4.887 -5.016 1.00 0.00 N ATOM 718 CA MET A 44 -4.625 -5.733 -3.827 1.00 0.00 C ATOM 719 C MET A 44 -6.068 -6.262 -3.714 1.00 0.00 C ATOM 720 O MET A 44 -6.298 -7.393 -3.296 1.00 0.00 O ATOM 721 CB MET A 44 -4.214 -4.942 -2.579 1.00 0.00 C ATOM 722 CG MET A 44 -4.297 -5.743 -1.272 1.00 0.00 C ATOM 723 SD MET A 44 -3.105 -7.122 -1.076 1.00 0.00 S ATOM 724 CE MET A 44 -3.753 -8.443 -2.081 1.00 0.00 C ATOM 0 H MET A 44 -4.826 -3.946 -4.912 1.00 0.00 H new ATOM 0 HA MET A 44 -3.984 -6.610 -3.919 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.193 -4.585 -2.709 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.851 -4.062 -2.494 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.159 -5.052 -0.440 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.305 -6.149 -1.185 1.00 0.00 H new ATOM 0 HE1 MET A 44 -3.186 -9.355 -1.893 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.801 -8.610 -1.832 1.00 0.00 H new ATOM 0 HE3 MET A 44 -3.669 -8.174 -3.134 1.00 0.00 H new ATOM 734 N GLU A 45 -7.016 -5.501 -4.247 1.00 0.00 N ATOM 735 CA GLU A 45 -8.442 -5.847 -4.151 1.00 0.00 C ATOM 736 C GLU A 45 -8.873 -6.814 -5.258 1.00 0.00 C ATOM 737 O GLU A 45 -9.677 -7.705 -4.998 1.00 0.00 O ATOM 738 CB GLU A 45 -9.305 -4.587 -4.192 1.00 0.00 C ATOM 739 CG GLU A 45 -10.610 -4.815 -3.415 1.00 0.00 C ATOM 740 CD GLU A 45 -10.380 -5.013 -1.909 1.00 0.00 C ATOM 741 OE1 GLU A 45 -9.531 -4.285 -1.344 1.00 0.00 O ATOM 742 OE2 GLU A 45 -11.104 -5.855 -1.336 1.00 0.00 O ATOM 0 H GLU A 45 -6.829 -4.636 -4.753 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.587 -6.350 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.758 -3.748 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.529 -4.324 -5.226 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.272 -3.963 -3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.119 -5.690 -3.818 1.00 0.00 H new ATOM 749 N ARG A 46 -8.291 -6.638 -6.449 1.00 0.00 N ATOM 750 CA ARG A 46 -8.532 -7.492 -7.628 1.00 0.00 C ATOM 751 C ARG A 46 -8.537 -8.989 -7.273 1.00 0.00 C ATOM 752 O ARG A 46 -9.366 -9.748 -7.771 1.00 0.00 O ATOM 753 CB ARG A 46 -7.443 -7.194 -8.665 1.00 0.00 C ATOM 754 CG ARG A 46 -7.955 -7.445 -10.084 1.00 0.00 C ATOM 755 CD ARG A 46 -7.997 -8.923 -10.500 1.00 0.00 C ATOM 756 NE ARG A 46 -6.957 -9.218 -11.501 1.00 0.00 N ATOM 757 CZ ARG A 46 -6.857 -8.670 -12.720 1.00 0.00 C ATOM 758 NH1 ARG A 46 -7.739 -7.779 -13.157 1.00 0.00 N ATOM 759 NH2 ARG A 46 -5.870 -9.018 -13.526 1.00 0.00 N ATOM 0 H ARG A 46 -7.626 -5.886 -6.629 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.520 -7.265 -8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.119 -6.158 -8.569 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.572 -7.820 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.958 -7.028 -10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.321 -6.902 -10.785 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.854 -9.556 -9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.979 -9.162 -10.909 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.247 -9.903 -11.242 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.516 -7.496 -12.560 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.639 -7.378 -14.089 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.181 -9.706 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.797 -8.599 -14.453 1.00 0.00 H new ATOM 773 N GLY A 47 -7.622 -9.351 -6.364 1.00 0.00 N ATOM 774 CA GLY A 47 -7.571 -10.710 -5.814 1.00 0.00 C ATOM 775 C GLY A 47 -6.254 -11.416 -6.162 1.00 0.00 C ATOM 776 O GLY A 47 -5.520 -10.949 -7.041 1.00 0.00 O ATOM 0 H GLY A 47 -6.909 -8.722 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.686 -10.668 -4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.408 -11.291 -6.201 1.00 0.00 H new ATOM 780 N PRO A 48 -5.908 -12.478 -5.425 1.00 0.00 N ATOM 781 CA PRO A 48 -4.688 -13.253 -5.700 1.00 0.00 C ATOM 782 C PRO A 48 -4.792 -13.976 -7.049 1.00 0.00 C ATOM 783 O PRO A 48 -5.857 -14.440 -7.444 1.00 0.00 O ATOM 784 CB PRO A 48 -4.566 -14.228 -4.530 1.00 0.00 C ATOM 785 CG PRO A 48 -5.999 -14.416 -4.031 1.00 0.00 C ATOM 786 CD PRO A 48 -6.667 -13.069 -4.300 1.00 0.00 C ATOM 0 HA PRO A 48 -3.803 -12.622 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.130 -15.175 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.923 -13.828 -3.746 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.503 -15.224 -4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -6.022 -14.668 -2.971 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.719 -13.195 -4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.629 -12.428 -3.419 1.00 0.00 H new ATOM 794 N GLN A 49 -3.677 -13.950 -7.770 1.00 0.00 N ATOM 795 CA GLN A 49 -3.574 -14.626 -9.077 1.00 0.00 C ATOM 796 C GLN A 49 -2.900 -16.006 -8.915 1.00 0.00 C ATOM 797 O GLN A 49 -3.463 -16.879 -8.266 1.00 0.00 O ATOM 798 CB GLN A 49 -2.891 -13.664 -10.071 1.00 0.00 C ATOM 799 CG GLN A 49 -2.753 -14.286 -11.468 1.00 0.00 C ATOM 800 CD GLN A 49 -3.529 -13.596 -12.581 1.00 0.00 C ATOM 801 OE1 GLN A 49 -4.443 -12.804 -12.395 1.00 0.00 O ATOM 802 NE2 GLN A 49 -3.110 -13.874 -13.789 1.00 0.00 N ATOM 0 H GLN A 49 -2.825 -13.470 -7.479 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.554 -14.854 -9.497 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.469 -12.742 -10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.904 -13.394 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.697 -14.294 -11.738 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.077 -15.325 -11.416 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.347 -14.537 -13.924 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.547 -13.428 -14.596 1.00 0.00 H new ATOM 811 N THR A 50 -1.661 -16.124 -9.405 1.00 0.00 N ATOM 812 CA THR A 50 -0.796 -17.319 -9.349 1.00 0.00 C ATOM 813 C THR A 50 -0.732 -17.889 -7.923 1.00 0.00 C ATOM 814 O THR A 50 -1.543 -18.745 -7.602 1.00 0.00 O ATOM 815 CB THR A 50 0.594 -17.075 -9.998 1.00 0.00 C ATOM 816 OG1 THR A 50 1.514 -18.091 -9.593 1.00 0.00 O ATOM 817 CG2 THR A 50 1.201 -15.685 -9.757 1.00 0.00 C ATOM 0 H THR A 50 -1.204 -15.346 -9.880 1.00 0.00 H new ATOM 0 HA THR A 50 -1.253 -18.095 -9.964 1.00 0.00 H new ATOM 0 HB THR A 50 0.414 -17.121 -11.072 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.386 -17.928 -10.010 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.170 -15.620 -10.252 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.535 -14.922 -10.161 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.329 -15.525 -8.687 1.00 0.00 H new ATOM 825 N LEU A 51 0.090 -17.230 -7.103 1.00 0.00 N ATOM 826 CA LEU A 51 0.427 -17.511 -5.684 1.00 0.00 C ATOM 827 C LEU A 51 1.789 -16.914 -5.276 1.00 0.00 C ATOM 828 O LEU A 51 2.591 -17.513 -4.564 1.00 0.00 O ATOM 829 CB LEU A 51 0.397 -19.014 -5.351 1.00 0.00 C ATOM 830 CG LEU A 51 -0.966 -19.430 -4.793 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.320 -20.842 -5.262 1.00 0.00 C ATOM 832 CD2 LEU A 51 -0.941 -19.380 -3.266 1.00 0.00 C ATOM 0 H LEU A 51 0.590 -16.406 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.354 -17.021 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.618 -19.592 -6.248 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.176 -19.244 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.723 -18.737 -5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.292 -21.127 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.359 -20.865 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.562 -21.543 -4.