USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 778 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 52 THR OG1 : rot -15:sc= -0.584 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -1.01 K(o=-1.6,f=-2.7!) USER MOD Set 2.1: A 38 THR OG1 : rot -35:sc= 0.28 USER MOD Set 2.2: A 41 ASN :FLIP amide:sc= -0.101 F(o=-0.71!,f=0.18) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.215 K(o=-0.22,f=-2.6!) USER MOD Single : A 3 THR OG1 : rot -110:sc= -0.656 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.996 F(o=-4!,f=-1) USER MOD Single : A 14 ASN :FLIP amide:sc= -0.047 F(o=-2!,f=-0.047) USER MOD Single : A 16 HIS : no HD1:sc= 0.137 K(o=0.14,f=-5.9!) USER MOD Single : A 20 THR OG1 : rot 33:sc= 0.00745 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.265 X(o=-0.27,f=-0.7) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.211 F(o=-3.7!,f=-0.21) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0.21 K(o=0.21,f=-0.47) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.107) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0192) USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= -1.56 (180deg=-4.65!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.39) USER MOD Single : A 75 MET CE :methyl -108:sc= -3.07! (180deg=-8.38!) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 1.17 (180deg=1.08) USER MOD Single : A 80 SER OG : rot 40:sc= 0.0523 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.938 19.698 4.532 1.00 0.00 N ATOM 2 CA SER A 1 -1.105 18.873 3.321 1.00 0.00 C ATOM 3 C SER A 1 -2.449 18.152 3.357 1.00 0.00 C ATOM 4 O SER A 1 -2.686 17.302 4.220 1.00 0.00 O ATOM 5 CB SER A 1 0.038 17.857 3.214 1.00 0.00 C ATOM 6 OG SER A 1 -0.057 17.089 2.021 1.00 0.00 O ATOM 0 H1 SER A 1 -0.019 20.184 4.497 1.00 0.00 H new ATOM 0 H2 SER A 1 -1.701 20.403 4.580 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.975 19.089 5.375 1.00 0.00 H new ATOM 0 HA SER A 1 -1.080 19.523 2.446 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.994 18.380 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 1 0.018 17.193 4.078 1.00 0.00 H new ATOM 0 HG SER A 1 0.687 16.452 1.982 1.00 0.00 H new ATOM 11 N ASN A 2 -3.332 18.501 2.428 1.00 0.00 N ATOM 12 CA ASN A 2 -4.634 17.853 2.336 1.00 0.00 C ATOM 13 C ASN A 2 -4.495 16.538 1.587 1.00 0.00 C ATOM 14 O ASN A 2 -4.848 16.418 0.412 1.00 0.00 O ATOM 15 CB ASN A 2 -5.644 18.743 1.624 1.00 0.00 C ATOM 16 CG ASN A 2 -7.080 18.280 1.822 1.00 0.00 C ATOM 17 OD1 ASN A 2 -7.352 17.092 1.995 1.00 0.00 O ATOM 18 ND2 ASN A 2 -8.015 19.217 1.798 1.00 0.00 N ATOM 0 H ASN A 2 -3.170 19.227 1.730 1.00 0.00 H new ATOM 0 HA ASN A 2 -4.997 17.668 3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -5.543 19.765 1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -5.417 18.762 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -8.995 18.963 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.756 20.193 1.652 1.00 0.00 H new ATOM 25 N THR A 3 -3.932 15.578 2.276 1.00 0.00 N ATOM 26 CA THR A 3 -3.767 14.235 1.759 1.00 0.00 C ATOM 27 C THR A 3 -5.101 13.493 1.792 1.00 0.00 C ATOM 28 O THR A 3 -5.947 13.755 2.650 1.00 0.00 O ATOM 29 CB THR A 3 -2.707 13.465 2.577 1.00 0.00 C ATOM 30 OG1 THR A 3 -2.642 12.104 2.152 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.007 13.520 4.068 1.00 0.00 C ATOM 0 H THR A 3 -3.570 15.704 3.221 1.00 0.00 H new ATOM 0 HA THR A 3 -3.424 14.300 0.726 1.00 0.00 H new ATOM 0 HB THR A 3 -1.745 13.946 2.402 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.005 11.524 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.242 12.968 4.614 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.012 14.558 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.982 13.073 4.260 1.00 0.00 H new ATOM 39 N ARG A 4 -5.297 12.573 0.857 1.00 0.00 N ATOM 40 CA ARG A 4 -6.568 11.892 0.763 1.00 0.00 C ATOM 41 C ARG A 4 -6.622 10.641 1.610 1.00 0.00 C ATOM 42 O ARG A 4 -5.611 9.986 1.884 1.00 0.00 O ATOM 43 CB ARG A 4 -6.918 11.592 -0.695 1.00 0.00 C ATOM 44 CG ARG A 4 -5.848 10.865 -1.496 1.00 0.00 C ATOM 45 CD ARG A 4 -5.971 11.243 -2.955 1.00 0.00 C ATOM 46 NE ARG A 4 -7.354 11.109 -3.419 1.00 0.00 N ATOM 47 CZ ARG A 4 -8.054 12.095 -3.977 1.00 0.00 C ATOM 48 NH1 ARG A 4 -7.474 13.253 -4.255 1.00 0.00 N ATOM 49 NH2 ARG A 4 -9.338 11.921 -4.259 1.00 0.00 N ATOM 0 H ARG A 4 -4.602 12.289 0.167 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.322 12.569 1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.829 10.994 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.144 12.533 -1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.858 11.127 -1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -5.958 9.787 -1.377 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.634 12.270 -3.098 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.320 10.607 -3.555 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.810 10.203 -3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.486 13.393 -4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.015 14.005 -4.682 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.790 11.031 -4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.873 12.677 -4.686 1.00 0.00 H new ATOM 63 N ASN A 5 -7.842 10.342 2.019 1.00 0.00 N ATOM 64 CA ASN A 5 -8.100 9.366 3.056 1.00 0.00 C ATOM 65 C ASN A 5 -8.632 8.084 2.457 1.00 0.00 C ATOM 66 O ASN A 5 -9.492 8.101 1.577 1.00 0.00 O ATOM 67 CB ASN A 5 -9.121 9.887 4.079 1.00 0.00 C ATOM 68 CG ASN A 5 -8.636 11.049 4.931 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.888 11.969 4.341 1.00 0.00 O flip ATOM 70 ND2 ASN A 5 -8.965 11.132 6.115 1.00 0.00 N flip ATOM 0 H ASN A 5 -8.684 10.773 1.638 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.152 9.179 3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.021 10.196 3.548 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.405 9.066 4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.542 10.404 6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.660 11.929 6.674 1.00 0.00 H new ATOM 77 N PHE A 6 -8.120 6.980 2.944 1.00 0.00 N ATOM 78 CA PHE A 6 -8.566 5.675 2.518 1.00 0.00 C ATOM 79 C PHE A 6 -8.936 4.854 3.726 1.00 0.00 C ATOM 80 O PHE A 6 -8.124 4.646 4.614 1.00 0.00 O ATOM 81 CB PHE A 6 -7.471 4.960 1.726 1.00 0.00 C ATOM 82 CG PHE A 6 -7.077 5.676 0.472 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.335 6.846 0.526 1.00 0.00 C ATOM 84 CD2 PHE A 6 -7.441 5.174 -0.761 1.00 0.00 C ATOM 85 CE1 PHE A 6 -5.972 7.501 -0.627 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.081 5.825 -1.919 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.343 6.991 -1.851 1.00 0.00 C ATOM 0 H PHE A 6 -7.382 6.960 3.647 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.436 5.796 1.872 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.592 4.844 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -7.814 3.958 1.470 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.039 7.247 1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.014 4.261 -0.818 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.397 8.414 -0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.375 5.425 -2.878 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.057 7.503 -2.758 1.00 0.00 H new ATOM 97 N VAL A 7 -10.157 4.398 3.762 1.00 0.00 N ATOM 98 CA VAL A 7 -10.604 3.576 4.859 1.00 0.00 C ATOM 99 C VAL A 7 -10.507 2.123 4.452 1.00 0.00 C ATOM 100 O VAL A 7 -10.955 1.729 3.371 1.00 0.00 O ATOM 101 CB VAL A 7 -12.026 3.956 5.338 1.00 0.00 C ATOM 102 CG1 VAL A 7 -12.878 4.474 4.191 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.711 2.786 6.030 1.00 0.00 C ATOM 0 H VAL A 7 -10.862 4.579 3.047 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.955 3.749 5.718 1.00 0.00 H new ATOM 0 HB VAL A 7 -11.916 4.760 6.066 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -13.870 4.732 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.410 5.360 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.966 3.703 3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.707 3.087 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.792 1.950 5.336 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.124 2.482 6.897 1.00 0.00 H new ATOM 113 N LEU A 8 -9.865 1.349 5.303 1.00 0.00 N ATOM 114 CA LEU A 8 -9.525 -0.020 4.981 1.00 0.00 C ATOM 115 C LEU A 8 -10.778 -0.868 4.840 1.00 0.00 C ATOM 116 O LEU A 8 -11.724 -0.742 5.615 1.00 0.00 O ATOM 117 CB LEU A 8 -8.615 -0.612 6.052 1.00 0.00 C ATOM 118 CG LEU A 8 -7.973 -1.949 5.676 1.00 0.00 C ATOM 119 CD1 LEU A 8 -6.662 -1.723 4.934 1.00 0.00 C ATOM 120 CD2 LEU A 8 -7.765 -2.806 6.912 1.00 0.00 C ATOM 0 H LEU A 8 -9.566 1.649 6.231 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.995 -0.020 4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.825 0.105 6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.192 -0.746 6.967 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.648 -2.483 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.220 -2.685 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.852 -1.154 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.974 -1.168 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.308 -3.753 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.111 -2.284 7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.727 -2.997 7.388 1.00 0.00 H new ATOM 132 N ARG A 9 -10.766 -1.743 3.858 1.00 0.00 N ATOM 133 CA ARG A 9 -11.876 -2.631 3.594 1.00 0.00 C ATOM 134 C ARG A 9 -11.720 -3.958 4.316 1.00 0.00 C ATOM 135 O ARG A 9 -10.683 -4.266 4.903 1.00 0.00 O ATOM 136 CB ARG A 9 -12.043 -2.906 2.106 1.00 0.00 C ATOM 137 CG ARG A 9 -13.399 -2.500 1.570 1.00 0.00 C ATOM 138 CD ARG A 9 -13.733 -3.255 0.294 1.00 0.00 C ATOM 139 NE ARG A 9 -13.855 -4.698 0.521 1.00 0.00 N ATOM 140 CZ ARG A 9 -14.328 -5.564 -0.379 1.00 0.00 C ATOM 141 NH1 ARG A 9 -14.727 -5.151 -1.574 1.00 0.00 N ATOM 142 NH2 ARG A 9 -14.410 -6.853 -0.083 1.00 0.00 N ATOM 0 H ARG A 9 -9.981 -1.859 3.217 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.763 -2.118 3.966 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.268 -2.372 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.890 -3.969 1.921 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.164 -2.695 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.410 -1.428 1.375 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -14.667 -2.873 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.958 -3.070 -0.449 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.559 -5.065 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.675 -4.161 -1.815 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -15.086 -5.823 -2.252 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.112 -7.186 0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.772 -7.512 -0.772 1.00 0.00 H new ATOM 156 N ASP A 10 -12.786 -4.722 4.240 1.00 0.00 N ATOM 157 CA ASP A 10 -12.830 -6.043 4.844 1.00 0.00 C ATOM 158 C ASP A 10 -13.289 -7.043 3.809 1.00 0.00 C ATOM 159 O ASP A 10 -13.723 -6.660 2.719 1.00 0.00 O ATOM 160 CB ASP A 10 -13.747 -6.083 6.062 1.00 0.00 C ATOM 161 CG ASP A 10 -13.659 -7.372 6.850 1.00 0.00 C ATOM 162 OD1 ASP A 10 -12.730 -7.511 7.670 1.00 0.00 O ATOM 163 OD2 ASP A 10 -14.527 -8.243 6.651 1.00 0.00 O ATOM 0 H ASP A 10 -13.645 -4.451 3.761 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.828 -6.296 5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.500 -5.249 6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.777 -5.937 5.735 1.00 0.00 H new ATOM 168 N GLU A 11 -13.183 -8.302 4.147 1.00 0.00 N ATOM 169 CA GLU A 11 -13.570 -9.379 3.243 1.00 0.00 C ATOM 170 C GLU A 11 -15.058 -9.303 2.902 1.00 0.00 C ATOM 171 O GLU A 11 -15.460 -9.556 1.766 1.00 0.00 O ATOM 