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.915 -19.677 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.177 -20.061 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.714 -18.365 -2.939 1.00 0.00 H new ATOM 844 N LYS A 52 2.070 -15.721 -5.798 1.00 0.00 N ATOM 845 CA LYS A 52 3.338 -15.031 -5.497 1.00 0.00 C ATOM 846 C LYS A 52 3.105 -13.675 -4.815 1.00 0.00 C ATOM 847 O LYS A 52 3.575 -13.412 -3.711 1.00 0.00 O ATOM 848 CB LYS A 52 4.166 -14.890 -6.780 1.00 0.00 C ATOM 849 CG LYS A 52 4.540 -16.234 -7.418 1.00 0.00 C ATOM 850 CD LYS A 52 5.992 -16.253 -7.900 1.00 0.00 C ATOM 851 CE LYS A 52 6.961 -16.361 -6.718 1.00 0.00 C ATOM 852 NZ LYS A 52 8.358 -16.295 -7.163 1.00 0.00 N ATOM 0 H LYS A 52 1.449 -15.211 -6.426 1.00 0.00 H new ATOM 0 HA LYS A 52 3.900 -15.636 -4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.604 -14.298 -7.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.078 -14.337 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.387 -17.034 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.876 -16.434 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.143 -17.094 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.203 -15.346 -8.466 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.765 -15.556 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.790 -17.299 -6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.989 -16.371 -6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.550 -17.078 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.526 -15.389 -7.645 1.00 0.00 H new ATOM 866 N GLU A 53 2.221 -12.883 -5.415 1.00 0.00 N ATOM 867 CA GLU A 53 1.843 -11.558 -4.895 1.00 0.00 C ATOM 868 C GLU A 53 0.660 -11.644 -3.912 1.00 0.00 C ATOM 869 O GLU A 53 -0.369 -11.013 -4.092 1.00 0.00 O ATOM 870 CB GLU A 53 1.603 -10.593 -6.072 1.00 0.00 C ATOM 871 CG GLU A 53 0.511 -11.007 -7.071 1.00 0.00 C ATOM 872 CD GLU A 53 1.085 -11.575 -8.365 1.00 0.00 C ATOM 873 OE1 GLU A 53 1.611 -12.709 -8.275 1.00 0.00 O ATOM 874 OE2 GLU A 53 0.985 -10.877 -9.392 1.00 0.00 O ATOM 0 H GLU A 53 1.741 -13.136 -6.279 1.00 0.00 H new ATOM 0 HA GLU A 53 2.665 -11.152 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.345 -9.615 -5.667 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.540 -10.475 -6.616 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.137 -11.751 -6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.111 -10.143 -7.302 1.00 0.00 H new ATOM 881 N THR A 54 0.818 -12.440 -2.858 1.00 0.00 N ATOM 882 CA THR A 54 -0.230 -12.677 -1.829 1.00 0.00 C ATOM 883 C THR A 54 0.408 -13.281 -0.562 1.00 0.00 C ATOM 884 O THR A 54 0.143 -14.396 -0.122 1.00 0.00 O ATOM 885 CB THR A 54 -1.435 -13.459 -2.427 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.229 -12.542 -3.182 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.404 -14.145 -1.456 1.00 0.00 C ATOM 0 H THR A 54 1.682 -12.952 -2.678 1.00 0.00 H new ATOM 0 HA THR A 54 -0.671 -11.735 -1.503 1.00 0.00 H new ATOM 0 HB THR A 54 -0.959 -14.262 -2.990 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.747 -11.694 -3.278 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.189 -14.648 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.862 -14.877 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.850 -13.398 -0.799 1.00 0.00 H new ATOM 895 N SER A 55 1.288 -12.480 0.027 1.00 0.00 N ATOM 896 CA SER A 55 1.937 -12.845 1.309 1.00 0.00 C ATOM 897 C SER A 55 1.435 -11.974 2.462 1.00 0.00 C ATOM 898 O SER A 55 1.009 -12.471 3.504 1.00 0.00 O ATOM 899 CB SER A 55 3.469 -12.761 1.244 1.00 0.00 C ATOM 900 OG SER A 55 3.981 -13.768 0.369 1.00 0.00 O ATOM 0 H SER A 55 1.576 -11.577 -0.349 1.00 0.00 H new ATOM 0 HA SER A 55 1.661 -13.883 1.492 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.772 -11.775 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.890 -12.887 2.241 1.00 0.00 H new ATOM 0 HG SER A 55 4.958 -13.704 0.333 1.00 0.00 H new ATOM 906 N PHE A 56 1.256 -10.698 2.144 1.00 0.00 N ATOM 907 CA PHE A 56 0.828 -9.661 3.103 1.00 0.00 C ATOM 908 C PHE A 56 -0.674 -9.726 3.314 1.00 0.00 C ATOM 909 O PHE A 56 -1.065 -10.053 4.411 1.00 0.00 O ATOM 910 CB PHE A 56 1.174 -8.252 2.627 1.00 0.00 C ATOM 911 CG PHE A 56 2.506 -8.194 1.898 1.00 0.00 C ATOM 912 CD1 PHE A 56 3.611 -8.952 2.292 1.00 0.00 C ATOM 913 CD2 PHE A 56 2.552 -7.451 0.726 1.00 0.00 C ATOM 914 CE1 PHE A 56 4.750 -8.973 1.516 1.00 0.00 C ATOM 915 CE2 PHE A 56 3.703 -7.456 -0.034 1.00 0.00 C ATOM 916 CZ PHE A 56 4.803 -8.216 0.346 1.00 0.00 C ATOM 0 H PHE A 56 1.404 -10.339 1.201 1.00 0.00 H new ATOM 0 HA PHE A 56 1.362 -9.861 4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.386 -7.892 1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.203 -7.579 3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.573 -9.523 3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.694 -6.874 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.598 -9.573 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.750 -6.862 -0.935 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.695 -8.220 -0.262 1.00 0.00 H new ATOM 926 N ASN A 57 -1.457 -9.738 2.234 1.00 0.00 N ATOM 927 CA ASN A 57 -2.923 -9.897 2.326 1.00 0.00 C ATOM 928 C ASN A 57 -3.330 -11.113 3.181 1.00 0.00 C ATOM 929 O ASN A 57 -4.301 -11.057 3.929 1.00 0.00 O ATOM 930 CB ASN A 57 -3.478 -10.088 0.920 1.00 0.00 C ATOM 931 CG ASN A 57 -5.002 -9.987 0.892 1.00 0.00 C ATOM 932 OD1 ASN A 57 -5.580 -8.963 0.566 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.665 -11.071 1.216 1.00 0.00 N ATOM 0 H ASN A 57 -1.107 -9.640 1.281 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.326 -9.003 2.803 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -3.052 -9.336 0.256 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.171 -11.062 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.685 -11.069 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.161 -11.916 1.485 1.00 0.00 H new ATOM 940 N GLN A 58 -2.492 -12.150 3.129 1.00 0.00 N ATOM 941 CA GLN A 58 -2.665 -13.369 3.931 1.00 0.00 C ATOM 942 C GLN A 58 -2.558 -13.157 5.453 1.00 0.00 C ATOM 943 O GLN A 58 -3.441 -13.575 6.196 1.00 0.00 O ATOM 944 CB GLN A 58 -1.672 -14.434 3.451 1.00 0.00 C ATOM 945 CG GLN A 58 -2.352 -15.423 2.500 1.00 0.00 C ATOM 946 CD GLN A 58 -3.501 -16.137 3.220 1.00 0.00 C ATOM 947 OE1 GLN A 58 -4.654 -15.731 3.177 1.00 0.00 O ATOM 948 NE2 GLN A 58 -3.184 -17.178 3.954 1.00 0.00 N ATOM 0 H GLN A 58 -1.669 -12.171 2.527 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.690 -13.704 3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.834 -13.954 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.263 -14.969 4.308 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.732 -14.896 1.625 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.626 -16.153 2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.219 -17.507 3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.903 -17.657 4.496 1.00 0.00 H new ATOM 957 N ALA A 59 -1.563 -12.374 5.861 1.00 0.00 N ATOM 958 CA ALA A 59 -1.292 -12.031 7.275 1.00 0.00 C ATOM 959 C ALA A 59 -1.583 -10.545 7.568 1.00 0.00 C ATOM 960 O ALA A 59 -2.612 -10.207 8.154 1.00 0.00 O ATOM 961 CB ALA A 59 0.152 -12.421 7.618 1.00 0.00 