172 CB GLU A 11 -13.202 -10.733 3.840 1.00 0.00 C ATOM 173 CG GLU A 11 -13.775 -10.968 5.220 1.00 0.00 C ATOM 174 CD GLU A 11 -13.150 -12.160 5.901 1.00 0.00 C ATOM 175 OE1 GLU A 11 -13.599 -13.298 5.651 1.00 0.00 O ATOM 176 OE2 GLU A 11 -12.194 -11.962 6.682 1.00 0.00 O ATOM 0 H GLU A 11 -12.829 -8.619 5.050 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.018 -9.261 2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.551 -11.521 3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.116 -10.815 3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.620 -10.079 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.852 -11.119 5.144 1.00 0.00 H new ATOM 183 N ASP A 12 -15.865 -8.909 3.875 1.00 0.00 N ATOM 184 CA ASP A 12 -17.289 -8.690 3.632 1.00 0.00 C ATOM 185 C ASP A 12 -17.491 -7.316 3.005 1.00 0.00 C ATOM 186 O ASP A 12 -18.296 -7.130 2.098 1.00 0.00 O ATOM 187 CB ASP A 12 -18.066 -8.783 4.948 1.00 0.00 C ATOM 188 CG ASP A 12 -19.540 -8.476 4.781 1.00 0.00 C ATOM 189 OD1 ASP A 12 -20.307 -9.393 4.424 1.00 0.00 O ATOM 190 OD2 ASP A 12 -19.940 -7.318 5.015 1.00 0.00 O ATOM 0 H ASP A 12 -15.565 -8.735 4.834 1.00 0.00 H new ATOM 0 HA ASP A 12 -17.660 -9.456 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.953 -9.785 5.362 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.634 -8.089 5.670 1.00 0.00 H new ATOM 195 N GLY A 13 -16.716 -6.371 3.504 1.00 0.00 N ATOM 196 CA GLY A 13 -16.726 -5.021 2.973 1.00 0.00 C ATOM 197 C GLY A 13 -17.048 -4.014 4.050 1.00 0.00 C ATOM 198 O GLY A 13 -17.633 -2.965 3.796 1.00 0.00 O ATOM 0 H GLY A 13 -16.069 -6.515 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -15.754 -4.792 2.536 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -17.461 -4.948 2.171 1.00 0.00 H new ATOM 202 N ASN A 14 -16.638 -4.356 5.258 1.00 0.00 N ATOM 203 CA ASN A 14 -16.730 -3.460 6.398 1.00 0.00 C ATOM 204 C ASN A 14 -15.609 -2.429 6.304 1.00 0.00 C ATOM 205 O ASN A 14 -14.908 -2.360 5.291 1.00 0.00 O ATOM 206 CB ASN A 14 -16.631 -4.236 7.716 1.00 0.00 C ATOM 207 CG ASN A 14 -17.880 -5.041 8.046 1.00 0.00 C ATOM 208 OD1 ASN A 14 -18.627 -5.443 7.032 1.00 0.00 O flip ATOM 209 ND2 ASN A 14 -18.176 -5.290 9.216 1.00 0.00 N flip ATOM 0 H ASN A 14 -16.231 -5.265 5.477 1.00 0.00 H new ATOM 0 HA ASN A 14 -17.698 -2.958 6.383 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -15.777 -4.911 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -16.437 -3.534 8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -17.576 -4.964 9.974 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -19.021 -5.822 9.426 1.00 0.00 H new ATOM 216 N GLU A 15 -15.416 -1.660 7.357 1.00 0.00 N ATOM 217 CA GLU A 15 -14.537 -0.521 7.308 1.00 0.00 C ATOM 218 C GLU A 15 -13.594 -0.506 8.501 1.00 0.00 C ATOM 219 O GLU A 15 -13.999 -0.263 9.639 1.00 0.00 O ATOM 220 CB GLU A 15 -15.376 0.741 7.254 1.00 0.00 C ATOM 221 CG GLU A 15 -15.943 1.007 5.870 1.00 0.00 C ATOM 222 CD GLU A 15 -17.070 2.014 5.881 1.00 0.00 C ATOM 223 OE1 GLU A 15 -16.836 3.172 6.276 1.00 0.00 O ATOM 224 OE2 GLU A 15 -18.204 1.647 5.500 1.00 0.00 O ATOM 0 H GLU A 15 -15.863 -1.810 8.262 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.916 -0.579 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -16.195 0.659 7.969 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.767 1.591 7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.146 1.368 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.303 0.071 5.444 1.00 0.00 H new ATOM 231 N HIS A 16 -12.337 -0.781 8.215 1.00 0.00 N ATOM 232 CA HIS A 16 -11.288 -0.819 9.217 1.00 0.00 C ATOM 233 C HIS A 16 -10.658 0.559 9.364 1.00 0.00 C ATOM 234 O HIS A 16 -11.261 1.562 8.972 1.00 0.00 O ATOM 235 CB HIS A 16 -10.228 -1.849 8.839 1.00 0.00 C ATOM 236 CG HIS A 16 -10.691 -3.273 8.908 1.00 0.00 C ATOM 237 ND1 HIS A 16 -10.419 -4.102 9.972 1.00 0.00 N ATOM 238 CD2 HIS A 16 -11.387 -4.023 8.027 1.00 0.00 C ATOM 239 CE1 HIS A 16 -10.927 -5.295 9.735 1.00 0.00 C ATOM 240 NE2 HIS A 16 -11.518 -5.273 8.565 1.00 0.00 N ATOM 0 H HIS A 16 -12.011 -0.987 7.271 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.726 -1.110 10.172 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.883 -1.641 7.826 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -9.370 -1.727 9.500 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.770 -3.695 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.866 -6.148 10.395 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.997 -6.060 8.128 1.00 0.00 H new ATOM 249 N GLY A 17 -9.469 0.605 9.956 1.00 0.00 N ATOM 250 CA GLY A 17 -8.780 1.863 10.182 1.00 0.00 C ATOM 251 C GLY A 17 -8.727 2.752 8.952 1.00 0.00 C ATOM 252 O GLY A 17 -8.624 2.271 7.821 1.00 0.00 O ATOM 0 H GLY A 17 -8.965 -0.218 10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.278 2.401 10.989 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.763 1.657 10.516 1.00 0.00 H new ATOM 256 N VAL A 18 -8.826 4.053 9.178 1.00 0.00 N ATOM 257 CA VAL A 18 -8.684 5.036 8.117 1.00 0.00 C ATOM 258 C VAL A 18 -7.203 5.324 7.891 1.00 0.00 C ATOM 259 O VAL A 18 -6.418 5.350 8.842 1.00 0.00 O ATOM 260 CB VAL A 18 -9.419 6.349 8.470 1.00 0.00 C ATOM 261 CG1 VAL A 18 -9.193 7.408 7.402 1.00 0.00 C ATOM 262 CG2 VAL A 18 -10.906 6.093 8.661 1.00 0.00 C ATOM 0 H VAL A 18 -9.006 4.455 10.098 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.130 4.630 7.209 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.007 6.723 9.407 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.722 8.321 7.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.127 7.618 7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.568 7.046 6.445 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.407 7.029 8.909 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.327 5.689 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.051 5.378 9.471 1.00 0.00 H new ATOM 272 N PHE A 19 -6.817 5.544 6.649 1.00 0.00 N ATOM 273 CA PHE A 19 -5.430 5.774 6.306 1.00 0.00 C ATOM 274 C PHE A 19 -5.327 7.064 5.519 1.00 0.00 C ATOM 275 O PHE A 19 -6.213 7.389 4.735 1.00 0.00 O ATOM 276 CB PHE A 19 -4.878 4.627 5.447 1.00 0.00 C ATOM 277 CG PHE A 19 -4.669 3.335 6.182 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.736 2.651 6.736 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.399 2.808 6.315 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.542 1.464 7.413 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.191 1.622 6.990 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.268 0.947 7.541 1.00 0.00 C ATOM 0 H PHE A 19 -7.455 5.568 5.853 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.849 5.833 7.227 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.563 4.450 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.928 4.940 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.734 3.051 6.637 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.558 3.331 5.885 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.384 0.941 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.193 1.222 7.088 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.112 0.018 8.070 1.00 0.00 H new ATOM 292 N THR A 20 -4.273 7.807 5.743 1.00 0.00 N ATOM 293 CA THR A 20 -3.975 8.947 4.901 1.00 0.00 C ATOM 294 C THR A 20 -2.609 8.768 4.300 1.00 0.00 C ATOM 295 O THR A 20 -1.667 8.389 4.997 1.00 0.00 O ATOM 296 CB THR A 20 -4.024 10.283 5.659 1.00 0.00 C ATOM 297 OG1 THR A 20 -3.217 10.217 6.843 1.00 0.00 O ATOM 298 CG2 THR A 20 -5.449 10.634 6.027 1.00 0.00 C ATOM 0 H THR A 20 -3.606 7.647 6.498 1.00 0.00 H new ATOM 0 HA THR A 20 -4.743 8.989 4.129 1.00 0.00 H new ATOM 0 HB THR A 20 -3.629 11.060 5.005 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.444 9.637 6.680 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.463 11.583 6.563 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.048 10.720 5.121 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.864 9.852 6.663 1.00 0.00 H new ATOM 306 N GLY A 21 -2.489 9.034 3.021 1.00 0.00 N ATOM 307 CA GLY A 21 -1.214 8.828 2.366 1.00 0.00 C ATOM 308 C GLY A 21 -0.890 9.963 1.433 1.00 0.00 C ATOM 309 O GLY A 21 -0.129 10.868 1.781 1.00 0.00 O ATOM 0 H GLY A 21 -3.237 9.385 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.428 8.735 3.116 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.236 7.891 1.809 1.00 0.00 H new ATOM 313 N LYS A 22 -1.513 9.929 0.267 1.00 0.00 N ATOM 314 CA LYS A 22 -1.385 10.968 -0.745 1.00 0.00 C ATOM 315 C LYS A 22 -2.107 10.502 -1.995 1.00 0.00 C ATOM 316 O LYS A 22 -2.696 11.287 -2.731 1.00 0.00 O ATOM 317 CB LYS A 22 0.082 11.265 -1.050 1.00 0.00 C ATOM 318 CG LYS A 22 0.283 12.306 -2.135 1.00 0.00 C ATOM 319 CD LYS A 22 1.587 13.061 -1.945 1.00 0.00 C ATOM 320 CE LYS A 22 2.790 12.131 -1.920 1.00 0.00 C ATOM 321 NZ LYS A 22 4.065 12.877 -1.765 1.00 0.00 N ATOM 0 H LYS A 22 -2.132 9.167 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.829 11.893 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.571 11.606 -0.138 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.575 10.341 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.281 11.821 -3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.550 13.008 -2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.706 13.785 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.546 13.625 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.683 11.421 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.819 11.550 -2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.860 12.207 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.180 13.536 -2.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.048 13.411 -0.873 1.00 0.00 H new ATOM 335 N GLN A 23 -2.067 9.195 -2.200 1.00 0.00 N ATOM 336 CA GLN A 23 -2.766 8.558 -3.297 1.00 0.00 C ATOM 337 C GLN A 23 -2.949 7.077 -2.986 1.00 0.00 C ATOM 338 O GLN A 23 -2.331 6.587 -2.042 1.00 0.00 O ATOM 339 CB GLN A 23 -1.998 8.758 -4.611 1.00 0.00 C ATOM 340 CG GLN A 23 -0.524 8.381 -4.538 1.00 0.00 C ATOM 341 CD GLN A 23 0.194 8.613 -5.853 1.00 0.00 C ATOM 342 OE1 GLN A 23 -0.192 9.474 -6.641 1.00 0.00 O ATOM 343 NE2 GLN A 23 1.256 7.864 -6.088 1.00 0.00 N ATOM 0 H GLN A 23 -1.547 8.548 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.748 9.015 -3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.475 8.164 -5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.080 9.803 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.040 8.964 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.433 7.332 -4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.544 7.160 -5.408 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.788 7.990 -6.949 1.00 0.00 H new ATOM 352 N PRO A 24 -3.801 6.356 -3.734 1.00 0.00 N ATOM 353 CA PRO A 24 -4.027 4.904 -3.546 1.00 0.00 C ATOM 354 C PRO A 24 -2.734 4.084 -3.382 1.00 0.00 C ATOM 355 O PRO A 24 -2.722 3.038 -2.740 1.00 0.00 O ATOM 356 CB PRO A 24 -4.751 4.519 -4.831 1.00 0.00 C ATOM 357 CG PRO A 24 -5.532 5.735 -5.189 1.00 0.00 C ATOM 358 CD PRO A 24 -4.668 6.907 -4.800 1.00 0.00 C ATOM 0 HA PRO A 24 -4.577 4.697 -2.628 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.048 4.251 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.402 3.658 -4.679 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.760 5.754 -6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.484 5.758 -4.659 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.083 7.273 -5.644 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.265 7.744 -4.439 1.00 0.00 H new ATOM 366 N ARG A 25 -1.638 4.633 -3.866 1.00 0.00 N ATOM 367 CA ARG A 25 -0.364 3.933 -3.842 1.00 0.00 C ATOM 368 C ARG A 25 0.352 4.214 -2.522 1.00 0.00 C ATOM 369 O ARG A 25 1.014 3.348 -1.967 1.00 0.00 O ATOM 370 CB ARG A 25 0.522 4.347 -5.014 1.00 0.00 C ATOM 371 CG ARG A 25 1.886 3.672 -4.982 1.00 0.00 C ATOM 372 CD ARG A 25 2.760 4.068 -6.162 1.00 0.00 C ATOM 373 NE ARG A 25 2.359 3.399 -7.399 1.00 0.00 N ATOM 374 CZ ARG A 25 3.129 2.524 -8.047 1.00 0.00 C ATOM 375 NH1 ARG A 25 4.323 2.192 -7.560 1.00 0.00 N ATOM 376 NH2 ARG A 25 2.707 1.976 -9.179 1.00 0.00 N ATOM 0 H ARG A 25 -1.601 5.564 -4.282 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.561 2.865 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.020 4.100 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.655 5.429 -5.000 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.395 3.932 -4.054 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.752 2.590 -4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.709 5.148 -6.303 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.799 3.824 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 25 1.440 3.613 -7.787 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.652 2.607 -6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.909 1.522 -8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.792 2.224 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.298 1.307 -9.673 1.00 0.00 H new ATOM 390 N GLN A 26 0.183 5.433 -2.018 1.00 0.00 N ATOM 391 CA GLN A 26 0.823 5.867 -0.781 1.00 0.00 C ATOM 392 C GLN A 26 -0.025 5.482 0.425 1.00 0.00 C ATOM 393 O GLN A 26 0.450 5.502 1.556 1.00 0.00 O ATOM 394 CB GLN A 26 1.023 7.387 -0.792 1.00 0.00 C ATOM 395 CG GLN A 26 1.929 7.891 -1.904 1.00 0.00 C ATOM 396 CD GLN A 26 3.398 7.824 -1.576 1.00 0.00 C ATOM 397 OE1 GLN A 26 3.788 6.840 -0.805 1.00 0.00 O flip ATOM 398 NE2 GLN A 26 4.183 8.647 -2.040 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.401 6.146 -2.455 1.00 0.00 H new ATOM 0 HA GLN A 26 1.792 5.373 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.050 7.869 -0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.440 7.694 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.741 7.306 -2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.665 8.923 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.839 9.399 -2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.178 8.578 -1.828 1.00 0.00 H new ATOM 407 N ALA A 27 -1.278 5.121 0.178 1.00 0.00 N ATOM 408 CA ALA A 27 -2.184 4.738 1.250 1.00 0.00 C ATOM 409 C ALA A 27 -2.081 3.245 1.490 1.00 0.00 C ATOM 410 O ALA A 27 -1.964 2.789 2.626 1.00 0.00 O ATOM 411 CB ALA A 27 -3.607 5.126 0.908 1.00 0.00 C ATOM 0 H ALA A 27 -1.688 5.086 -0.755 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.902 5.265 2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.270 4.831 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.666 6.205 0.765 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.911 4.621 -0.009 1.00 0.00 H new ATOM 417 N ALA A 28 -2.135 2.484 0.400 1.00 0.00 N ATOM 418 CA ALA A 28 -1.819 1.068 0.446 1.00 0.00 C ATOM 419 C ALA A 28 -0.414 0.880 0.993 1.00 0.00 C ATOM 420 O ALA A 28 -0.135 -0.054 1.743 1.00 0.00 O ATOM 421 CB ALA A 28 -1.937 0.462 -0.938 1.00 0.00 C ATOM 0 H ALA A 28 -2.395 2.829 -0.524 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.525 0.561 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.698 -0.600 -0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.955 0.589 -1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.243 0.961 -1.614 1.00 0.00 H new ATOM 427 N LEU A 29 0.459 1.799 0.603 1.00 0.00 N ATOM 428 CA LEU A 29 1.802 1.880 1.142 1.00 0.00 C ATOM 429 C LEU A 29 1.740 1.845 2.668 1.00 0.00 C ATOM 430 O LEU A 29 2.237 0.918 3.292 1.00 0.00 O ATOM 431 CB LEU A 29 2.441 3.189 0.666 1.00 0.00 C ATOM 432 CG LEU A 29 3.954 3.288 0.796 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.576 3.510 -0.575 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.330 4.415 1.747 1.00 0.00 C ATOM 0 H LEU A 29 0.251 2.510 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 29 2.400 1.037 0.798 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.177 3.337 -0.381 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.995 4.011 1.226 1.00 0.00 H new ATOM 0 HG LEU A 29 4.339 2.354 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.659 3.580 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.325 2.674 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.190 4.435 -1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.415 4.474 1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.944 5.359 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.901 4.220 2.730 1.00 0.00 H new ATOM 446 N LYS A 30 1.152 2.896 3.234 1.00 0.00 N ATOM 447 CA LYS A 30 0.887 2.995 4.678 1.00 0.00 C ATOM 448 C LYS A 30 0.520 1.652 5.328 1.00 0.00 C ATOM 449 O LYS A 30 1.083 1.308 6.364 1.00 0.00 O ATOM 450 CB LYS A 30 -0.213 4.023 4.960 1.00 0.00 C ATOM 451 CG LYS A 30 0.163 5.447 4.585 1.00 0.00 C ATOM 452 CD LYS A 30 1.443 5.887 5.272 1.00 0.00 C ATOM 453 CE LYS A 30 1.799 7.320 4.920 1.00 0.00 C ATOM 454 NZ LYS A 30 3.077 7.740 5.552 1.00 0.00 N ATOM 0 H LYS A 30 0.842 3.711 2.705 1.00 0.00 H new ATOM 0 HA LYS A 30 1.824 3.321 5.129 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.111 3.739 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.463 3.991 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.286 5.519 3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.648 6.122 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.328 5.794 6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.259 5.226 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.878 7.420 3.837 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.998 7.984 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.287 8.724 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.993 7.668 6.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.846 7.122 5.224 1.00 0.00 H new ATOM 468 N ALA A 31 -0.404 0.890 4.746 1.00 0.00 N ATOM 469 CA ALA A 31 -0.807 -0.385 5.331 1.00 0.00 C ATOM 470 C ALA A 31 0.311 -1.423 5.270 1.00 0.00 C ATOM 471 O ALA A 31 0.369 -2.326 6.101 1.00 0.00 O ATOM 472 CB ALA A 31 -2.054 -0.905 4.635 1.00 0.00 C ATOM 0 H ALA A 31 -0.883 1.131 3.878 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.027 -0.211 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.348 -1.857 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.864 -0.185 4.753 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.846 -1.047 3.574 1.00 0.00 H new ATOM 478 N ALA A 32 1.202 -1.289 4.296 1.00 0.00 N ATOM 479 CA ALA A 32 2.321 -2.212 4.160 1.00 0.00 C ATOM 480 C ALA A 32 3.325 -2.018 5.280 1.00 0.00 C ATOM 481 O ALA A 32 4.104 -2.905 5.623 1.00 0.00 O ATOM 482 CB ALA A 32 3.013 -2.022 2.821 1.00 0.00 C ATOM 0 H ALA A 32 1.172 -0.553 3.591 1.00 0.00 H new ATOM 0 HA ALA A 32 1.922 -3.225 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.846 -2.721 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.303 -2.208 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.387 -1.001 2.747 1.00 0.00 H new ATOM 488 N ASN A 33 3.272 -0.834 5.830 1.00 0.00 N ATOM 489 CA ASN A 33 4.244 -0.339 6.794 1.00 0.00 C ATOM 490 C ASN A 33 4.347 -1.103 8.111 1.00 0.00 C ATOM 491 O ASN A 33 5.146 -0.696 8.953 1.00 0.00 O ATOM 492 CB ASN A 33 3.960 1.127 7.091 1.00 0.00 C ATOM 493 CG ASN A 33 4.549 2.040 6.046 1.00 0.00 C ATOM 494 OD1 ASN A 33 5.561 2.699 6.276 1.00 0.00 O ATOM 495 ND2 ASN A 33 3.956 2.041 4.871 1.00 0.00 N ATOM 0 H ASN A 33 2.534 -0.161 5.620 1.00 0.00 H new ATOM 0 HA ASN A 33 5.208 -0.489 6.309 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.883 1.284 7.144 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.368 1.384 8.069 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.335 2.603 4.109 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.118 1.479 4.722 1.00 0.00 H new ATOM 502 N ARG A 34 3.579 -2.167 8.365 1.00 0.00 N ATOM 503 CA ARG A 34 3.728 -2.782 9.682 1.00 0.00 C ATOM 504 C ARG A 34 5.048 -3.551 9.744 1.00 0.00 C ATOM 505 O ARG A 34 5.923 -3.185 10.524 1.00 0.00 O ATOM 506 CB ARG A 34 2.539 -3.694 10.001 1.00 0.00 C ATOM 507 CG ARG A 34 1.235 -2.932 10.186 1.00 0.00 C ATOM 508 CD ARG A 34 0.271 -3.161 9.034 1.00 0.00 C ATOM 509 NE ARG A 34 -0.404 -4.453 9.133 1.00 0.00 N ATOM 510 CZ ARG A 34 -0.998 -5.067 8.110 1.00 0.00 C ATOM 511 NH1 ARG A 34 -0.953 -4.541 6.894 1.00 0.00 N ATOM 512 NH2 ARG A 34 -1.636 -6.213 8.303 1.00 0.00 N ATOM 0 H ARG A 34 2.901 -2.592 7.733 1.00 0.00 H new ATOM 0 HA ARG A 34 3.745 -1.997 10.438 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.418 -4.419 9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.755 -4.258 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.764 -3.241 11.119 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.448 -1.867 10.274 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.472 -2.364 9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.814 -3.107 8.091 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.422 -4.914 10.043 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.462 -3.661 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.410 -5.016 6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.673 -6.626 9.235 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.090 -6.682 7.519 1.00 0.00 H new ATOM 526 N GLY A 35 5.230 -4.604 8.940 1.00 0.00 N ATOM 527 CA GLY A 35 6.576 -4.761 8.419 1.00 0.00 C ATOM 528 C GLY A 35 6.895 -6.072 7.767 1.00 0.00 C ATOM 529 O GLY A 35 7.459 -6.080 6.675 1.00 0.00 O ATOM 0 H GLY A 35 4.534 -5.295 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.755 -3.967 7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.278 -4.608 9.238 1.00 0.00 H new ATOM 533 N SER A 36 6.595 -7.179 8.437 1.00 0.00 N ATOM 534 CA SER A 36 6.906 -8.494 7.891 1.00 0.00 C ATOM 535 C SER A 36 6.311 -8.616 6.499 1.00 0.00 C ATOM 536 O SER A 36 6.696 -9.481 5.718 1.00 0.00 O ATOM 537 CB SER A 36 6.355 -9.584 8.807 1.00 0.00 C ATOM 538 OG SER A 36 6.770 -9.369 10.147 1.00 0.00 O ATOM 0 H SER A 36 6.141 -7.193 9.350 1.00 0.00 H new ATOM 0 HA SER A 36 7.987 -8.615 7.826 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.266 -9.594 8.755 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.699 -10.561 8.467 1.00 0.00 H new ATOM 0 HG SER A 36 6.406 -10.076 10.720 1.00 0.00 H new ATOM 544 N GLY A 37 5.262 -7.828 6.296 1.00 0.00 N ATOM 545 CA GLY A 37 4.771 -7.560 4.945 1.00 0.00 C ATOM 546 C GLY A 37 5.908 -7.465 3.934 1.00 0.00 C ATOM 547 O GLY A 37 6.571 -6.435 3.816 1.00 0.00 O ATOM 0 H GLY A 37 4.738 -7.366 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.084 -8.351 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.205 -6.629 4.943 1.00 0.00 H new ATOM 551 N THR A 38 6.103 -8.551 3.205 1.00 0.00 N ATOM 552 CA THR A 38 7.253 -8.719 2.305 1.00 0.00 C ATOM 553 C THR A 38 6.807 -9.290 0.979 1.00 0.00 C ATOM 554 O THR A 38 5.620 -9.537 0.791 1.00 0.00 O ATOM 555 CB THR A 38 8.321 -9.673 2.876 1.00 0.00 C ATOM 556 OG1 THR A 38 7.711 -10.896 3.305 1.00 0.00 O ATOM 557 CG2 THR A 38 9.081 -9.047 4.026 1.00 0.00 C ATOM 0 H THR A 38 5.470 -9.351 3.214 1.00 0.00 H new ATOM 0 HA THR A 38 7.686 -7.726 2.187 1.00 0.00 H new ATOM 0 HB THR A 38 9.035 -9.880 2.079 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.820 -10.708 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.823 -9.753 4.399 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.581 -8.142 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.386 -8.795 4.827 1.00 0.00 H new ATOM 565 N LYS A 39 7.743 -9.540 0.067 1.00 0.00 N ATOM 566 CA LYS A 39 7.361 -10.069 -1.234 1.00 0.00 C ATOM 567 C LYS A 39 6.778 -11.459 -1.068 1.00 0.00 C ATOM 568 O LYS A 39 5.926 -11.888 -1.847 1.00 0.00 O ATOM 569 CB LYS A 39 8.516 -10.171 -2.232 1.00 0.00 C ATOM 570 CG LYS A 39 9.406 -8.960 -2.373 1.00 0.00 C ATOM 571 CD LYS A 39 10.077 -8.945 -3.745 1.00 0.00 C ATOM 572 CE LYS A 39 10.828 -10.243 -4.033 1.00 0.00 C ATOM 573 NZ LYS A 39 12.073 -10.371 -3.230 1.00 0.00 N ATOM 0 H LYS A 39 8.743 -9.389 0.200 1.00 0.00 H new ATOM 0 HA LYS A 39 6.637 -9.360 -1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.139 -11.018 -1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.098 -10.401 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.818 -8.052 -2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.165 -8.966 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.322 -8.785 -4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.771 -8.106 -3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.176 -11.091 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.077 -10.287 -5.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.343 -11.373 -3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.838 -9.835 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.910 -9.994 -2.274 1.00 0.00 H new ATOM 587 N ALA A 40 7.247 -12.158 -0.042 1.00 0.00 N ATOM 588 CA ALA A 40 6.816 -13.523 0.200 1.00 0.00 C ATOM 589 C ALA A 40 5.367 -13.543 0.633 1.00 0.00 C ATOM 590 O ALA A 40 4.596 -14.420 0.246 1.00 0.00 O ATOM 591 CB ALA A 40 7.687 -14.184 1.253 1.00 0.00 C ATOM 0 H ALA A 40 7.924 -11.801 0.632 1.00 0.00 H new ATOM 0 HA ALA A 40 6.916 -14.084 -0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.346 -15.206 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.722 -14.198 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.619 -13.624 2.185 1.00 0.00 H new ATOM 597 N ASN A 41 5.003 -12.556 1.428 1.00 0.00 N ATOM 598 CA ASN A 41 3.657 -12.451 1.950 1.00 0.00 C ATOM 599 C ASN A 41 3.179 -10.999 1.959 1.00 0.00 C ATOM 600 O ASN A 41 3.063 -10.381 3.018 1.00 0.00 O ATOM 601 CB ASN A 41 3.585 -13.079 3.359 1.00 0.00 C ATOM 602 CG ASN A 41 4.695 -12.638 4.319 1.00 0.00 C ATOM 603 OD1 ASN A 41 5.046 -11.361 4.312 1.00 0.00 O flip ATOM 604 ND2 ASN A 41 5.199 -13.445 5.101 1.00 0.00 N flip ATOM 0 H ASN A 41 5.629 -11.809 1.728 1.00 0.00 H new ATOM 0 HA ASN A 41 2.986 -13.005 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.621 -12.831 3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.620 -14.164 3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.908 -14.423 5.083 1.00 0.00 H new ATOM 0 HD22 ASN A 41 5.907 -13.136 5.767 1.00 0.00 H new ATOM 611 N PRO A 42 2.892 -10.412 0.784 1.00 0.00 N ATOM 612 CA PRO A 42 2.419 -9.040 0.728 1.00 0.00 C ATOM 613 C PRO A 42 1.047 -8.957 1.348 1.00 0.00 C ATOM 614 O PRO A 42 0.162 -9.751 1.016 1.00 0.00 O ATOM 615 CB PRO A 42 2.371 -8.688 -0.767 1.00 0.00 C ATOM 616 CG PRO A 42 3.020 -9.838 -1.477 1.00 0.00 C ATOM 617 CD PRO A 42 2.956 -11.025 -0.550 1.00 0.00 C ATOM 0 HA PRO A 42 3.062 -8.350 1.274 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.344 -8.550 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.900 -7.756 -0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.505 -10.053 -2.413 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.054 -9.601 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.082 -11.644 -0.750 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.831 -11.666 -0.656 1.00 0.00 H new ATOM 625 N ASP A 43 0.865 -8.013 2.248 1.00 0.00 N ATOM 626 CA ASP A 43 -0.370 -7.950 2.997 1.00 0.00 C ATOM 627 C ASP A 43 -1.463 -7.472 2.068 1.00 0.00 C ATOM 628 O ASP A 43 -1.474 -6.311 1.653 1.00 0.00 O ATOM 629 CB ASP A 43 -0.246 -7.033 4.217 1.00 0.00 C ATOM 630 CG ASP A 43 -1.419 -7.192 5.168 1.00 0.00 C ATOM 631 OD1 ASP A 43 -1.518 -8.253 5.825 1.00 0.00 O ATOM 632 OD2 ASP A 43 -2.240 -6.260 5.277 1.00 0.00 O ATOM 0 H ASP A 43 1.546 -7.289 2.476 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.612 -8.942 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.682 -7.255 4.745 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.185 -5.996 3.887 1.00 0.00 H new ATOM 637 N ILE A 44 -2.342 -8.388 1.690 1.00 0.00 N ATOM 638 CA ILE A 44 -3.369 -8.090 0.738 1.00 0.00 C ATOM 639 C ILE A 44 -4.407 -7.173 1.362 1.00 0.00 C ATOM 640 O ILE A 44 -5.307 -7.596 2.092 1.00 0.00 O ATOM 641 CB ILE A 44 -4.002 -9.389 0.187 1.00 0.00 C ATOM 642 CG1 ILE A 44 -5.269 -9.077 -0.593 1.00 0.00 C ATOM 643 CG2 ILE A 44 -4.280 -10.385 1.302 1.00 0.00 C ATOM 644 CD1 ILE A 44 -5.028 -8.280 -1.858 1.00 0.00 C ATOM 0 H ILE A 44 -2.353 -9.347 2.038 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.927 -7.566 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.286 -9.850 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -5.764 -10.013 -0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.953 -8.523 0.050 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.725 -11.287 0.882 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.346 -10.640 1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.969 -9.943 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.978 -8.097 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.562 -7.328 -1.605 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.370 -8.841 -2.522 1.00 0.00 H new ATOM 656 N ILE A 45 -4.232 -5.899 1.095 1.00 0.00 N ATOM 657 CA ILE A 45 -5.124 -4.885 1.587 1.00 0.00 C ATOM 658 C ILE A 45 -6.038 -4.415 0.479 1.00 0.00 C ATOM 659 O ILE A 45 -5.689 -4.468 -0.702 1.00 0.00 O ATOM 660 CB ILE A 45 -4.330 -3.684 2.123 1.00 0.00 C ATOM 661 CG1 ILE A 45 -3.364 -3.204 1.043 1.00 0.00 C ATOM 662 CG2 ILE A 45 -3.588 -4.064 3.393 1.00 0.00 C ATOM 663 CD1 ILE A 45 -2.341 -2.215 1.514 1.00 0.00 C ATOM 0 H ILE A 45 -3.464 -5.540 0.528 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.716 -5.315 2.395 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.014 -2.873 2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.848 -4.069 0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.939 -2.754 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.030 -3.202 3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.304 -4.383 4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.897 -4.880 3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.699 -1.931 0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.843 -1.330 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.736 -2.665 2.301 1.00 0.00 H new ATOM 675 N ARG A 46 -7.204 -3.963 0.858 1.00 0.00 N ATOM 676 CA ARG A 46 -8.115 -3.378 -0.085 1.00 0.00 C ATOM 677 C ARG A 46 -8.493 -2.011 0.425 1.00 0.00 C ATOM 678 O ARG A 46 -9.281 -1.886 1.360 1.00 0.00 O ATOM 679 CB ARG A 46 -9.361 -4.248 -0.275 1.00 0.00 C ATOM 680 CG ARG A 46 -9.044 -5.688 -0.643 1.00 0.00 C ATOM 681 CD ARG A 46 -10.246 -6.393 -1.241 1.00 0.00 C ATOM 682 NE ARG A 46 -10.586 -5.856 -2.559 1.00 0.00 N ATOM 683 CZ ARG A 46 -11.318 -6.509 -3.462 1.00 0.00 C ATOM 684 NH1 ARG A 46 -11.814 -7.704 -3.178 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.541 -5.966 -4.653 1.00 0.00 N ATOM 0 H ARG A 46 -7.545 -3.990 1.819 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.634 -3.301 -1.060 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.946 -4.237 0.645 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.984 -3.811 -1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.219 -5.708 -1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.712 -6.226 0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.038 -7.460 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.101 -6.286 -0.573 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.243 -4.927 -2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.636 -8.127 -2.267 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.374 -8.202 -3.870 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.152 -5.050 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.101 -6.465 -5.344 1.00 0.00 H new ATOM 699 N LEU A 47 -7.911 -0.983 -0.157 1.00 0.00 N ATOM 700 CA LEU A 47 -8.170 0.361 0.298 1.00 0.00 C ATOM 701 C LEU A 47 -9.377 0.890 -0.417 1.00 0.00 C ATOM 702 O LEU A 47 -9.533 0.698 -1.609 1.00 0.00 O ATOM 703 CB LEU A 47 -6.981 1.306 0.050 1.00 0.00 C ATOM 704 CG LEU A 47 -5.876 1.277 1.104 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.461 1.346 2.507 1.00 0.00 C ATOM 706 CD2 LEU A 47 -5.012 0.046 0.926 1.00 0.00 C ATOM 0 H LEU A 47 -7.261 -1.054 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.336 0.321 1.375 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.541 1.060 -0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.361 2.325 -0.023 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.245 2.156 0.970 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.654 1.324 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.028 2.270 2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.121 0.494 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.229 0.039 1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.627 -0.848 1.031 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.558 0.060 -0.065 1.00 0.00 H new ATOM 718 N ARG A 48 -10.225 1.551 0.296 1.00 0.00 N ATOM 719 CA ARG A 48 -11.364 2.169 -0.310 1.00 0.00 C ATOM 720 C ARG A 48 -11.291 3.633 0.012 1.00 0.00 C ATOM 721 O ARG A 48 -11.394 4.004 1.182 1.00 0.00 O ATOM 722 CB ARG A 48 -12.663 1.555 0.216 1.00 0.00 C ATOM 723 CG ARG A 48 -13.883 2.410 -0.093 1.00 0.00 C ATOM 724 CD ARG A 48 -15.135 1.913 0.608 1.00 0.00 C ATOM 725 NE ARG A 48 -16.266 2.817 0.390 1.00 0.00 N ATOM 726 CZ ARG A 48 -17.405 2.776 1.082 1.00 0.00 C ATOM 727 NH1 ARG A 48 -17.565 1.892 2.061 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.383 3.628 0.804 1.00 0.00 N ATOM 0 H ARG A 48 -10.154 1.680 1.305 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.359 2.013 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.797 0.566 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.585 1.417 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.687 3.439 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.053 2.419 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.387 0.918 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.942 1.820 1.677 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.177 3.525 -0.339 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -16.814 1.240 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -18.439 1.866 2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.264 4.316 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.254 3.595 1.334 1.00 0.00 H new ATOM 742 N GLU A 49 -11.063 4.480 -0.985 1.00 0.00 N ATOM 743 CA GLU A 49 -10.923 5.901 -0.730 1.00 0.00 C ATOM 744 C GLU A 49 -12.235 6.392 -0.168 1.00 0.00 C ATOM 745 O GLU A 49 -13.296 5.931 -0.579 1.00 0.00 O ATOM 746 CB GLU A 49 -10.579 6.606 -2.054 1.00 0.00 C ATOM 747 CG GLU A 49 -9.794 7.902 -1.921 1.00 0.00 C ATOM 748 CD GLU A 49 -10.671 9.129 -1.869 1.00 0.00 C ATOM 749 OE1 GLU A 49 -11.201 9.439 -0.786 1.00 0.00 O ATOM 750 OE2 GLU A 49 -10.825 9.788 -2.920 1.00 0.00 O ATOM 0 H GLU A 49 -10.973 4.208 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.126 6.112 -0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.006 5.917 -2.674 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.507 6.817 -2.