C ATOM 0 H ALA A 59 -0.902 -11.946 5.213 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.967 -12.597 7.917 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.359 -12.171 8.659 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.285 -13.493 7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.839 -11.877 6.971 1.00 0.00 H new ATOM 967 N TYR A 60 -0.774 -9.665 6.981 1.00 0.00 N ATOM 968 CA TYR A 60 -0.947 -8.197 6.925 1.00 0.00 C ATOM 969 C TYR A 60 -2.094 -7.722 5.998 1.00 0.00 C ATOM 970 O TYR A 60 -2.006 -6.679 5.344 1.00 0.00 O ATOM 971 CB TYR A 60 0.387 -7.569 6.488 1.00 0.00 C ATOM 972 CG TYR A 60 1.452 -7.639 7.575 1.00 0.00 C ATOM 973 CD1 TYR A 60 1.210 -7.064 8.819 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.662 -8.292 7.335 1.00 0.00 C ATOM 975 CE1 TYR A 60 2.152 -7.145 9.819 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.607 -8.378 8.338 1.00 0.00 C ATOM 977 CZ TYR A 60 3.352 -7.809 9.583 1.00 0.00 C ATOM 978 OH TYR A 60 4.176 -7.995 10.632 1.00 0.00 O ATOM 0 H TYR A 60 0.074 -9.966 6.500 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.236 -7.869 7.924 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.750 -8.080 5.596 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.221 -6.527 6.214 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.277 -6.551 9.001 1.00 0.00 H new ATOM 0 HD2 TYR A 60 2.859 -8.729 6.367 1.00 0.00 H new ATOM 0 HE1 TYR A 60 1.961 -6.695 10.782 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.543 -8.886 8.157 1.00 0.00 H new ATOM 0 HH TYR A 60 4.856 -8.662 10.400 1.00 0.00 H new ATOM 988 N GLY A 61 -3.216 -8.453 6.042 1.00 0.00 N ATOM 989 CA GLY A 61 -4.475 -8.094 5.349 1.00 0.00 C ATOM 990 C GLY A 61 -5.097 -6.781 5.866 1.00 0.00 C ATOM 991 O GLY A 61 -5.956 -6.171 5.241 1.00 0.00 O ATOM 0 H GLY A 61 -3.282 -9.325 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.281 -8.001 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.194 -8.903 5.473 1.00 0.00 H new ATOM 995 N ARG A 62 -4.635 -6.349 7.033 1.00 0.00 N ATOM 996 CA ARG A 62 -5.084 -5.084 7.651 1.00 0.00 C ATOM 997 C ARG A 62 -4.097 -3.927 7.442 1.00 0.00 C ATOM 998 O ARG A 62 -4.384 -2.795 7.820 1.00 0.00 O ATOM 999 CB ARG A 62 -5.311 -5.313 9.146 1.00 0.00 C ATOM 1000 CG ARG A 62 -6.403 -6.360 9.355 1.00 0.00 C ATOM 1001 CD ARG A 62 -6.052 -7.214 10.566 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.517 -8.588 10.320 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.341 -9.628 11.136 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -5.715 -9.502 12.300 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -6.793 -10.824 10.795 1.00 0.00 N ATOM 0 H ARG A 62 -3.942 -6.855 7.584 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.012 -4.791 7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.385 -5.643 9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.597 -4.377 9.626 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.367 -5.873 9.505 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.497 -6.987 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.976 -7.204 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.522 -6.810 11.463 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.018 -8.760 9.448 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.355 -8.593 12.590 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.594 -10.314 12.905 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.277 -10.952 9.906 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.657 -11.618 11.421 1.00 0.00 H new ATOM 1019 N ASP A 63 -3.015 -4.204 6.714 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.970 -3.207 6.428 1.00 0.00 C ATOM 1021 C ASP A 63 -2.457 -2.258 5.310 1.00 0.00 C ATOM 1022 O ASP A 63 -3.618 -1.864 5.331 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.671 -3.964 6.145 1.00 0.00 C ATOM 1024 CG ASP A 63 0.520 -3.036 6.353 1.00 0.00 C ATOM 1025 OD1 ASP A 63 0.806 -2.313 5.376 1.00 0.00 O ATOM 1026 OD2 ASP A 63 1.052 -3.029 7.479 1.00 0.00 O ATOM 0 H ASP A 63 -2.834 -5.121 6.305 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.762 -2.548 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.591 -4.828 6.805 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.675 -4.343 5.123 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.629 -1.964 4.304 1.00 0.00 N ATOM 1032 CA LEU A 64 -1.963 -1.109 3.148 1.00 0.00 C ATOM 1033 C LEU A 64 -3.341 -1.408 2.531 1.00 0.00 C ATOM 1034 O LEU A 64 -4.112 -0.487 2.284 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.828 -1.205 2.117 1.00 0.00 C ATOM 1036 CG LEU A 64 -0.814 -2.510 1.320 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -1.372 -2.254 -0.083 1.00 0.00 C ATOM 1038 CD2 LEU A 64 0.581 -3.132 1.309 1.00 0.00 C ATOM 0 H LEU A 64 -0.675 -2.323 4.265 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.049 -0.082 3.503 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.911 -0.369 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.126 -1.097 2.633 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.460 -3.244 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.363 -3.183 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.395 -1.885 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.756 -1.511 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.562 -4.059 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.286 -2.437 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.893 -3.345 2.332 1.00 0.00 H new ATOM 1050 N MET A 65 -3.701 -2.696 2.562 1.00 0.00 N ATOM 1051 CA MET A 65 -5.026 -3.210 2.170 1.00 0.00 C ATOM 1052 C MET A 65 -6.165 -2.393 2.813 1.00 0.00 C ATOM 1053 O MET A 65 -6.812 -1.630 2.102 1.00 0.00 O ATOM 1054 CB MET A 65 -5.096 -4.694 2.548 1.00 0.00 C ATOM 1055 CG MET A 65 -6.392 -5.334 2.045 1.00 0.00 C ATOM 1056 SD MET A 65 -6.577 -7.083 2.537 1.00 0.00 S ATOM 1057 CE MET A 65 -8.299 -7.081 2.981 1.00 0.00 C ATOM 0 H MET A 65 -3.065 -3.432 2.868 1.00 0.00 H new ATOM 0 HA MET A 65 -5.159 -3.106 1.093 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.240 -5.220 2.125 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.032 -4.799 3.631 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.241 -4.766 2.426 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.424 -5.265 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.591 -8.078 3.310 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.465 -6.369 3.789 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.897 -6.794 2.116 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.165 -2.307 4.144 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.136 -1.474 4.885 1.00 0.00 C ATOM 1069 C GLU A 66 -6.709 -0.007 5.036 1.00 0.00 C ATOM 1070 O GLU A 66 -7.557 0.880 4.990 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.482 -2.047 6.258 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.387 -3.279 6.151 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.063 -3.634 7.482 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.482 -3.326 8.548 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -10.192 -4.164 7.413 1.00 0.00 O ATOM 0 H GLU A 66 -5.503 -2.803 4.741 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.029 -1.495 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.564 -2.315 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.978 -1.283 