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.187 7.860 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.107 7.990 -2.763 1.00 0.00 H new ATOM 757 N ARG A 50 -12.170 7.328 0.749 1.00 0.00 N ATOM 758 CA ARG A 50 -13.340 7.655 1.541 1.00 0.00 C ATOM 759 C ARG A 50 -14.326 8.454 0.721 1.00 0.00 C ATOM 760 O ARG A 50 -15.507 8.543 1.060 1.00 0.00 O ATOM 761 CB ARG A 50 -12.973 8.431 2.793 1.00 0.00 C ATOM 762 CG ARG A 50 -11.948 7.736 3.664 1.00 0.00 C ATOM 763 CD ARG A 50 -11.912 8.330 5.054 1.00 0.00 C ATOM 764 NE ARG A 50 -13.170 8.128 5.755 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.408 8.547 6.994 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.483 9.235 7.652 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.575 8.287 7.564 1.00 0.00 N ATOM 0 H ARG A 50 -11.335 7.871 0.966 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.798 6.714 1.846 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.587 9.408 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.876 8.605 3.379 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.182 6.673 3.727 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -10.963 7.819 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.101 7.876 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.698 9.397 4.989 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.916 7.634 5.266 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.589 9.443 7.207 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.666 9.556 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.288 7.767 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.761 8.607 8.515 1.00 0.00 H new ATOM 781 N GLY A 51 -13.835 9.035 -0.357 1.00 0.00 N ATOM 782 CA GLY A 51 -14.697 9.771 -1.233 1.00 0.00 C ATOM 783 C GLY A 51 -15.218 8.909 -2.365 1.00 0.00 C ATOM 784 O GLY A 51 -16.105 9.326 -3.114 1.00 0.00 O ATOM 0 H GLY A 51 -12.854 9.007 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.537 10.171 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -14.156 10.623 -1.644 1.00 0.00 H new ATOM 788 N THR A 52 -14.670 7.704 -2.503 1.00 0.00 N ATOM 789 CA THR A 52 -15.111 6.795 -3.542 1.00 0.00 C ATOM 790 C THR A 52 -15.825 5.591 -2.943 1.00 0.00 C ATOM 791 O THR A 52 -15.516 5.158 -1.834 1.00 0.00 O ATOM 792 CB THR A 52 -13.916 6.289 -4.378 1.00 0.00 C ATOM 793 OG1 THR A 52 -13.040 5.502 -3.560 1.00 0.00 O ATOM 794 CG2 THR A 52 -13.135 7.448 -4.973 1.00 0.00 C ATOM 0 H THR A 52 -13.924 7.342 -1.909 1.00 0.00 H new ATOM 0 HA THR A 52 -15.798 7.348 -4.183 1.00 0.00 H new ATOM 0 HB THR A 52 -14.311 5.678 -5.190 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.251 5.653 -2.615 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.299 7.062 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.789 8.034 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.756 8.081 -4.171 1.00 0.00 H new ATOM 802 N LYS A 53 -16.777 5.038 -3.678 1.00 0.00 N ATOM 803 CA LYS A 53 -17.345 3.753 -3.305 1.00 0.00 C ATOM 804 C LYS A 53 -16.610 2.676 -4.091 1.00 0.00 C ATOM 805 O LYS A 53 -17.061 1.537 -4.230 1.00 0.00 O ATOM 806 CB LYS A 53 -18.854 3.703 -3.566 1.00 0.00 C ATOM 807 CG LYS A 53 -19.551 2.553 -2.847 1.00 0.00 C ATOM 808 CD LYS A 53 -21.058 2.593 -3.031 1.00 0.00 C ATOM 809 CE LYS A 53 -21.454 2.382 -4.481 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.928 2.366 -4.652 1.00 0.00 N ATOM 0 H LYS A 53 -17.168 5.452 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.219 3.590 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -19.302 4.645 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.028 3.611 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -19.166 1.605 -3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.315 2.595 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.520 1.824 -2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -21.441 3.553 -2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.025 3.175 -5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -21.036 1.441 -4.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -23.160 2.220 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -23.335 1.594 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -23.324 3.273 -4.334 1.00 0.00 H new ATOM 824 N LYS A 54 -15.447 3.072 -4.589 1.00 0.00 N ATOM 825 CA LYS A 54 -14.592 2.194 -5.350 1.00 0.00 C ATOM 826 C LYS A 54 -13.475 1.674 -4.463 1.00 0.00 C ATOM 827 O LYS A 54 -12.906 2.405 -3.649 1.00 0.00 O ATOM 828 CB LYS A 54 -13.999 2.917 -6.562 1.00 0.00 C ATOM 829 CG LYS A 54 -15.039 3.472 -7.520 1.00 0.00 C ATOM 830 CD LYS A 54 -14.383 4.085 -8.747 1.00 0.00 C ATOM 831 CE LYS A 54 -15.371 4.876 -9.591 1.00 0.00 C ATOM 832 NZ LYS A 54 -16.506 4.044 -10.074 1.00 0.00 N ATOM 0 H LYS A 54 -15.076 4.015 -4.472 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.192 1.359 -5.712 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.369 3.735 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -13.353 2.226 -7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -15.717 2.676 -7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.641 4.225 -7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.570 4.740 -8.433 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.940 3.295 -9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.760 5.708 -9.004 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.850 5.305 -10.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -17.094 4.603 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.137 3.208 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.082 3.738 -9.264 1.00 0.00 H new ATOM 846 N VAL A 55 -13.169 0.417 -4.638 1.00 0.00 N ATOM 847 CA VAL A 55 -12.193 -0.265 -3.834 1.00 0.00 C ATOM 848 C VAL A 55 -10.885 -0.423 -4.595 1.00 0.00 C ATOM 849 O VAL A 55 -10.816 -1.088 -5.631 1.00 0.00 O ATOM 850 CB VAL A 55 -12.728 -1.644 -3.408 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.669 -2.429 -2.646 1.00 0.00 C ATOM 852 CG2 VAL A 55 -13.977 -1.473 -2.563 1.00 0.00 C ATOM 0 H VAL A 55 -13.597 -0.170 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.003 0.333 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.981 -2.210 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.073 -3.399 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.796 -2.575 -3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -11.379 -1.876 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.351 -2.452 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.738 -0.889 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.740 -0.954 -3.143 1.00 0.00 H new ATOM 862 N HIS A 56 -9.860 0.194 -4.053 1.00 0.00 N ATOM 863 CA HIS A 56 -8.533 0.184 -4.624 1.00 0.00 C ATOM 864 C HIS A 56 -7.705 -0.907 -3.936 1.00 0.00 C ATOM 865 O HIS A 56 -7.198 -0.704 -2.835 1.00 0.00 O ATOM 866 CB HIS A 56 -7.887 1.562 -4.404 1.00 0.00 C ATOM 867 CG HIS A 56 -8.726 2.722 -4.882 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.500 3.362 -6.081 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.808 3.353 -4.328 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.393 4.316 -6.249 1.00 0.00 C ATOM 871 NE2 HIS A 56 -10.194 4.332 -5.202 1.00 0.00 N ATOM 0 H HIS A 56 -9.927 0.727 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.578 -0.023 -5.693 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.683 1.690 -3.341 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.926 1.587 -4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.270 3.121 -3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.458 4.975 -7.102 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.976 4.972 -5.065 1.00 0.00 H new ATOM 880 N VAL A 57 -7.572 -2.064 -4.574 1.00 0.00 N ATOM 881 CA VAL A 57 -6.918 -3.215 -3.931 1.00 0.00 C ATOM 882 C VAL A 57 -5.458 -3.356 -4.353 1.00 0.00 C ATOM 883 O VAL A 57 -5.161 -3.390 -5.538 1.00 0.00 O ATOM 884 CB VAL A 57 -7.663 -4.549 -4.215 1.00 0.00 C ATOM 885 CG1 VAL A 57 -7.793 -4.827 -5.708 1.00 0.00 C ATOM 886 CG2 VAL A 57 -6.956 -5.711 -3.532 1.00 0.00 C ATOM 0 H VAL A 57 -7.901 -2.237 -5.524 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.957 -3.014 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.669 -4.447 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.320 -5.769 -5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -8.352 -4.019 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.800 -4.891 -6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.492 -6.637 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.936 -5.788 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.933 -5.541 -2.456 1.00 0.00 H new ATOM 896 N PHE A 58 -4.556 -3.440 -3.372 1.00 0.00 N ATOM 897 CA PHE A 58 -3.122 -3.603 -3.637 1.00 0.00 C ATOM 898 C PHE A 58 -2.525 -4.626 -2.672 1.00 0.00 C ATOM 899 O PHE A 58 -2.669 -4.464 -1.467 1.00 0.00 O ATOM 900 CB PHE A 58 -2.327 -2.313 -3.362 1.00 0.00 C ATOM 901 CG PHE A 58 -2.790 -1.033 -3.986 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.025 -0.479 -3.681 1.00 0.00 C ATOM 903 CD2 PHE A 58 -1.937 -0.338 -4.827 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.405 0.725 -4.223 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.313 0.878 -5.363 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.549 1.405 -5.063 1.00 0.00 C ATOM 0 H PHE A 58 -4.794 -3.398 -2.381 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.048 -3.898 -4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.303 -2.164 -2.282 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.299 -2.484 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.694 -0.999 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.968 -0.751 -5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.375 1.139 -3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.640 1.414 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.848 2.352 -5.486 1.00 0.00 H new ATOM 916 N LYS A 59 -1.882 -5.687 -3.145 1.00 0.00 N ATOM 917 CA LYS A 59 -0.962 -6.402 -2.248 1.00 0.00 C ATOM 918 C LYS A 59 0.296 -5.575 -1.981 1.00 0.00 C ATOM 919 O LYS A 59 1.128 -5.390 -2.866 1.00 0.00 O ATOM 920 CB LYS A 59 -0.555 -7.753 -2.841 1.00 0.00 C ATOM 921 CG LYS A 59 -1.726 -8.623 -3.270 1.00 0.00 C ATOM 922 CD LYS A 59 -1.257 -10.008 -3.691 1.00 0.00 C ATOM 923 CE LYS A 59 -0.843 -10.848 -2.493 1.00 0.00 C ATOM 924 NZ LYS A 59 -2.017 -11.350 -1.735 1.00 0.00 N ATOM 0 H LYS A 59 -1.967 -6.061 -4.090 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.490 -6.567 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.089 -7.580 -3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.037 -8.297 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.437 -8.711 -2.449 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.252 -8.147 -4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.056 -10.514 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.416 -9.915 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.242 -11.692 -2.832 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.212 -10.252 -1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.878 -11.170 -0.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.875 -10.860 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.122 -12.372 -1.894 1.00 0.00 H new ATOM 938 N ALA A 60 0.393 -5.048 -0.769 1.00 0.00 N ATOM 939 CA ALA A 60 1.534 -4.237 -0.347 1.00 0.00 C ATOM 940 C ALA A 60 2.595 -5.046 0.388 1.00 0.00 C ATOM 941 O ALA A 60 2.280 -5.977 1.127 1.00 0.00 O ATOM 942 CB ALA A 60 1.021 -3.131 0.553 1.00 0.00 C ATOM 0 H ALA A 60 -0.317 -5.169 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 60 2.013 -3.834 -1.239 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.856 -2.512 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.307 -2.517 0.004 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.530 -3.568 1.423 1.00 0.00 H new ATOM 948 N TRP A 61 3.853 -4.664 0.196 1.00 0.00 N ATOM 949 CA TRP A 61 4.969 -5.316 0.871 1.00 0.00 C ATOM 950 C TRP A 61 6.183 -4.394 0.899 1.00 0.00 C ATOM 951 O TRP A 61 6.444 -3.687 -0.059 1.00 0.00 O ATOM 952 CB TRP A 61 5.327 -6.639 0.180 1.00 0.00 C ATOM 953 CG TRP A 61 6.007 -6.495 -1.152 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.347 -6.577 -1.398 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.383 -6.278 -2.420 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.603 -6.378 -2.731 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.405 -6.200 -3.386 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.061 -6.132 -2.825 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.132 -5.981 -4.737 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.790 -5.920 -4.158 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.820 -5.846 -5.106 1.00 0.00 C ATOM 0 H TRP A 61 4.126 -3.902 -0.425 1.00 0.00 H new ATOM 0 HA TRP A 61 4.667 -5.533 1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.975 -7.214 0.842 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.414 -7.220 0.044 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.100 -6.771 -0.649 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.526 -6.364 -3.164 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.258 -6.184 -2.