6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.152 -3.098 5.396 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.797 -4.130 5.809 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.397 0.235 5.014 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.810 1.590 5.069 1.00 0.00 C ATOM 1084 C ALA A 67 -5.293 2.477 3.912 1.00 0.00 C ATOM 1085 O ALA A 67 -5.341 3.701 4.025 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.288 1.495 5.015 1.00 0.00 C ATOM 0 H ALA A 67 -4.699 -0.506 4.957 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.134 2.045 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.859 2.496 5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.930 0.912 5.863 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.986 1.009 4.087 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.660 1.811 2.821 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.254 2.468 1.656 1.00 0.00 C ATOM 1094 C GLN A 68 -7.738 2.145 1.441 1.00 0.00 C ATOM 1095 O GLN A 68 -8.475 3.049 1.058 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.433 2.136 0.418 1.00 0.00 C ATOM 1097 CG GLN A 68 -5.944 3.015 -0.720 1.00 0.00 C ATOM 1098 CD GLN A 68 -4.864 3.382 -1.719 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -3.866 2.705 -1.922 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -5.089 4.497 -2.363 1.00 0.00 N ATOM 0 H GLN A 68 -5.555 0.802 2.717 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.227 3.541 1.848 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.374 2.320 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.534 1.081 0.163 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.749 2.495 -1.239 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.370 3.927 -0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.932 5.037 -2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.421 4.827 -3.060 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.155 0.893 1.649 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.580 0.496 1.556 1.00 0.00 C ATOM 1111 C GLU A 69 -10.525 1.452 2.309 1.00 0.00 C ATOM 1112 O GLU A 69 -11.613 1.764 1.826 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.750 -0.937 2.066 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.145 -1.500 1.775 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.252 -3.007 2.024 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -10.616 -3.499 2.987 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.004 -3.632 1.247 1.00 0.00 O ATOM 0 H GLU A 69 -7.527 0.125 1.885 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.862 0.553 0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.999 -1.576 1.602 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.569 -0.961 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.875 -0.983 2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.405 -1.290 0.737 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.990 2.067 3.361 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.665 3.154 4.081 1.00 0.00 C ATOM 1126 C TRP A 70 -10.512 4.489 3.327 1.00 0.00 C ATOM 1127 O TRP A 70 -10.307 5.533 3.932 1.00 0.00 O ATOM 1128 CB TRP A 70 -10.123 3.210 5.515 1.00 0.00 C ATOM 1129 CG TRP A 70 -10.503 1.961 6.329 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -9.654 1.206 7.026 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -11.754 1.383 6.425 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -10.313 0.179 7.554 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -11.593 0.245 7.228 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -13.012 1.724 5.953 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -12.700 -0.522 7.548 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -14.120 0.976 6.310 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -13.963 -0.158 7.110 1.00 0.00 C ATOM 0 H TRP A 70 -9.075 1.828 3.742 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.737 2.963 4.134 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -9.038 3.308 5.488 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.511 4.098 6.014 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -8.598 1.398 7.143 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.893 -0.553 8.127 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -13.128 2.579 5.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -12.578 -1.413 8.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -15.103 1.268 5.971 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -14.823 -0.749 7.386 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.775 4.465 2.019 1.00 0.00 N ATOM 1149 CA CYS A 71 -10.645 5.647 1.140 1.00 0.00 C ATOM 1150 C CYS A 71 -11.893 6.527 1.239 1.00 0.00 C ATOM 1151 O CYS A 71 -11.798 7.647 1.723 1.00 0.00 O ATOM 1152 CB CYS A 71 -10.364 5.299 -0.326 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.200 6.810 -1.352 1.00 0.00 S ATOM 0 H CYS A 71 -11.086 3.626 1.530 1.00 0.00 H new ATOM 0 HA CYS A 71 -9.773 6.193 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.449 4.711 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -11.171 4.679 -0.716 1.00 0.00 H new ATOM 0 HG CYS A 71 -9.961 6.474 -2.585 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.047 5.970 0.872 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.357 6.631 1.064 1.00 0.00 C ATOM 1161 C ARG A 72 -14.557 7.167 2.496 1.00 0.00 C ATOM 1162 O ARG A 72 -15.176 8.206 2.704 1.00 0.00 O ATOM 1163 CB ARG A 72 -15.473 5.640 0.748 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.374 6.158 -0.372 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.825 5.896 0.018 1.00 0.00 C ATOM 1166 NE ARG A 72 -18.670 5.794 -1.181 1.00 0.00 N ATOM 1167 CZ ARG A 72 -19.981 5.534 -1.187 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -20.680 5.438 -0.062 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -20.624 5.393 -2.334 1.00 0.00 N ATOM 0 H ARG A 72 -13.110 5.051 0.434 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.384 7.486 0.388 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.041 4.683 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.068 5.462 1.643 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.210 7.224 -0.528 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.137 5.658 -1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.892 4.975 0.596 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.187 6.701 0.658 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.217 5.933 -2.084 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -20.217 5.564 0.838 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -21.680 5.239 -0.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -20.119 5.483 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -21.625 5.195 -2.337 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.942 6.471 3.456 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.821 6.932 4.849 1.00 0.00 C ATOM 1185 C LYS A 73 -12.803 8.069 5.011 1.00 0.00 C ATOM 1186 O LYS A 73 -13.203 9.192 5.288 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.519 5.771 5.798 1.00 0.00 C ATOM 1188 CG LYS A 73 -14.805 5.093 6.276 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.948 5.273 7.788 1.00 0.00 C ATOM 1190 CE LYS A 73 -16.092 4.425 8.342 1.00 0.00 C ATOM 1191 NZ LYS A 73 -16.249 4.648 9.785 1.00 0.00 N ATOM 0 H LYS A 73 -13.509 5.563 3.290 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.792 7.345 5.123 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.887 5.041 5.293 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.958 6.138 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.666 5.523 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.783 4.032 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.016 4.995 8.279 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.128 6.324 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.020 4.675 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.895 3.370 8.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -17.031 4.063 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.369 4.387 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.458 5.651 9.960 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.547 7.851 4.634 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.475 8.874 4.668 1.00 0.00 C ATOM 1207 C TYR A 74 -10.836 10.182 3.933 1.00 0.00 C ATOM 1208 O TYR A 74 -10.315 11.243 4.267 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.199 8.228 4.108 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.212 9.192 3.469 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -7.385 9.966 4.271 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.289 9.430 2.099 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -6.625 10.969 3.701 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -7.524 10.425 1.528 1.00 0.00 C ATOM 1215 CZ TYR A 74 -6.678 11.185 2.327 1.00 0.00 C ATOM 1216 OH TYR A 74 -5.847 12.073 1.748 1.00 0.00 O ATOM 0 H TYR A 74 -11.227 6.946 4.288 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.324 9.189 5.701 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.694 7.699 4.916 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.484 7.481 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.336 9.785 5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.948 8.835 1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.990 11.585 4.321 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.582 10.613 0.466 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.017 12.099 0.783 1.00 0.00 H new ATOM 1226 N MET A 75 -11.765 10.066 2.989 1.00 0.00 N ATOM 1227 CA MET A 75 -12.342 11.170 2.208 1.00 0.00 C ATOM 1228 C MET A 75 -12.903 12.317 3.054 1.00 0.00 C ATOM 1229 O MET A 75 -12.885 13.433 2.554 1.00 0.00 O ATOM 1230 CB MET A 75 -13.426 10.611 1.285 1.00 0.00 C ATOM 1231 CG MET A 75 -12.884 10.417 -0.130 1.00 0.00 C ATOM 1232 SD MET A 75 -12.970 11.950 -1.126 1.00 0.00 S ATOM 1233 CE MET A 75 -14.359 11.529 -2.155 1.00 0.00 C ATOM 0 H MET A 75 -12.158 9.161 2.731 1.00 0.00 H new ATOM 0 HA MET A 75 -11.526 11.609 1.634 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.787 9.659 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.278 11.291 1.263 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.849 10.079 -0.077 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.451 9.631 -0.629 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.568 12.352 -2.839 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.129 10.630 -2.727 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.233 11.347 -1.530 1.00 0.00 H new ATOM 1243 N LYS A 76 -13.365 11.996 4.270 1.00 0.00 N ATOM 1244 CA LYS A 76 -13.909 12.905 5.316 1.00 0.00 C ATOM 1245 C LYS A 76 -14.486 12.191 6.553 1.00 0.00 C ATOM 1246 O LYS A 76 -14.349 12.663 7.679 1.00 0.00 O ATOM 1247 CB LYS A 76 -14.932 13.925 4.792 1.00 0.00 C ATOM 1248 CG LYS A 76 -14.221 15.263 4.566 1.00 0.00 C ATOM 1249 CD LYS A 76 -14.548 15.906 3.215 1.00 0.00 C ATOM 1250 CE LYS A 76 -13.271 16.541 2.653 1.00 0.00 C ATOM 1251 NZ LYS A 76 -13.531 17.377 1.475 1.00 0.00 N ATOM 0 H LYS A 76 -13.374 11.025 4.582 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.018 13.447 5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.376 13.571 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.746 14.046 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.497 15.952 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.144 15.110 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.934 15.157 2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.325 16.661 3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.799 17.146 3.427 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.564 15.755 2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.637 17.783 1.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.957 16.797 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.184 18.145 1.731 1.00 0.00 H new ATOM 1265 N SER A 77 -15.006 10.987 6.336 1.00 0.00 N ATOM 1266 CA SER A 77 -15.565 10.096 7.382 1.00 0.00 C ATOM 1267 C SER A 77 -14.527 9.660 8.439 1.00 0.00 C ATOM 1268 O SER A 77 -14.791 9.699 9.639 1.00 0.00 O ATOM 1269 CB SER A 77 -16.162 8.880 6.668 1.00 0.00 C ATOM 1270 OG SER A 77 -17.200 8.282 7.442 1.00 0.00 O ATOM 0 H SER A 77 -15.058 10.579 5.403 1.00 0.00 H new ATOM 0 HA SER A 77 -16.323 10.643 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 77 -16.557 9.183 5.698 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.379 8.146 6.478 1.00 0.00 H new ATOM 0 HG SER A 77 -17.563 7.510 6.961 1.00 0.00 H new ATOM 1276 N GLY A 78 -13.308 9.352 7.974 1.00 0.00 N ATOM 1277 CA GLY A 78 -12.145 9.037 8.828 1.00 0.00 C ATOM 1278 C GLY A 78 -11.199 10.236 9.018 1.00 0.00 C ATOM 1279 O GLY A 78 -10.408 10.263 9.960 1.00 0.00 O ATOM 0 H GLY A 78 -13.095 9.313 6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.497 8.701 9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.590 8.209 8.387 1.00 0.00 H new ATOM 1283 N ASN A 79 -11.230 11.170 8.061 1.00 0.00 N ATOM 1284 CA ASN A 79 -10.334 12.345 7.994 1.00 0.00 C ATOM 1285 C ASN A 79 -8.840 11.960 7.995 1.00 0.00 C ATOM 1286 O ASN A 79 -8.476 10.783 7.937 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.679 13.304 9.149 1.00 0.00 C ATOM 1288 CG ASN A 79 -11.506 14.511 8.707 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -12.111 14.561 7.645 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.413 15.580 9.465 1.00 0.00 N ATOM 0 H ASN A 79 -11.894 11.135 7.288 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.500 12.849 7.042 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.229 12.756 9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -9.755 13.654 9.609 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.846 16.455 9.168 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -10.908 15.535 10.350 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.972 12.966 8.114 1.00 0.00 N ATOM 1298 CA VAL A 80 -6.531 12.758 8.399 1.00 0.00 C ATOM 1299 C VAL A 80 -6.314 11.841 9.621 1.00 0.00 C ATOM 1300 O VAL A 80 -5.366 11.063 9.612 1.00 0.00 O ATOM 1301 CB VAL A 80 -5.778 14.101 8.527 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -4.318 13.960 8.986 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -5.757 14.808 7.169 1.00 0.00 C ATOM 0 H VAL A 80 -8.235 13.947 8.018 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.101 12.238 7.543 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.317 14.666 9.287 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.860 14.947 9.051 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.289 13.482 9.965 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.768 13.351 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.226 15.755 