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.927 -5.920 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.765 -5.809 -4.479 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.575 -5.680 -6.145 1.00 0.00 H new ATOM 972 N LYS A 62 6.940 -4.422 1.983 1.00 0.00 N ATOM 973 CA LYS A 62 8.121 -3.574 2.092 1.00 0.00 C ATOM 974 C LYS A 62 9.332 -4.437 1.866 1.00 0.00 C ATOM 975 O LYS A 62 9.525 -5.444 2.548 1.00 0.00 O ATOM 976 CB LYS A 62 8.240 -2.873 3.455 1.00 0.00 C ATOM 977 CG LYS A 62 7.052 -2.000 3.843 1.00 0.00 C ATOM 978 CD LYS A 62 7.443 -0.954 4.882 1.00 0.00 C ATOM 979 CE LYS A 62 8.285 -1.552 5.990 1.00 0.00 C ATOM 980 NZ LYS A 62 8.737 -0.532 6.976 1.00 0.00 N ATOM 0 H LYS A 62 6.763 -5.015 2.794 1.00 0.00 H new ATOM 0 HA LYS A 62 8.039 -2.784 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.379 -3.632 4.225 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.138 -2.255 3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.659 -1.504 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.253 -2.626 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.997 -0.150 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.543 -0.510 5.308 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.709 -2.321 6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.155 -2.044 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.309 -0.991 7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.310 0.189 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.908 -0.080 7.412 1.00 0.00 H new ATOM 994 N GLU A 63 10.143 -4.049 0.913 1.00 0.00 N ATOM 995 CA GLU A 63 11.163 -4.929 0.425 1.00 0.00 C ATOM 996 C GLU A 63 12.371 -4.150 -0.090 1.00 0.00 C ATOM 997 O GLU A 63 12.269 -2.975 -0.452 1.00 0.00 O ATOM 998 CB GLU A 63 10.510 -5.801 -0.649 1.00 0.00 C ATOM 999 CG GLU A 63 11.429 -6.624 -1.516 1.00 0.00 C ATOM 1000 CD GLU A 63 12.253 -7.647 -0.743 1.00 0.00 C ATOM 1001 OE1 GLU A 63 12.915 -7.283 0.244 1.00 0.00 O ATOM 1002 OE2 GLU A 63 12.228 -8.836 -1.120 1.00 0.00 O ATOM 0 H GLU A 63 10.113 -3.133 0.465 1.00 0.00 H new ATOM 0 HA GLU A 63 11.559 -5.560 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.812 -6.478 -0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.921 -5.154 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.835 -7.143 -2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.105 -5.956 -2.050 1.00 0.00 H new ATOM 1009 N ILE A 64 13.509 -4.810 -0.066 1.00 0.00 N ATOM 1010 CA ILE A 64 14.746 -4.278 -0.596 1.00 0.00 C ATOM 1011 C ILE A 64 15.215 -5.174 -1.718 1.00 0.00 C ATOM 1012 O ILE A 64 15.442 -6.367 -1.516 1.00 0.00 O ATOM 1013 CB ILE A 64 15.852 -4.209 0.464 1.00 0.00 C ATOM 1014 CG1 ILE A 64 15.449 -3.279 1.604 1.00 0.00 C ATOM 1015 CG2 ILE A 64 17.169 -3.759 -0.158 1.00 0.00 C ATOM 1016 CD1 ILE A 64 16.425 -3.279 2.762 1.00 0.00 C ATOM 0 H ILE A 64 13.602 -5.746 0.329 1.00 0.00 H new ATOM 0 HA ILE A 64 14.550 -3.264 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 64 15.993 -5.209 0.873 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.357 -2.264 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.465 -3.572 1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 64 17.939 -3.717 0.612 1.00 0.00 H new ATOM 0 HG22 ILE A 64 17.467 -4.467 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 64 17.044 -2.771 -0.600 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.073 -2.595 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.500 -4.285 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.406 -2.957 2.411 1.00 0.00 H new ATOM 1028 N VAL A 65 15.365 -4.622 -2.898 1.00 0.00 N ATOM 1029 CA VAL A 65 15.790 -5.407 -4.033 1.00 0.00 C ATOM 1030 C VAL A 65 17.055 -4.800 -4.619 1.00 0.00 C ATOM 1031 O VAL A 65 17.318 -3.625 -4.418 1.00 0.00 O ATOM 1032 CB VAL A 65 14.681 -5.533 -5.102 1.00 0.00 C ATOM 1033 CG1 VAL A 65 13.459 -6.237 -4.524 1.00 0.00 C ATOM 1034 CG2 VAL A 65 14.282 -4.177 -5.650 1.00 0.00 C ATOM 0 H VAL A 65 15.200 -3.635 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 65 16.002 -6.420 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 65 15.083 -6.128 -5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.688 -6.317 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.740 -7.235 -4.186 1.00 0.00 H new ATOM 0 HG13 VAL A 65 13.074 -5.664 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.500 -4.303 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 65 13.909 -3.552 -4.838 1.00 0.00 H new ATOM 0 HG23 VAL A 65 15.149 -3.700 -6.107 1.00 0.00 H new ATOM 1044 N ASP A 66 17.875 -5.651 -5.221 1.00 0.00 N ATOM 1045 CA ASP A 66 19.186 -5.233 -5.749 1.00 0.00 C ATOM 1046 C ASP A 66 19.125 -4.524 -7.120 1.00 0.00 C ATOM 1047 O ASP A 66 18.052 -4.289 -7.666 1.00 0.00 O ATOM 1048 CB ASP A 66 20.123 -6.445 -5.837 1.00 0.00 C ATOM 1049 CG ASP A 66 21.564 -6.110 -5.490 1.00 0.00 C ATOM 1050 OD1 ASP A 66 22.182 -5.274 -6.180 1.00 0.00 O ATOM 1051 OD2 ASP A 66 22.086 -6.677 -4.508 1.00 0.00 O ATOM 0 H ASP A 66 17.663 -6.639 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 66 19.569 -4.495 -5.044 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.765 -7.223 -5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.084 -6.854 -6.846 1.00 0.00 H new ATOM 1056 N ALA A 67 20.324 -4.226 -7.647 1.00 0.00 N ATOM 1057 CA ALA A 67 20.556 -3.415 -8.852 1.00 0.00 C ATOM 1058 C ALA A 67 19.702 -3.807 -10.066 1.00 0.00 C ATOM 1059 O ALA A 67 19.182 -4.923 -10.155 1.00 0.00 O ATOM 1060 CB ALA A 67 22.035 -3.522 -9.212 1.00 0.00 C ATOM 0 H ALA A 67 21.193 -4.557 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 67 20.259 -2.394 -8.611 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.236 -2.929 -10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 67 22.639 -3.149 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 67 22.288 -4.565 -9.405 1.00 0.00 H new ATOM 1066 N PRO A 68 19.572 -2.857 -11.029 1.00 0.00 N ATOM 1067 CA PRO A 68 18.627 -2.945 -12.152 1.00 0.00 C ATOM 1068 C PRO A 68 18.901 -4.036 -13.175 1.00 0.00 C ATOM 1069 O PRO A 68 19.218 -3.760 -14.331 1.00 0.00 O ATOM 1070 CB PRO A 68 18.734 -1.590 -12.835 1.00 0.00 C ATOM 1071 CG PRO A 68 20.081 -1.082 -12.466 1.00 0.00 C ATOM 1072 CD PRO A 68 20.338 -1.592 -11.079 1.00 0.00 C ATOM 0 HA PRO A 68 17.644 -3.202 -11.758 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.629 -1.683 -13.916 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.950 -0.913 -12.496 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.839 -1.440 -13.162 1.00 0.00 H new ATOM 0 HG3 PRO A 68 20.111 0.007 -12.495 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.401 -1.759 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 68 19.997 -0.886 -10.322 1.00 0.00 H new ATOM 1080 N LYS A 69 18.750 -5.264 -12.748 1.00 0.00 N ATOM 1081 CA LYS A 69 18.589 -6.376 -13.669 1.00 0.00 C ATOM 1082 C LYS A 69 17.091 -6.567 -13.853 1.00 0.00 C ATOM 1083 O LYS A 69 16.623 -7.347 -14.679 1.00 0.00 O ATOM 1084 CB LYS A 69 19.210 -7.664 -13.104 1.00 0.00 C ATOM 1085 CG LYS A 69 20.403 -7.445 -12.181 1.00 0.00 C ATOM 1086 CD LYS A 69 21.527 -6.680 -12.860 1.00 0.00 C ATOM 1087 CE LYS A 69 22.717 -6.507 -11.932 1.00 0.00 C ATOM 1088 NZ LYS A 69 23.814 -5.738 -12.573 1.00 0.00 N ATOM 0 H LYS A 69 18.734 -5.527 -11.763 1.00 0.00 H new ATOM 0 HA LYS A 69 19.092 -6.164 -14.612 1.00 0.00 H new ATOM 0 HB2 LYS A 69 18.442 -8.212 -12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 69 19.523 -8.295 -13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 69 20.078 -6.899 -11.295 1.00 0.00 H new ATOM 0 HG3 LYS A 69 20.778 -8.410 -11.841 1.00 0.00 H new ATOM 0 HD2 LYS A 69 21.839 -7.210 -13.760 1.00 0.00 H new ATOM 0 HD3 LYS A 69 21.165 -5.702 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 69 22.398 -5.995 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 69 23.088 -7.487 -11.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 24.607 -5.643 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.137 -6.239 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 23.468 -4.793 -12.837 1.00 0.00 H new ATOM 1102 N ASN A 70 16.358 -5.817 -13.032 1.00 0.00 N ATOM 1103 CA ASN A 70 14.913 -5.964 -12.911 1.00 0.00 C ATOM 1104 C ASN A 70 14.216 -4.602 -12.953 1.00 0.00 C ATOM 1105 O ASN A 70 12.995 -4.507 -12.869 1.00 0.00 O ATOM 1106 CB ASN A 70 14.569 -6.738 -11.627 1.00 0.00 C ATOM 1107 CG ASN A 70 13.083 -7.017 -11.460 1.00 0.00 C ATOM 1108 OD1 ASN A 70 12.376 -6.285 -10.768 1.00 0.00 O ATOM 1109 ND2 ASN A 70 12.598 -8.071 -12.095 1.00 0.00 N ATOM 0 H ASN A 70 16.751 -5.091 -12.433 1.00 0.00 H new ATOM 0 HA ASN A 70 14.546 -6.537 -13.762 1.00 0.00 H new ATOM 0 HB2 ASN A 70 15.109 -7.685 -11.628 1.00 0.00 H new ATOM 0 HB3 ASN A 70 14.922 -6.171 -10.766 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.607 -8.300 -12.020 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.215 -8.655 -12.660 1.00 0.00 H new ATOM 1116 N ARG A 71 14.995 -3.550 -13.128 1.00 0.00 N ATOM 1117 CA ARG A 71 14.555 -2.210 -12.732 1.00 0.00 C ATOM 1118 C ARG A 71 14.466 -1.239 -13.899 1.00 0.00 C ATOM 1119 O ARG A 71 14.948 -1.512 -15.001 1.00 0.00 O ATOM 1120 CB ARG A 71 15.564 -1.592 -11.774 1.00 0.00 C ATOM 1121 CG ARG A 71 15.790 -2.305 -10.479 1.00 0.00 C ATOM 1122 CD ARG A 71 16.802 -1.500 -9.703 1.00 0.00 C ATOM 1123 NE ARG A 71 16.947 -1.910 -8.333 1.00 0.00 N ATOM 1124 CZ ARG A 71 16.012 -1.775 -7.407 1.00 0.00 C ATOM 1125 NH1 ARG A 71 14.749 -1.552 -7.737 1.00 0.00 N ATOM 1126 NH2 ARG A 71 16.339 -1.915 -6.144 1.00 0.00 N ATOM 0 H ARG A 71 15.928 -3.588 -13.537 1.00 0.00 H new ATOM 0 HA ARG A 71 13.570 -2.351 -12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 71 16.521 -1.516 -12.291 1.00 0.00 H new ATOM 0 HB3 ARG A 71 15.241 -0.575 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.858 -2.395 -9.920 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.155 -3.317 -10.655 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.770 -1.576 -10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.513 -0.449 -9.729 1.00 0.00 H new ATOM 0 HE ARG A 71 17.832 -2.334 -8.056 1.00 0.00 H new ATOM 0 HH11 ARG A 71 14.483 -1.482 -8.719 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.042 -1.451 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 71 17.304 -2.125 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.629 -1.814 -5.419 1.00 0.00 H new ATOM 1140 N PRO A 72 13.830 -0.085 -13.643 1.00 0.00 N ATOM 1141 CA PRO A 72 14.084 1.151 -14.383 1.00 0.00 C ATOM 1142 C PRO A 72 15.492 1.643 -14.076 1.00 0.00 C ATOM 1143 O PRO A 72 16.000 1.437 -12.971 1.00 0.00 O ATOM 1144 CB PRO A 72 13.044 2.132 -13.827 1.00 0.00 C ATOM 1145 CG PRO A 72 12.024 1.281 -13.159 1.00 0.00 C ATOM 1146 CD PRO A 72 12.777 0.099 -12.633 1.00 0.00 C ATOM 0 HA PRO A 72 14.010 1.032 -15.464 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.497 2.829 -13.123 1.00 0.00 H new ATOM 0 HB3 PRO A 72 12.599 2.728 -14.624 1.00 0.00 H new ATOM 0 HG2 PRO A 72 11.528 1.822 -12.353 1.00 0.00 H new ATOM 0 HG3 PRO A 72 11.249 