7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.251 14.177 6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.779 14.996 6.841 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.294 11.792 10.528 1.00 0.00 N ATOM 1314 CA LYS A 81 -7.285 10.867 11.676 1.00 0.00 C ATOM 1315 C LYS A 81 -7.203 9.377 11.285 1.00 0.00 C ATOM 1316 O LYS A 81 -6.649 8.567 12.021 1.00 0.00 O ATOM 1317 CB LYS A 81 -8.488 11.123 12.590 1.00 0.00 C ATOM 1318 CG LYS A 81 -8.058 11.492 14.017 1.00 0.00 C ATOM 1319 CD LYS A 81 -7.085 10.461 14.606 1.00 0.00 C ATOM 1320 CE LYS A 81 -7.067 10.445 16.131 1.00 0.00 C ATOM 1321 NZ LYS A 81 -5.825 11.006 16.679 1.00 0.00 N ATOM 0 H LYS A 81 -8.119 12.391 10.491 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.365 11.081 12.219 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.094 11.928 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.117 10.233 12.619 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.586 12.475 14.011 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.939 11.565 14.654 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.355 9.469 14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.080 10.671 14.241 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.917 11.013 16.508 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.187 9.420 16.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.858 10.974 17.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.014 10.449 16.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.722 11.992 16.366 1.00 0.00 H new ATOM 1335 N ASP A 82 -7.619 9.068 10.062 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.420 7.749 9.432 1.00 0.00 C ATOM 1337 C ASP A 82 -6.112 7.668 8.638 1.00 0.00 C ATOM 1338 O ASP A 82 -5.367 6.696 8.735 1.00 0.00 O ATOM 1339 CB ASP A 82 -8.585 7.445 8.492 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.514 6.371 9.059 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.790 6.410 10.276 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.975 5.564 8.224 1.00 0.00 O ATOM 0 H ASP A 82 -8.112 9.730 9.464 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.370 7.017 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.153 8.358 8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.197 7.116 7.528 1.00 0.00 H new ATOM 1347 N LEU A 83 -5.800 8.741 7.920 1.00 0.00 N ATOM 1348 CA LEU A 83 -4.561 8.820 7.132 1.00 0.00 C ATOM 1349 C LEU A 83 -3.289 8.686 7.986 1.00 0.00 C ATOM 1350 O LEU A 83 -2.375 7.946 7.618 1.00 0.00 O ATOM 1351 CB LEU A 83 -4.578 10.127 6.337 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.649 10.128 5.121 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -2.194 10.281 5.542 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.846 8.900 4.224 1.00 0.00 C ATOM 0 H LEU A 83 -6.386 9.574 7.863 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.529 7.970 6.451 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.597 10.324 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.295 10.946 6.998 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.921 10.995 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.557 10.278 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.067 11.222 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.914 9.452 6.193 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.161 8.954 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.644 7.995 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.873 8.877 3.859 1.00 0.00 H new ATOM 1366 N THR A 84 -3.290 9.325 9.150 1.00 0.00 N ATOM 1367 CA THR A 84 -2.205 9.213 10.153 1.00 0.00 C ATOM 1368 C THR A 84 -1.906 7.743 10.526 1.00 0.00 C ATOM 1369 O THR A 84 -0.753 7.321 10.538 1.00 0.00 O ATOM 1370 CB THR A 84 -2.484 10.084 11.396 1.00 0.00 C ATOM 1371 OG1 THR A 84 -1.451 9.904 12.361 1.00 0.00 O ATOM 1372 CG2 THR A 84 -3.833 9.832 12.072 1.00 0.00 C ATOM 0 H THR A 84 -4.046 9.945 9.440 1.00 0.00 H new ATOM 0 HA THR A 84 -1.300 9.604 9.688 1.00 0.00 H new ATOM 0 HB THR A 84 -2.513 11.107 11.021 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.635 10.462 13.146 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.937 10.491 12.934 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.638 10.032 11.364 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.887 8.794 12.400 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.965 6.936 10.503 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.893 5.476 10.711 1.00 0.00 C ATOM 1382 C GLN A 85 -2.500 4.692 9.455 1.00 0.00 C ATOM 1383 O GLN A 85 -1.720 3.746 9.538 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.219 4.959 11.260 1.00 0.00 C ATOM 1385 CG GLN A 85 -4.144 4.940 12.786 1.00 0.00 C ATOM 1386 CD GLN A 85 -5.531 5.092 13.402 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -6.088 6.175 13.461 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -6.120 4.019 13.876 1.00 0.00 N ATOM 0 H GLN A 85 -3.913 7.274 10.338 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.096 5.310 11.435 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.039 5.597 10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -4.421 3.958 10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.694 4.005 13.120 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.498 5.747 13.132 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.651 3.115 13.825 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.047 4.089 14.296 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.936 5.168 8.292 1.00 0.00 N ATOM 1398 CA ALA A 86 -2.559 4.598 6.986 1.00 0.00 C ATOM 1399 C ALA A 86 -1.040 4.664 6.768 1.00 0.00 C ATOM 1400 O ALA A 86 -0.419 3.629 6.537 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.299 5.336 5.869 1.00 0.00 C ATOM 0 H ALA A 86 -3.566 5.967 8.220 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.846 3.547 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.018 4.912 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.374 5.230 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.033 6.393 5.892 1.00 0.00 H new ATOM 1407 N TRP A 87 -0.453 5.800 7.157 1.00 0.00 N ATOM 1408 CA TRP A 87 1.012 5.976 7.217 1.00 0.00 C ATOM 1409 C TRP A 87 1.655 4.953 8.158 1.00 0.00 C ATOM 1410 O TRP A 87 2.667 4.364 7.804 1.00 0.00 O ATOM 1411 CB TRP A 87 1.341 7.400 7.664 1.00 0.00 C ATOM 1412 CG TRP A 87 2.565 7.531 8.597 1.00 0.00 C ATOM 1413 CD1 TRP A 87 2.493 7.850 9.888 1.00 0.00 C ATOM 1414 CD2 TRP A 87 3.901 7.399 8.266 1.00 0.00 C ATOM 1415 NE1 TRP A 87 3.722 7.934 10.386 1.00 0.00 N ATOM 1416 CE2 TRP A 87 4.613 7.664 9.447 1.00 0.00 C ATOM 1417 CE3 TRP A 87 4.586 7.156 7.087 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.997 7.671 9.422 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 5.972 7.125 7.076 1.00 0.00 C ATOM 1420 CH2 TRP A 87 6.681 7.386 8.251 1.00 0.00 C ATOM 0 H TRP A 87 -0.976 6.628 7.441 1.00 0.00 H new ATOM 0 HA TRP A 87 1.422 5.810 6.221 1.00 0.00 H new ATOM 0 HB2 TRP A 87 1.513 8.011 6.778 1.00 0.00 H new ATOM 0 HB3 TRP A 87 0.471 7.814 8.173 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.581 8.014 10.442 1.00 0.00 H new ATOM 0 HE1 TRP A 87 3.946 8.172 11.352 1.00 0.00 H new ATOM 0 HE3 TRP A 87 4.038 6.990 6.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.548 7.900 10.