0.973 -13.860 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.193 0.291 -11.644 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.140 -0.781 -12.546 1.00 0.00 H new ATOM 1154 N ALA A 73 16.100 2.314 -15.030 1.00 0.00 N ATOM 1155 CA ALA A 73 17.523 2.616 -14.975 1.00 0.00 C ATOM 1156 C ALA A 73 17.873 3.747 -14.003 1.00 0.00 C ATOM 1157 O ALA A 73 19.040 4.108 -13.859 1.00 0.00 O ATOM 1158 CB ALA A 73 18.004 2.942 -16.369 1.00 0.00 C ATOM 0 H ALA A 73 15.629 2.666 -15.864 1.00 0.00 H new ATOM 0 HA ALA A 73 18.032 1.733 -14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.069 3.170 -16.342 1.00 0.00 H new ATOM 0 HB2 ALA A 73 17.833 2.087 -17.022 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.458 3.805 -16.750 1.00 0.00 H new ATOM 1164 N TRP A 74 16.869 4.305 -13.342 1.00 0.00 N ATOM 1165 CA TRP A 74 17.101 5.364 -12.364 1.00 0.00 C ATOM 1166 C TRP A 74 17.191 4.788 -10.951 1.00 0.00 C ATOM 1167 O TRP A 74 17.742 5.415 -10.047 1.00 0.00 O ATOM 1168 CB TRP A 74 15.979 6.411 -12.436 1.00 0.00 C ATOM 1169 CG TRP A 74 14.611 5.826 -12.266 1.00 0.00 C ATOM 1170 CD1 TRP A 74 13.749 5.452 -13.255 1.00 0.00 C ATOM 1171 CD2 TRP A 74 13.947 5.539 -11.028 1.00 0.00 C ATOM 1172 NE1 TRP A 74 12.602 4.940 -12.707 1.00 0.00 N ATOM 1173 CE2 TRP A 74 12.700 4.984 -11.348 1.00 0.00 C ATOM 1174 CE3 TRP A 74 14.290 5.695 -9.681 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 11.797 4.579 -10.383 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 13.389 5.292 -8.717 1.00 0.00 C ATOM 1177 CH2 TRP A 74 12.155 4.737 -9.071 1.00 0.00 C ATOM 0 H TRP A 74 15.890 4.046 -13.462 1.00 0.00 H new ATOM 0 HA TRP A 74 18.050 5.845 -12.601 1.00 0.00 H new ATOM 0 HB2 TRP A 74 16.143 7.163 -11.664 1.00 0.00 H new ATOM 0 HB3 TRP A 74 16.031 6.923 -13.397 1.00 0.00 H new ATOM 0 HD1 TRP A 74 13.942 5.546 -14.313 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.803 4.583 -13.232 1.00 0.00 H new ATOM 0 HE3 TRP A 74 15.241 6.123 -9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 10.842 4.153 -10.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 13.640 5.407 -7.673 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.471 4.427 -8.294 1.00 0.00 H new ATOM 1188 N MET A 75 16.630 3.600 -10.774 1.00 0.00 N ATOM 1189 CA MET A 75 16.575 2.978 -9.455 1.00 0.00 C ATOM 1190 C MET A 75 17.899 2.286 -9.139 1.00 0.00 C ATOM 1191 O MET A 75 18.421 1.528 -9.961 1.00 0.00 O ATOM 1192 CB MET A 75 15.409 1.988 -9.363 1.00 0.00 C ATOM 1193 CG MET A 75 14.725 2.013 -8.001 1.00 0.00 C ATOM 1194 SD MET A 75 13.305 0.903 -7.879 1.00 0.00 S ATOM 1195 CE MET A 75 12.332 1.405 -9.292 1.00 0.00 C ATOM 0 H MET A 75 16.208 3.049 -11.521 1.00 0.00 H new ATOM 0 HA MET A 75 16.408 3.760 -8.715 1.00 0.00 H new ATOM 0 HB2 MET A 75 14.678 2.221 -10.137 1.00 0.00 H new ATOM 0 HB3 MET A 75 15.775 0.981 -9.563 1.00 0.00 H new ATOM 0 HG2 MET A 75 15.452 1.744 -7.235 1.00 0.00 H new ATOM 0 HG3 MET A 75 14.398 3.031 -7.787 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.449 1.946 -8.952 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.930 2.052 -9.934 1.00 0.00 H new ATOM 0 HE3 MET A 75 12.023 0.523 -9.853 1.00 0.00 H new ATOM 1205 N PRO A 76 18.464 2.551 -7.944 1.00 0.00 N ATOM 1206 CA PRO A 76 19.770 2.026 -7.551 1.00 0.00 C ATOM 1207 C PRO A 76 19.720 0.553 -7.202 1.00 0.00 C ATOM 1208 O PRO A 76 18.657 -0.057 -7.235 1.00 0.00 O ATOM 1209 CB PRO A 76 20.160 2.823 -6.303 1.00 0.00 C ATOM 1210 CG PRO A 76 18.985 3.677 -5.940 1.00 0.00 C ATOM 1211 CD PRO A 76 17.852 3.358 -6.883 1.00 0.00 C ATOM 0 HA PRO A 76 20.480 2.124 -8.372 1.00 0.00 H new ATOM 0 HB2 PRO A 76 20.417 2.153 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 76 21.038 3.439 -6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 76 18.684 3.489 -4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 76 19.249 4.732 -6.008 1.00 0.00 H new ATOM 0 HD2 PRO A 76 17.058 2.809 -6.376 1.00 0.00 H new ATOM 0 HD3 PRO A 76 17.404 4.267 -7.285 1.00 0.00 H new ATOM 1219 N GLU A 77 20.886 -0.005 -6.885 1.00 0.00 N ATOM 1220 CA GLU A 77 20.999 -1.368 -6.466 1.00 0.00 C ATOM 1221 C GLU A 77 20.030 -1.618 -5.343 1.00 0.00 C ATOM 1222 O GLU A 77 18.939 -2.108 -5.567 1.00 0.00 O ATOM 1223 CB GLU A 77 22.430 -1.709 -6.009 1.00 0.00 C ATOM 1224 CG GLU A 77 23.540 -1.121 -6.871 1.00 0.00 C ATOM 1225 CD GLU A 77 23.762 0.356 -6.615 1.00 0.00 C ATOM 1226 OE1 GLU A 77 24.385 0.701 -5.591 1.00 0.00 O ATOM 1227 OE2 GLU A 77 23.300 1.179 -7.428 1.00 0.00 O ATOM 0 H GLU A 77 21.775 0.493 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 77 20.766 -2.009 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 77 22.561 -1.358 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.541 -2.793 -5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 77 24.467 -1.662 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 77 23.295 -1.270 -7.923 1.00 0.00 H new ATOM 1234 N LYS A 78 20.411 -1.252 -4.145 1.00 0.00 N ATOM 1235 CA LYS A 78 19.571 -1.506 -2.990 1.00 0.00 C ATOM 1236 C LYS A 78 18.615 -0.359 -2.738 1.00 0.00 C ATOM 1237 O LYS A 78 19.025 0.801 -2.684 1.00 0.00 O ATOM 1238 CB LYS A 78 20.425 -1.730 -1.738 1.00 0.00 C ATOM 1239 CG LYS A 78 21.321 -2.958 -1.792 1.00 0.00 C ATOM 1240 CD LYS A 78 20.516 -4.246 -1.887 1.00 0.00 C ATOM 1241 CE LYS A 78 21.323 -5.445 -1.410 1.00 0.00 C ATOM 1242 NZ LYS A 78 22.614 -5.586 -2.134 1.00 0.00 N ATOM 0 H LYS A 78 21.291 -0.780 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 78 18.993 -2.405 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 78 21.047 -0.850 -1.577 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.765 -1.816 -0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.988 -2.883 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.950 -2.988 -0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.610 -4.155 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.202 -4.405 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.518 -5.346 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.734 -6.352 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 23.087 -6.462 -1.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.436 -5.622 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.224 -4.772 -1.918 1.00 0.00 H new ATOM 1256 N ILE A 79 17.340 -0.685 -2.574 1.00 0.00 N ATOM 1257 CA ILE A 79 16.358 0.303 -2.148 1.00 0.00 C ATOM 1258 C ILE A 79 15.322 -0.370 -1.254 1.00 0.00 C ATOM 1259 O ILE A 79 15.075 -1.566 -1.375 1.00 0.00 O ATOM 1260 CB ILE A 79 15.662 1.075 -3.320 1.00 0.00 C ATOM 1261 CG1 ILE A 79 14.262 0.537 -3.654 1.00 0.00 C ATOM 1262 CG2 ILE A 79 16.519 1.077 -4.575 1.00 0.00 C ATOM 1263 CD1 ILE A 79 14.238 -0.893 -4.136 1.00 0.00 C ATOM 0 H ILE A 79 16.963 -1.620 -2.728 1.00 0.00 H new ATOM 0 HA ILE A 79 16.905 1.066 -1.595 1.00 0.00 H new ATOM 0 HB ILE A 79 15.544 2.098 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 79 13.634 0.618 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 79 13.816 1.172 -4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 79 16.004 1.621 -5.366 1.00 0.00 H new ATOM 0 HG22 ILE A 79 17.473 1.560 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.696 0.051 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 79 13.210 -1.188 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.835 -0.981 -5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 79 14.651 -1.544 -3.365 1.00 0.00 H new ATOM 1275 N SER A 80 14.757 0.394 -0.352 1.00 0.00 N ATOM 1276 CA SER A 80 13.765 -0.095 0.590 1.00 0.00 C ATOM 1277 C SER A 80 12.485 0.734 0.510 1.00 0.00 C ATOM 1278 O SER A 80 12.526 1.955 0.664 1.00 0.00 O ATOM 1279 CB SER A 80 14.355 -0.030 1.993 1.00 0.00 C ATOM 1280 OG SER A 80 15.002 1.214 2.222 1.00 0.00 O ATOM 0 H SER A 80 14.972 1.385 -0.245 1.00 0.00 H new ATOM 0 HA SER A 80 13.506 -1.125 0.344 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.564 -0.173 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.067 -0.844 2.129 1.00 0.00 H new ATOM 0 HG SER A 80 14.476 1.936 1.819 1.00 0.00 H new ATOM 1286 N LYS A 81 11.348 0.070 0.300 1.00 0.00 N ATOM 1287 CA LYS A 81 10.075 0.756 0.066 1.00 0.00 C ATOM 1288 C LYS A 81 8.912 -0.182 0.366 1.00 0.00 C ATOM 1289 O LYS A 81 9.013 -1.386 0.136 1.00 0.00 O ATOM 1290 CB LYS A 81 9.925 1.213 -1.395 1.00 0.00 C ATOM 1291 CG LYS A 81 11.042 2.084 -1.929 1.00 0.00 C ATOM 1292 CD LYS A 81 10.950 3.477 -1.360 1.00 0.00 C ATOM 1293 CE LYS A 81 12.075 4.360 -1.876 1.00 0.00 C ATOM 1294 NZ LYS A 81 11.945 5.768 -1.418 1.00 0.00 N ATOM 0 H LYS A 81 11.282 -0.948 0.287 1.00 0.00 H new ATOM 0 HA LYS A 81 10.066 1.626 0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.846 0.328 -2.027 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.986 1.759 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.006 1.645 -1.674 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.989 2.126 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.989 3.917 -1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.991 3.431 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.031 3.959 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.083 4.334 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.734 6.330 -1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.045 6.162 -1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.964 5.798 -0.379 1.00 0.00 H new ATOM 1308 N PRO A 82 7.809 0.347 0.914 1.00 0.00 N ATOM 1309 CA PRO A 82 6.538 -0.357 0.921 1.00 0.00 C ATOM 1310 C PRO A 82 5.928 -0.363 -0.464 1.00 0.00 C ATOM 1311 O PRO A 82 5.278 0.596 -0.876 1.00 0.00 O ATOM 1312 CB PRO A 82 5.643 0.430 1.876 1.00 0.00 C ATOM 1313 CG PRO A 82 6.454 1.575 2.387 1.00 0.00 C ATOM 1314 CD PRO A 82 7.742 1.633 1.605 1.00 0.00 C ATOM 0 HA PRO A 82 6.657 -1.396 1.228 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.751 0.788 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.306 -0.202 2.698 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.902 2.509 2.279 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.661 1.449 3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.741 2.463 0.899 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.600 1.775 2.263 1.00 0.00 H new ATOM 1322 N PHE A 83 6.157 -1.435 -1.179 1.00 0.00 N ATOM 1323 CA PHE A 83 5.676 -1.570 -2.528 1.00 0.00 C ATOM 1324 C PHE A 83 4.209 -1.935 -2.538 1.00 0.00 C ATOM 1325 O PHE A 83 3.635 -2.283 -1.508 1.00 0.00 O ATOM 1326 CB PHE A 83 6.491 -2.632 -3.272 1.00 0.00 C ATOM 1327 CG PHE A 83 7.955 -2.322 -3.329 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.425 -1.329 -4.169 1.00 0.00 C ATOM 1329 CD2 PHE A 83 8.860 -3.007 -2.532 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.770 -1.025 -4.217 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.199 -2.704 -2.573 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.659 -1.714 -3.417 1.00 0.00 C ATOM 0 H PHE A 83 6.684 -2.240 -0.840 1.00 0.00 H new ATOM 0 HA PHE A 83 5.794 -0.612 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.350 -3.596 -2.784 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.107 -2.729 -4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.732 -0.786 -4.794 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.508 -3.787 -1.872 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.126 -0.250 -4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.893 -3.241 -1.944 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.713 -1.479 -3.452 1.00 0.00 H new ATOM 1342 N VAL A 84 3.657 -1.929 -3.736 1.00 0.00 N ATOM 1343 CA VAL A 84 2.224 -2.110 -3.941 1.00 0.00 C ATOM 1344 C VAL A 84 1.943 -2.222 -5.423 1.00 0.00 C ATOM 1345 O VAL A 84 2.221 -1.292 -6.181 1.00 0.00 O ATOM 1346 CB VAL A 84 1.369 -0.930 -3.410 1.00 0.00 C ATOM 1347 CG1 VAL A 84 1.052 -1.070 -1.934 