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 6.502 6.900 6.162 1.00 0.00 H new ATOM 0 HH2 TRP A 87 7.761 7.366 8.247 1.00 0.00 H new ATOM 1431 N ASP A 88 0.986 4.690 9.278 1.00 0.00 N ATOM 1432 CA ASP A 88 1.470 3.728 10.275 1.00 0.00 C ATOM 1433 C ASP A 88 1.466 2.323 9.664 1.00 0.00 C ATOM 1434 O ASP A 88 2.516 1.719 9.658 1.00 0.00 O ATOM 1435 CB ASP A 88 0.626 3.775 11.552 1.00 0.00 C ATOM 1436 CG ASP A 88 1.368 3.283 12.801 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.332 2.498 12.658 1.00 0.00 O ATOM 1438 OD2 ASP A 88 0.923 3.688 13.895 1.00 0.00 O ATOM 0 H ASP A 88 0.100 5.132 9.522 1.00 0.00 H new ATOM 0 HA ASP A 88 2.489 3.994 10.557 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.292 4.799 11.719 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.268 3.168 11.409 1.00 0.00 H new ATOM 1443 N LEU A 89 0.438 1.966 8.888 1.00 0.00 N ATOM 1444 CA LEU A 89 0.378 0.660 8.197 1.00 0.00 C ATOM 1445 C LEU A 89 1.416 0.545 7.068 1.00 0.00 C ATOM 1446 O LEU A 89 2.216 -0.389 7.058 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.043 0.397 7.684 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.048 0.229 8.833 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.484 0.262 8.315 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.822 -1.089 9.579 1.00 0.00 C ATOM 0 H LEU A 89 -0.372 2.562 8.718 1.00 0.00 H new ATOM 0 HA LEU A 89 0.633 -0.110 8.924 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.357 1.223 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.045 -0.501 7.066 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.890 1.062 9.518 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.175 0.141 9.149 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.672 1.217 7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.632 -0.548 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.549 -1.179 10.387 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.942 -1.923 8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.814 -1.104 9.994 1.00 0.00 H new ATOM 1462 N TYR A 90 1.529 1.610 6.281 1.00 0.00 N ATOM 1463 CA TYR A 90 2.543 1.754 5.218 1.00 0.00 C ATOM 1464 C TYR A 90 3.977 1.682 5.752 1.00 0.00 C ATOM 1465 O TYR A 90 4.765 0.879 5.265 1.00 0.00 O ATOM 1466 CB TYR A 90 2.347 3.082 4.473 1.00 0.00 C ATOM 1467 CG TYR A 90 0.970 3.228 3.828 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.280 2.133 3.309 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.367 4.481 3.818 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -0.988 2.297 2.802 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.906 4.649 3.305 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.595 3.549 2.808 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.825 3.671 2.262 1.00 0.00 O ATOM 0 H TYR A 90 0.911 2.418 6.358 1.00 0.00 H new ATOM 0 HA TYR A 90 2.401 0.914 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.501 3.906 5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.111 3.171 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.741 1.156 3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.899 5.333 4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.517 1.447 2.396 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.362 5.628 3.291 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.126 4.601 2.338 1.00 0.00 H new ATOM 1483 N TYR A 91 4.246 2.429 6.817 1.00 0.00 N ATOM 1484 CA TYR A 91 5.540 2.467 7.520 1.00 0.00 C ATOM 1485 C TYR A 91 5.851 1.201 8.341 1.00 0.00 C ATOM 1486 O TYR A 91 6.957 0.666 8.287 1.00 0.00 O ATOM 1487 CB TYR A 91 5.536 3.701 8.425 1.00 0.00 C ATOM 1488 CG TYR A 91 6.921 4.060 8.936 1.00 0.00 C ATOM 1489 CD1 TYR A 91 7.972 4.265 8.046 1.00 0.00 C ATOM 1490 CD2 TYR A 91 7.101 4.289 10.297 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.199 4.687 8.510 1.00 0.00 C ATOM 1492 CE2 TYR A 91 8.327 4.710 10.764 1.00 0.00 C ATOM 1493 CZ TYR A 91 9.385 4.897 9.876 1.00 0.00 C ATOM 1494 OH TYR A 91 10.605 5.227 10.349 1.00 0.00 O ATOM 0 H TYR A 91 3.552 3.048 7.235 1.00 0.00 H new ATOM 0 HA TYR A 91 6.328 2.515 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.126 4.548 7.875 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.876 3.522 9.274 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.825 4.093 6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.282 4.137 10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.012 4.854 7.819 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.468 4.895 11.819 1.00 0.00 H new ATOM 0 HH TYR A 91 10.560 5.338 11.322 1.00 0.00 H new ATOM 1504 N HIS A 92 4.834 0.676 9.015 1.00 0.00 N ATOM 1505 CA HIS A 92 4.905 -0.565 9.818 1.00 0.00 C ATOM 1506 C HIS A 92 5.257 -1.748 8.908 1.00 0.00 C ATOM 1507 O HIS A 92 6.152 -2.536 9.212 1.00 0.00 O ATOM 1508 CB HIS A 92 3.551 -0.840 10.484 1.00 0.00 C ATOM 1509 CG HIS A 92 3.562 -2.052 11.421 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.495 -2.314 12.322 1.00 0.00 N ATOM 1511 CD2 HIS A 92 2.724 -3.078 11.361 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.235 -3.527 12.821 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.143 -3.997 12.229 1.00 0.00 N ATOM 0 H HIS A 92 3.908 1.104 9.026 1.00 0.00 H new ATOM 0 HA HIS A 92 5.671 -0.443 10.584 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.248 0.042 11.048 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.800 -0.997 9.710 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.857 -3.155 10.722 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.814 -4.037 13.576 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.704 -4.900 12.407 1.00 0.00 H new ATOM 1521 N VAL A 93 4.627 -1.746 7.736 1.00 0.00 N ATOM 1522 CA VAL A 93 4.896 -2.752 6.706 1.00 0.00 C ATOM 1523 C VAL A 93 6.200 -2.438 5.977 1.00 0.00 C ATOM 1524 O VAL A 93 6.903 -3.374 5.629 1.00 0.00 O ATOM 1525 CB VAL A 93 3.702 -2.928 5.757 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.654 -2.005 4.528 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.555 -4.405 5.404 1.00 0.00 C ATOM 0 H VAL A 93 3.923 -1.056 7.473 1.00 0.00 H new ATOM 0 HA VAL A 93 5.029 -3.718 7.193 1.00 0.00 H new ATOM 0 HB VAL A 93 2.828 -2.587 6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.764 -2.229 3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.621 -0.966 4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.543 -2.165 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.708 -4.536 4.730 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.465 -4.755 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.387 -4.982 6.314 1.00 0.00 H new ATOM 1537 N PHE A 94 6.502 -1.157 5.776 1.00 0.00 N ATOM 1538 CA PHE A 94 7.737 -0.667 5.140 1.00 0.00 C ATOM 1539 C PHE A 94 8.995 -1.399 5.623 1.00 0.00 C ATOM 1540 O PHE A 94 9.909 -1.565 4.836 1.00 0.00 O ATOM 1541 CB PHE A 94 7.860 0.837 5.393 1.00 0.00 C ATOM 1542 CG PHE A 94 8.974 1.502 4.604 1.00 0.00 C ATOM 1543 CD1 PHE A 94 8.798 1.731 3.244 1.00 0.00 C ATOM 1544 CD2 PHE A 94 10.159 1.884 5.236 1.00 0.00 C ATOM 1545 CE1 PHE A 94 9.795 2.344 2.516 1.00 0.00 C ATOM 1546 CE2 PHE A 94 11.152 2.499 4.507 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.976 2.733 3.141 1.00 0.00 C ATOM 0 H PHE A 94 5.877 -0.402 6.058 1.00 0.00 H new ATOM 0 HA PHE A 94 7.664 -0.870 4.071 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.914 1.317 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.031 1.004 6.456 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.882 1.429 