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.068 0.383 -3.682 1.00 0.00 C ATOM 0 H VAL A 84 4.186 -1.799 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 84 1.952 -3.010 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 84 0.418 -0.948 -3.943 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.452 -0.220 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.496 -1.992 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.980 -1.098 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.459 1.204 -3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.036 0.390 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.213 0.502 -4.756 1.00 0.00 H new ATOM 1358 N LYS A 85 1.435 -3.342 -5.862 1.00 0.00 N ATOM 1359 CA LYS A 85 0.711 -3.322 -7.110 1.00 0.00 C ATOM 1360 C LYS A 85 -0.760 -3.590 -6.857 1.00 0.00 C ATOM 1361 O LYS A 85 -1.127 -4.606 -6.261 1.00 0.00 O ATOM 1362 CB LYS A 85 1.327 -4.338 -8.103 1.00 0.00 C ATOM 1363 CG LYS A 85 0.992 -5.807 -7.841 1.00 0.00 C ATOM 1364 CD LYS A 85 -0.290 -6.226 -8.554 1.00 0.00 C ATOM 1365 CE LYS A 85 -0.821 -7.557 -8.044 1.00 0.00 C ATOM 1366 NZ LYS A 85 0.008 -8.706 -8.490 1.00 0.00 N ATOM 0 H LYS A 85 1.502 -4.248 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 85 0.793 -2.335 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.994 -4.082 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.411 -4.223 -8.087 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.818 -6.435 -8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.883 -5.970 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -1.049 -5.456 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.101 -6.298 -9.625 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.855 -7.538 -6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.845 -7.694 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.394 -9.590 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 0.020 -8.743 -9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.979 -8.591 -8.136 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.599 -2.623 -7.194 1.00 0.00 N ATOM 1381 CA LYS A 86 -3.020 -2.883 -7.220 1.00 0.00 C ATOM 1382 C LYS A 86 -3.320 -4.066 -8.118 1.00 0.00 C ATOM 1383 O LYS A 86 -2.735 -4.229 -9.193 1.00 0.00 O ATOM 1384 CB LYS A 86 -3.830 -1.658 -7.655 1.00 0.00 C ATOM 1385 CG LYS A 86 -3.962 -1.481 -9.153 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.984 -0.409 -9.489 1.00 0.00 C ATOM 1387 CE LYS A 86 -4.695 0.895 -8.758 1.00 0.00 C ATOM 1388 NZ LYS A 86 -3.393 1.483 -9.166 1.00 0.00 N ATOM 0 H LYS A 86 -1.325 -1.674 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.325 -3.119 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.828 -1.728 -7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.364 -0.765 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.995 -1.211 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.258 -2.426 -9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.984 -0.231 -10.564 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.981 -0.761 -9.224 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.494 1.608 -8.959 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.691 0.715 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.265 2.402 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.621 0.843 -8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.380 1.616 -10.197 1.00 0.00 H new ATOM 1402 N GLU A 87 -4.238 -4.881 -7.654 1.00 0.00 N ATOM 1403 CA GLU A 87 -4.660 -6.042 -8.403 1.00 0.00 C ATOM 1404 C GLU A 87 -5.676 -5.585 -9.425 1.00 0.00 C ATOM 1405 O GLU A 87 -5.767 -6.123 -10.531 1.00 0.00 O ATOM 1406 CB GLU A 87 -5.260 -7.111 -7.500 1.00 0.00 C ATOM 1407 CG GLU A 87 -4.440 -7.410 -6.258 1.00 0.00 C ATOM 1408 CD GLU A 87 -4.194 -8.894 -6.075 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -5.060 -9.576 -5.488 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -3.140 -9.389 -6.526 1.00 0.00 O ATOM 0 H GLU A 87 -4.709 -4.761 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.795 -6.493 -8.890 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.258 -6.795 -7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.378 -8.030 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.484 -6.891 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.956 -7.019 -5.381 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.419 -4.553 -9.028 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.469 -3.961 -9.854 1.00 0.00 C ATOM 1419 C ARG A 88 -8.230 -2.912 -9.059 1.00 0.00 C ATOM 1420 O ARG A 88 -7.868 -2.594 -7.922 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.442 -5.038 -10.349 1.00 0.00 C ATOM 1422 CG ARG A 88 -9.050 -5.870 -9.247 1.00 0.00 C ATOM 1423 CD ARG A 88 -9.894 -6.982 -9.826 1.00 0.00 C ATOM 1424 NE ARG A 88 -10.647 -7.663 -8.788 1.00 0.00 N ATOM 1425 CZ ARG A 88 -10.579 -8.969 -8.536 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -9.798 -9.759 -9.267 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -11.308 -9.483 -7.556 1.00 0.00 N ATOM 0 H ARG A 88 -6.309 -4.102 -8.120 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.999 -3.490 -10.717 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.243 -4.558 -10.912 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.917 -5.697 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.261 -6.291 -8.624 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.662 -5.239 -8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -10.580 -6.573 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.254 -7.697 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.273 -7.101 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -9.244 -9.366 -10.028 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.752 -10.758 -9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.915 -8.879 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.262 -10.482 -7.356 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.279 -2.379 -9.662 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.120 -1.387 -9.016 1.00 0.00 C ATOM 1443 C ILE A 89 -11.574 -1.815 -9.092 1.00 0.00 C ATOM 1444 O ILE A 89 -12.175 -1.836 -10.166 1.00 0.00 O ATOM 1445 CB ILE A 89 -9.967 0.010 -9.653 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -8.531 0.511 -9.497 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -10.942 0.990 -9.012 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.157 0.825 -8.065 1.00 0.00 C ATOM 0 H ILE A 89 -9.570 -2.621 -10.609 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.800 -1.319 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.195 -0.064 -10.716 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.847 -0.243 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.398 1.406 -10.104 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.824 1.972 -9.470 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.963 0.639 -9.163 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -10.737 1.061 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.125 1.175 -8.027 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.818 1.600 -7.678 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.258 -0.074 -7.457 1.00 0.00 H new ATOM 1460 N GLU A 90 -12.125 -2.179 -7.957 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.491 -2.667 -7.891 1.00 0.00 C ATOM 1462 C GLU A 90 -14.379 -1.715 -7.120 1.00 0.00 C ATOM 1463 O GLU A 90 -13.976 -0.621 -6.770 1.00 0.00 O ATOM 1464 CB GLU A 90 -13.552 -4.066 -7.277 1.00 0.00 C ATOM 1465 CG GLU A 90 -13.087 -5.152 -8.228 1.00 0.00 C ATOM 1466 CD GLU A 90 -13.370 -6.544 -7.705 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -12.621 -7.013 -6.824 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -14.332 -7.178 -8.182 1.00 0.00 O ATOM 0 H GLU A 90 -11.646 -2.147 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.862 -2.726 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.936 -4.089 -6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.576 -4.276 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.581 -5.022 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.016 -5.044 -8.402 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.613 -2.127 -6.954 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.610 -1.397 -6.186 1.00 0.00 C ATOM 1477 C LYS A 91 -16.888 -2.202 -4.932 1.00 0.00 C ATOM 1478 O LYS A 91 -16.398 -3.327 -4.814 1.00 0.00 O ATOM 1479 CB LYS A 91 -17.909 -1.230 -6.969 1.00 0.00 C ATOM 1480 CG LYS A 91 -17.715 -0.996 -8.458 1.00 0.00 C ATOM 1481 CD LYS A 91 -19.039 -1.061 -9.199 1.00 0.00 C ATOM 1482 CE LYS A 91 -19.663 -2.445 -9.093 1.00 0.00 C ATOM 1483 NZ LYS A 91 -21.008 -2.504 -9.721 1.00 0.00 N ATOM 0 H LYS A 91 -15.966 -2.996 -7.355 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.233 -0.401 -5.955 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.521 -2.121 -6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -18.467 -0.392 -6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -17.252 -0.022 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -17.032 -1.744 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -19.724 -0.318 -8.790 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -18.884 -0.809 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -19.009 -3.174 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -19.742 -2.727 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -21.394 -3.465 -9.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -21.641 -1.827 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.931 -2.261 -10.729 1.00 0.00 H new ATOM 1497 N LEU A 92 -17.631 -1.655 -3.984 1.00 0.00 N ATOM 1498 CA LEU A 92 -17.956 -2.409 -2.784 1.00 0.00 C ATOM 1499 C LEU A 92 -18.881 -3.564 -3.148 1.00 0.00 C ATOM 1500 O LEU A 92 -19.671 -3.471 -4.093 1.00 0.00 O ATOM 1501 CB LEU A 92 -18.628 -1.521 -1.740 1.00 0.00 C ATOM 1502 CG LEU A 92 -18.590 -2.052 -0.305 1.00 0.00 C ATOM 1503 CD1 LEU A 92 -17.156 -2.182 0.178 1.00 0.00 C ATOM 1504 CD2 LEU A 92 -19.382 -1.140 0.617 1.00 0.00 C ATOM 0 H LEU A 92 -18.014 -0.710 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 92 -17.030 -2.794 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -18.151 -0.541 -1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -19.669 -1.375 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 92 -19.047 -3.041 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -17.149 -2.561 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -16.615 -2.873 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -16.673 -1.205 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -19.346 -1.531 1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.951 -0.139 0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -20.418 -1.095 0.282 1.00 0.00 H new ATOM 1516 N GLU A 93 -18.784 -4.630 -2.386 1.00 0.00 N ATOM 1517 CA GLU A 93 -19.465 -5.868 -2.707 1.00 0.00 C ATOM 1518 C GLU A 93 -20.703 -6.058 -1.833 1.00 0.00 C ATOM 1519 O GLU A 93 -20.598 -6.707 -0.775 1.00 0.00 O ATOM 1520 CB GLU A 93 -18.483 -7.032 -2.546 1.00 0.00 C ATOM 1521 CG GLU A 93 -17.320 -6.970 -3.527 1.00 0.00 C ATOM 1522 CD GLU A 93 -16.227 -7.983 -3.234 1.00 0.00 C ATOM 1523 OE1 GLU A 93 -15.320 -7.661 -2.443 1.00 0.00 O ATOM 1524 OE2 GLU A 93 -16.257 -9.092 -3.811 1.00 0.00 O ATOM 1525 OXT GLU A 93 -21.782 -5.556 -2.215 1.00 0.00 O ATOM 0 H GLU A 93 -18.233 -4.665 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.811 -5.833 -3.740 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.093 -7.033 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.017 -7.972 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.697 -7.135 -4.536 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -16.891 -5.968 -3.507 1.00 0.00 H new TER 1532 GLU A 93