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.296 1.698 6.291 1.00 0.00 H new ATOM 0 HE1 PHE A 94 9.660 2.523 1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.068 2.801 4.992 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.756 3.215 2.570 1.00 0.00 H new ATOM 1557 N ARG A 95 8.980 -1.856 6.878 1.00 0.00 N ATOM 1558 CA ARG A 95 9.996 -2.758 7.457 1.00 0.00 C ATOM 1559 C ARG A 95 9.788 -4.266 7.216 1.00 0.00 C ATOM 1560 O ARG A 95 10.720 -4.981 6.850 1.00 0.00 O ATOM 1561 CB ARG A 95 10.074 -2.474 8.951 1.00 0.00 C ATOM 1562 CG ARG A 95 11.379 -1.748 9.251 1.00 0.00 C ATOM 1563 CD ARG A 95 11.241 -1.019 10.582 1.00 0.00 C ATOM 1564 NE ARG A 95 12.313 -1.424 11.502 1.00 0.00 N ATOM 1565 CZ ARG A 95 12.521 -0.898 12.711 1.00 0.00 C ATOM 1566 NH1 ARG A 95 11.766 0.092 13.175 1.00 0.00 N ATOM 1567 NH2 ARG A 95 13.507 -1.343 13.471 1.00 0.00 N ATOM 0 H ARG A 95 8.246 -1.607 7.541 1.00 0.00 H new ATOM 0 HA ARG A 95 10.927 -2.539 6.935 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.225 -1.866 9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.024 -3.406 9.514 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.205 -2.458 9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 95 11.608 -1.040 8.455 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.280 0.058 10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.270 -1.239 11.026 1.00 0.00 H new ATOM 0 HE ARG A 95 12.946 -2.162 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.008 0.466 12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.944 0.478 14.102 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.113 -2.091 13.134 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.662 -0.938 14.394 1.00 0.00 H new ATOM 1581 N ARG A 96 8.540 -4.710 7.303 1.00 0.00 N ATOM 1582 CA ARG A 96 8.116 -6.107 7.054 1.00 0.00 C ATOM 1583 C ARG A 96 8.310 -6.510 5.585 1.00 0.00 C ATOM 1584 O ARG A 96 9.219 -7.264 5.243 1.00 0.00 O ATOM 1585 CB ARG A 96 6.644 -6.287 7.451 1.00 0.00 C ATOM 1586 CG ARG A 96 6.400 -6.058 8.940 1.00 0.00 C ATOM 1587 CD ARG A 96 7.141 -7.097 9.786 1.00 0.00 C ATOM 1588 NE ARG A 96 6.771 -6.896 11.196 1.00 0.00 N ATOM 1589 CZ ARG A 96 7.257 -5.971 12.024 1.00 0.00 C ATOM 1590 NH1 ARG A 96 8.206 -5.128 11.632 1.00 0.00 N ATOM 1591 NH2 ARG A 96 6.800 -5.874 13.261 1.00 0.00 N ATOM 0 H ARG A 96 7.762 -4.100 7.555 1.00 0.00 H new ATOM 0 HA ARG A 96 8.745 -6.756 7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.030 -5.594 6.876 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.321 -7.294 7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.731 -5.057 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.331 -6.110 9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.878 -8.105 9.465 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.218 -6.992 9.658 1.00 0.00 H new ATOM 0 HE ARG A 96 6.070 -7.530 11.580 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.576 -5.182 10.683 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.565 -4.427 12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.071 -6.509 13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.176 -5.164 13.889 1.00 0.00 H new ATOM 1605 N ILE A 97 7.560 -5.842 4.714 1.00 0.00 N ATOM 1606 CA ILE A 97 7.691 -5.969 3.249 1.00 0.00 C ATOM 1607 C ILE A 97 9.053 -5.478 2.728 1.00 0.00 C ATOM 1608 O ILE A 97 9.390 -5.794 1.592 1.00 0.00 O ATOM 1609 CB ILE A 97 6.554 -5.274 2.481 1.00 0.00 C ATOM 1610 CG1 ILE A 97 6.435 -3.793 2.825 1.00 0.00 C ATOM 1611 CG2 ILE A 97 5.225 -5.966 2.764 1.00 0.00 C ATOM 1612 CD1 ILE A 97 6.393 -2.896 1.597 1.00 0.00 C ATOM 0 H ILE A 97 6.832 -5.187 5.000 1.00 0.00 H new ATOM 0 HA ILE A 97 7.620 -7.039 3.056 1.00 0.00 H new ATOM 0 HB ILE A 97 6.799 -5.350 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.532 -3.635 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 97 7.279 -3.503 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.429 -5.464 2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.283 -7.008 2.448 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.012 -5.922 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.308 -1.855 1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.308 -3.028 1.019 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.533 -3.162 0.982 1.00 0.00 H new ATOM 1624 N SER A 98 9.803 -4.744 3.562 1.00 0.00 N ATOM 1625 CA SER A 98 11.169 -4.263 3.248 1.00 0.00 C ATOM 1626 C SER A 98 12.072 -5.434 2.867 1.00 0.00 C ATOM 1627 O SER A 98 12.456 -5.532 1.713 1.00 0.00 O ATOM 1628 CB SER A 98 11.866 -3.582 4.428 1.00 0.00 C ATOM 1629 OG SER A 98 12.587 -2.431 3.996 1.00 0.00 O ATOM 0 H SER A 98 9.480 -4.460 4.487 1.00 0.00 H new ATOM 0 HA SER A 98 11.031 -3.548 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.127 -3.294 5.175 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.548 -4.284 4.908 1.00 0.00 H new ATOM 0 HG SER A 98 12.024 -1.635 4.097 1.00 0.00 H new ATOM 1635 N LYS A 99 12.230 -6.393 3.780 1.00 0.00 N ATOM 1636 CA LYS A 99 13.072 -7.592 3.587 1.00 0.00 C ATOM 1637 C LYS A 99 12.853 -8.642 4.684 1.00 0.00 C ATOM 1638 O LYS A 99 13.789 -9.147 5.300 1.00 0.00 O ATOM 1639 CB LYS A 99 14.570 -7.258 3.436 1.00 0.00 C ATOM 1640 CG LYS A 99 14.878 -7.075 1.953 1.00 0.00 C ATOM 1641 CD LYS A 99 16.347 -7.107 1.559 1.00 0.00 C ATOM 1642 CE LYS A 99 16.361 -7.147 0.033 1.00 0.00 C ATOM 1643 NZ LYS A 99 17.610 -6.588 -0.485 1.00 0.00 N ATOM 0 H LYS A 99 11.773 -6.366 4.691 1.00 0.00 H new ATOM 0 HA LYS A 99 12.745 -8.026 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.813 -6.350 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.181 -8.058 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.358 -7.855 1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 99 14.459 -6.121 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 99 16.873 -6.228 1.933 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.847 -7.980 1.979 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.246 -8.175 -0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 99 15.514 -6.584 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.602 -6.624 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.704 -5.600 -0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.414 -7.142 -0.126 1.00 0.00 H new ATOM 1657 N GLN A 100 11.579 -8.969 4.919 1.00 0.00 N ATOM 1658 CA GLN A 100 11.191 -10.016 5.892 1.00 0.00 C ATOM 1659 C GLN A 100 12.018 -11.310 5.727 1.00 0.00 C ATOM 1660 O GLN A 100 11.850 -11.982 4.685 1.00 0.00 O ATOM 1661 CB GLN A 100 9.674 -10.252 5.791 1.00 0.00 C ATOM 1662 CG GLN A 100 9.104 -11.362 6.686 1.00 0.00 C ATOM 1663 CD GLN A 100 9.051 -12.700 5.943 1.00 0.00 C ATOM 1664 OE1 GLN A 100 8.307 -12.879 4.985 1.00 0.00 O ATOM 1665 NE2 GLN A 100 9.864 -13.655 6.332 1.00 0.00 N ATOM 1666 OXT GLN A 100 12.849 -11.557 6.627 1.00 99.99 O ATOM 0 H GLN A 100 10.789 -8.526 4.450 1.00 0.00 H new ATOM 0 HA GLN A 100 11.420 -9.671 6.900 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.164 -9.320 6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.431 -10.488 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 100 9.719 -11.464 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.103 -11.087 7.018 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.483 -13.505 7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.877 -14.547 5.837 1.00 0.00 H new TER 1675 GLN A 100